R_OH_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.14859451	0.792979243	0.402886371
Mn2	0.63984321	0.78827011	0.410674242
Mn3	0.607328053	0.274207829	0.400740596
Mn4	0.098898613	0.29098337	0.378023691
Mn5	0.362158332	0.525012273	0.359262064
Mn6	0.859893739	0.529676621	0.358475252
Mn7	0.385062148	1.003497686	0.352835686
Mn8	0.890298377	0.997488973	0.352918568
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.396446261	0.917880979	0.403487923
O2	0.888192308	0.910609494	0.4026374
O3	0.608109809	0.631829586	0.380496988
O4	0.110417872	0.621719342	0.379836826
O5	0.351800533	0.398773178	0.399924862
O6	0.860243045	0.403451334	0.399803553
O7	0.137484278	0.097979477	0.37299849
O8	0.641763424	0.117609598	0.36996761
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.607328053	0.274207829	0.430740596
H1	0.607328053	0.274207829	0.450740596
			
R_OOH_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.248262928	0.77763079	0.384396423
Mn2	0.693165383	0.793803851	0.414394707
Mn3	0.564130434	0.270049516	0.414728755
Mn4	0.002686887	0.271867982	0.378576093
Mn5	0.33988625	0.505659171	0.358968881
Mn6	0.832163602	0.542417765	0.360581959
Mn7	0.426117897	1.031326614	0.35508263
Mn8	0.917632038	0.990466127	0.352407629
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.439564219	0.922238114	0.400654968
O2	0.969430756	0.872618462	0.394934462
O3	0.526248333	0.649383222	0.385145216
O4	0.096692997	0.608139251	0.383158205
O5	0.300275943	0.359831827	0.394112907
O6	0.80740124	0.404335	0.401141574
O7	0.153563039	0.105866059	0.372611014
O8	0.725345614	0.143916122	0.375459795
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.611798341	0.186148727	0.460090925
O58	0.611798341	0.186148727	0.490090925
H1	0.611798341	0.186148727	0.510090925
			
R_O_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.248262928	0.77763079	0.384396423
Mn2	0.693165383	0.793803851	0.414394707
Mn3	0.564130434	0.270049516	0.414728755
Mn4	0.002686887	0.271867982	0.378576093
Mn5	0.33988625	0.505659171	0.358968881
Mn6	0.832163602	0.542417765	0.360581959
Mn7	0.426117897	1.031326614	0.35508263
Mn8	0.917632038	0.990466127	0.352407629
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.439564219	0.922238114	0.400654968
O2	0.969430756	0.872618462	0.394934462
O3	0.526248333	0.649383222	0.385145216
O4	0.096692997	0.608139251	0.383158205
O5	0.300275943	0.359831827	0.394112907
O6	0.80740124	0.404335	0.401141574
O7	0.153563039	0.105866059	0.372611014
O8	0.725345614	0.143916122	0.375459795
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.611798341	0.186148727	0.460090925
			
alpha_OH_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.271018348	0.062192365	0.653580191
Mn2	0.068297095	0.519748646	0.655345789
Mn3	0.278976443	0.560784646	0.657317511
Mn4	0.562870024	0.525469493	0.657406613
Mn5	0.315977034	0.80877617	0.65717225
Mn6	0.814672641	0.315565347	0.655333259
Mn7	0.052169942	0.298032847	0.651756054
Mn8	0.553277664	0.789143634	0.654990701
Mn9	0.063370956	0.801077068	0.65344328
Mn10	0.539306681	0.308246978	0.653341247
Mn11	0.292033611	0.286726889	0.650305308
Mn12	0.538684013	0.076655628	0.648961978
Mn13	0.778406294	0.783147726	0.649956402
Mn14	0.833020105	0.036455184	0.649265868
Mn15	0.038530876	0.072623734	0.651637954
Mn16	0.82634007	0.536883065	0.652961176
Mn17	0.388111924	0.131478377	0.595138704
Mn18	0.650632225	0.139868877	0.60063019
Mn19	0.886294197	0.862136299	0.602607019
Mn20	0.609281965	0.393774034	0.59958917
Mn21	0.14664557	0.646754886	0.598937466
Mn22	0.607236153	0.891947294	0.598690227
Mn23	0.39752335	0.857161437	0.599032947
Mn24	0.384288002	0.632391264	0.594655233
Mn25	0.88021428	0.632783971	0.597632372
Mn26	0.884419496	0.130881887	0.595684376
Mn27	0.158407072	0.367912324	0.591134028
Mn28	0.372680989	0.40509082	0.590859533
Mn29	0.625728633	0.618849496	0.592449403
Mn30	0.157551977	0.871723185	0.591140739
Mn31	0.875862173	0.40638384	0.591722221
Mn32	0.117849851	0.121199542	0.590939244
Mn33	0.945113891	0.727740798	0.549252857
Mn34	0.729328042	0.192414038	0.542851769
Mn35	0.941183253	0.225290618	0.542535291
Mn36	0.223702803	0.194281207	0.542419709
Mn37	0.976111611	0.48300098	0.542208439
Mn38	0.478932806	0.977781485	0.540446476
Mn39	0.718046826	0.963381177	0.538195091
Mn40	0.217705554	0.46477273	0.53832246
Mn41	0.719519005	0.465368651	0.538947423
Mn42	0.21577962	0.966282035	0.537611146
Mn43	0.959379854	0.952818304	0.532793743
Mn44	0.212805517	0.733604523	0.533034743
Mn45	0.459282176	0.448901999	0.534554822
Mn46	0.494086855	0.701507639	0.534895878
Mn47	0.709106361	0.737195747	0.53322954
Mn48	0.49522034	0.200852835	0.534156759
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.998206762	0.437446176	0.671433332
O2	0.192456546	0.211684302	0.670788581
O3	0.966636711	0.245312967	0.671629872
O4	0.191838494	0.977206625	0.663961625
O5	0.233876317	0.438322248	0.664299667
O6	0.488257615	0.689112855	0.6651006
O7	0.71368491	0.691940844	0.663841668
O8	0.230985638	0.732107071	0.665214856
O9	0.440674985	0.472822326	0.665082644
O10	0.445886552	0.240548976	0.661887142
O11	0.991151455	0.963634696	0.662538563
O12	0.731608144	0.478636142	0.665523021
O13	0.113470638	0.637211969	0.648329132
O14	0.651639444	0.359979932	0.64796911
O15	0.391383382	0.89979644	0.64769564
O16	0.66138894	0.136226932	0.644928844
O17	0.611620929	0.903031351	0.651452042
O18	0.876717599	0.861437826	0.645103211
O19	0.365682524	0.121181782	0.636970007
O20	0.910350808	0.620328045	0.642060903
O21	0.872251665	0.162001421	0.640863416
O22	0.136947599	0.360101243	0.630476215
O23	0.906363813	0.382709934	0.630851891
O24	0.110883845	0.153509552	0.630322568
O25	0.302170398	0.57311802	0.615269435
O26	0.523911408	0.550535936	0.615845684
O27	0.326852788	0.772595047	0.61553091
O28	0.565702682	0.768513338	0.609403914
O29	0.07444655	0.809270453	0.609546237
O30	0.569031983	0.058514132	0.606157681
O31	0.516323525	0.322145599	0.609353557
O32	0.324141528	0.296587587	0.60197637
O33	0.832024129	0.022468939	0.60590798
O34	0.765488923	0.800848073	0.606607231
O35	0.780668189	0.571603072	0.604390587
O36	0.047615008	0.028241061	0.602681742
O37	0.721024519	0.23649023	0.589198842
O38	0.985916204	0.690240195	0.591624732
O39	0.446864498	0.965890411	0.587370134
O40	0.996362137	0.471184563	0.58453274
O41	0.250428454	0.942832882	0.581427107
O42	0.21248017	0.187727617	0.58298577
O43	0.932733994	0.243612909	0.584081971
O44	0.695034804	0.456289283	0.582329033
O45	0.208993994	0.500417538	0.579358149
O46	0.240628178	0.714300139	0.573467714
O47	0.446833688	0.488271649	0.573541684
O48	0.469790036	0.693276015	0.57418476
O49	0.649225169	0.120097977	0.560756384
O50	0.86012584	0.881304357	0.562710617
O51	0.63646205	0.899795687	0.556789725
O52	0.845415879	0.658984128	0.555125964
O53	0.894061999	0.097148869	0.552751871
O54	0.165578983	0.358057836	0.549495096
O55	0.394409376	0.353531073	0.546704377
O56	0.880899848	0.415982393	0.550370942
O57	0.103461039	0.125410404	0.549267808
O58	0.116169456	0.901913261	0.544885932
O59	0.658031148	0.630084456	0.545612354
O60	0.410355237	0.139264392	0.553665567
O61	0.777742896	0.301971433	0.531403273
O62	0.319038781	0.028397467	0.530500655
O63	0.037026416	0.584477386	0.529048847
O64	0.334936985	0.809982121	0.528230387
O65	0.269324709	0.568685677	0.526877109
O66	0.558889504	0.511694787	0.52749476
O67	0.021988637	0.786822985	0.526191536
O68	0.588715964	0.270208805	0.521450671
O69	0.54425148	0.831682476	0.520882748
O70	0.797162512	0.025565688	0.518015314
O71	0.572486637	0.048102177	0.515728777
O72	0.798859336	0.805110846	0.513302607
O73	0.965447109	0.233831233	0.503473825
O74	0.196076442	0.217166479	0.502816774
O75	0.993598049	0.439312944	0.502600385
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.538684013	0.076655628	0.668961978
H1	0.538684013	0.076655628	0.688961978
			
alpha_OOH_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.270923551	0.06248692	0.653230468
Mn2	0.069718272	0.51868072	0.655059531
Mn3	0.280068397	0.559486455	0.656873808
Mn4	0.562835042	0.525581238	0.657038211
Mn5	0.315557454	0.809344769	0.65658603
Mn6	0.815046622	0.316434853	0.655200563
Mn7	0.052290612	0.298498186	0.651464879
Mn8	0.552499747	0.787053865	0.653007708
Mn9	0.064279631	0.800995078	0.653233578
Mn10	0.541802061	0.30725907	0.652547422
Mn11	0.292705446	0.28565072	0.649311934
Mn12	0.540836293	0.072582634	0.649279086
Mn13	0.782422591	0.782776682	0.649029139
Mn14	0.834873997	0.037710685	0.648878566
Mn15	0.039173608	0.073110283	0.651486537
Mn16	0.825850674	0.538226273	0.652732269
Mn17	0.386792727	0.132201722	0.595189361
Mn18	0.649701422	0.144118454	0.601147187
Mn19	0.888729919	0.8622856	0.602174802
Mn20	0.609614657	0.394189821	0.599091116
Mn21	0.147348889	0.646734048	0.598581756
Mn22	0.612312204	0.892748606	0.59942477
Mn23	0.3984429	0.857079555	0.598596704
Mn24	0.384149876	0.632425362	0.594178122
Mn25	0.881934544	0.631538542	0.597148834
Mn26	0.885094111	0.13109937	0.595391588
Mn27	0.157833889	0.368668742	0.590836963
Mn28	0.372513867	0.405294268	0.590502039
Mn29	0.625039829	0.617028615	0.592132039
Mn30	0.158264823	0.871646594	0.590904114
Mn31	0.875111845	0.406783231	0.591618067
Mn32	0.11819798	0.120919322	0.590772012
Mn33	0.945080685	0.727938609	0.548960837
Mn34	0.729108854	0.191960289	0.542858118
Mn35	0.941164668	0.225377858	0.54241666
Mn36	0.223167055	0.194464949	0.542362002
Mn37	0.975326853	0.483792985	0.541903064
Mn38	0.47832746	0.977661702	0.541234952
Mn39	0.717140264	0.963938614	0.538711442
Mn40	0.21751735	0.464780918	0.538149921
Mn41	0.719866546	0.465080456	0.53871191
Mn42	0.21584972	0.966360921	0.5374913
Mn43	0.959160465	0.952651094	0.532684667
Mn44	0.21250303	0.733747203	0.532896508
Mn45	0.459131049	0.448816133	0.534363211
Mn46	0.493969047	0.701044658	0.534656632
Mn47	0.709294594	0.736621887	0.533018528
Mn48	0.495221712	0.20033915	0.534405605
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.998984248	0.437026845	0.671260816
O2	0.192600139	0.212516623	0.670263553
O3	0.966957248	0.245977529	0.671439319
O4	0.192263558	0.976997782	0.66370843
O5	0.235696124	0.437056575	0.663496908
O6	0.487733209	0.689242766	0.664592312
O7	0.71237229	0.694329055	0.662765209
O8	0.231225807	0.732581753	0.664702496
O9	0.441958078	0.471598811	0.664440552
O10	0.448021985	0.240305296	0.658825845
O11	0.991763054	0.963938562	0.662253703
O12	0.73098646	0.47995161	0.665198416
O13	0.114156457	0.637048286	0.648173452
O14	0.652331853	0.360886116	0.647412552
O15	0.390500333	0.899194947	0.646546293
O16	0.665955611	0.141074361	0.64371857
O17	0.608944611	0.899896863	0.642485063
O18	0.878228157	0.862811936	0.644563176
O19	0.360377755	0.1236592	0.635838218
O20	0.912763831	0.618131654	0.641972255
O21	0.873315489	0.162314243	0.640774367
O22	0.136088642	0.361011169	0.629999462
O23	0.906055112	0.383163931	0.630669896
O24	0.110489701	0.153708439	0.630102599
O25	0.30255641	0.573141312	0.614862114
O26	0.524237321	0.550676056	0.615241789
O27	0.326847493	0.772279798	0.614929773
O28	0.56232718	0.763815832	0.608824903
O29	0.074976284	0.809464659	0.60925439
O30	0.559475092	0.072947231	0.608419236
O31	0.516722571	0.323685685	0.608792071
O32	0.322767478	0.297514955	0.601357633
O33	0.832918688	0.023020191	0.60547513
O34	0.773127106	0.79652449	0.605300845
O35	0.780581744	0.571629011	0.603982111
O36	0.048213126	0.028003544	0.602376072
O37	0.721756211	0.237164317	0.58882981
O38	0.988477264	0.689184001	0.590900266
O39	0.447697938	0.966710715	0.58800971
O40	0.995446107	0.472806795	0.584383896
O41	0.250960634	0.9430295	0.581067285
O42	0.212167706	0.188039932	0.582819142
O43	0.932741054	0.243549937	0.583908132
O44	0.695947847	0.45512675	0.581737357
O45	0.20901887	0.500758431	0.57895386
O46	0.240433836	0.714159216	0.573174894
O47	0.446439181	0.488593822	0.573187341
O48	0.468710073	0.692263312	0.573511225
O49	0.648461433	0.120157628	0.561258992
O50	0.860986428	0.881866345	0.562393747
O51	0.635358205	0.90037247	0.558548894
O52	0.846009811	0.657926081	0.554396048
O53	0.894199172	0.097128185	0.552341672
O54	0.164627779	0.358482443	0.549307361
O55	0.394344156	0.353414838	0.546567933
O56	0.881561508	0.41554244	0.550163199
O57	0.103397899	0.125708956	0.549086581
O58	0.11650125	0.901985654	0.544671943
O59	0.658169358	0.629716022	0.545362853
O60	0.410565886	0.138720139	0.554072865
O61	0.777554521	0.301879651	0.5312369
O62	0.319057759	0.028382067	0.530589782
O63	0.036719802	0.584876799	0.528627833
O64	0.335133746	0.81019453	0.52807426
O65	0.269020406	0.568775993	0.526738731
O66	0.558932312	0.511440023	0.527360789
O67	0.022026466	0.786993986	0.525979979
O68	0.588698266	0.26966027	0.521499807
O69	0.545023323	0.83224219	0.521115618
O70	0.796037115	0.025535777	0.518002159
O71	0.572004172	0.047427806	0.516079754
O72	0.796199578	0.80667917	0.513459134
O73	0.965432575	0.233920287	0.503406987
O74	0.19615546	0.216999622	0.50280179
O75	0.993583158	0.43917573	0.502483379
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.555603948	0.034244573	0.684440882
O159	0.555603948	0.034244573	0.714440882
H1	0.555603948	0.034244573	0.734440882
			
alpha_O_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.270491724	0.062612956	0.653122159
Mn2	0.069867989	0.518442919	0.655087439
Mn3	0.280114344	0.559326771	0.656869771
Mn4	0.562865808	0.525863532	0.657028972
Mn5	0.315540514	0.809207114	0.656650146
Mn6	0.815063274	0.316585663	0.655204442
Mn7	0.052242287	0.298542953	0.651487128
Mn8	0.551952735	0.788022825	0.653063994
Mn9	0.064400395	0.800946558	0.653252284
Mn10	0.54205926	0.306655564	0.652420527
Mn11	0.293143813	0.28535589	0.648968726
Mn12	0.54113846	0.070379258	0.649617535
Mn13	0.782144277	0.783785782	0.649113354
Mn14	0.834928553	0.037744504	0.648814473
Mn15	0.038902731	0.073235189	0.651493066
Mn16	0.825823291	0.538648007	0.65284612
Mn17	0.386736472	0.132203041	0.595158997
Mn18	0.649454309	0.144384687	0.601205673
Mn19	0.888638543	0.862317551	0.602140484
Mn20	0.60957058	0.394231622	0.599096097
Mn21	0.14716068	0.646808447	0.598591794
Mn22	0.612516274	0.893253647	0.599476101
Mn23	0.398594817	0.856836684	0.598642969
Mn24	0.384040771	0.632482491	0.594204501
Mn25	0.88183475	0.631378144	0.597195807
Mn26	0.885023447	0.131068783	0.595392806
Mn27	0.157616575	0.368856446	0.590821752
Mn28	0.372271832	0.405596412	0.590471428
Mn29	0.624935531	0.617034099	0.59217107
Mn30	0.158214991	0.871656359	0.590943134
Mn31	0.875055089	0.406674736	0.591646181
Mn32	0.118143568	0.120919084	0.590779628
Mn33	0.94508497	0.727806794	0.548964433
Mn34	0.729135328	0.191830484	0.542862139
Mn35	0.941150018	0.225311684	0.542418191
Mn36	0.223042605	0.194507439	0.54236742
Mn37	0.975165279	0.483853429	0.541885621
Mn38	0.478331047	0.977443656	0.541323342
Mn39	0.717065937	0.963907349	0.53879375
Mn40	0.217450868	0.46484737	0.538143826
Mn41	0.719867075	0.465025475	0.538719402
Mn42	0.215897321	0.966298671	0.537515916
Mn43	0.959167057	0.952579961	0.532689647
Mn44	0.21259487	0.733748358	0.532907563
Mn45	0.459108884	0.44883822	0.534365463
Mn46	0.493981047	0.701049934	0.534674174
Mn47	0.709451751	0.736339478	0.532972824
Mn48	0.495226087	0.200283738	0.534461439
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.998957523	0.436923668	0.671330944
O2	0.192803872	0.212574357	0.670238081
O3	0.967033192	0.245964118	0.671491152
O4	0.191878094	0.977192708	0.663725893
O5	0.236522826	0.436343389	0.663441601
O6	0.487361879	0.689637266	0.664686935
O7	0.711852484	0.695227521	0.662630491
O8	0.231577797	0.732213212	0.664811004
O9	0.441813558	0.470889291	0.66444272
O10	0.449705891	0.236791167	0.659193636
O11	0.991314215	0.964220089	0.662291631
O12	0.73134348	0.479862528	0.665345108
O13	0.114188799	0.636830678	0.648250942
O14	0.652318512	0.361083012	0.64738748
O15	0.389981142	0.899604321	0.646569794
O16	0.666254751	0.141510016	0.643575703
O17	0.607815018	0.901915277	0.641957207
O18	0.877378248	0.863620154	0.644567601
O19	0.359751356	0.123757812	0.635458306
O20	0.912852576	0.61788027	0.642064113
O21	0.87322188	0.162402492	0.640784002
O22	0.135882105	0.361271405	0.629978499
O23	0.906095748	0.383009162	0.630694731
O24	0.11022439	0.1538802	0.630110819
O25	0.302354172	0.573277579	0.61487363
O26	0.524131247	0.550629956	0.615280655
O27	0.326810848	0.772171239	0.61499536
O28	0.562031315	0.763571579	0.608912842
O29	0.074841722	0.809456656	0.609293277
O30	0.558597239	0.074277899	0.608532735
O31	0.5163272	0.324084987	0.608772856
O32	0.322607876	0.29780297	0.601416187
O33	0.832949415	0.022963802	0.605436468
O34	0.77307559	0.796139886	0.605288407
O35	0.780478716	0.571475274	0.604024182
O36	0.048162906	0.027972632	0.60243097
O37	0.721734336	0.237282838	0.588826732
O38	0.988342899	0.689132783	0.590912767
O39	0.447973726	0.966533546	0.588104595
O40	0.995233132	0.472827056	0.584372695
O41	0.250978892	0.943006426	0.581154082
O42	0.211984211	0.188190379	0.582806951
O43	0.932774867	0.243461296	0.583911085
O44	0.695893064	0.45515027	0.581734313
O45	0.208784921	0.500914141	0.578942597
O46	0.240376778	0.714253679	0.573199919
O47	0.446311457	0.488796554	0.573176061
O48	0.468673729	0.69221981	0.573532878
O49	0.648386154	0.120122209	0.561293997
O50	0.860932336	0.881821041	0.56236558
O51	0.635321065	0.899980983	0.558723195
O52	0.846089371	0.657626227	0.554333953
O53	0.89415723	0.097035943	0.552371782
O54	0.164606656	0.358531882	0.549311061
O55	0.394318043	0.353382011	0.546589287
O56	0.88155816	0.415451108	0.55016568
O57	0.103424209	0.125582175	0.549100959
O58	0.116488757	0.901985628	0.544701033
O59	0.658138519	0.629712785	0.54538462
O60	0.410475115	0.138648558	0.554223017
O61	0.777556002	0.301804204	0.53124845
O62	0.319129656	0.028349525	0.530619871
O63	0.036766085	0.584767838	0.528620104
O64	0.33513113	0.810166705	0.528088341
O65	0.269060078	0.568760794	0.526752044
O66	0.55891979	0.511448228	0.527360117
O67	0.022047327	0.786922637	0.52599615
O68	0.588686406	0.269617055	0.521522175
O69	0.545161729	0.832233566	0.521128714
O70	0.795959617	0.025469809	0.5180153
O71	0.571866401	0.047350449	0.51615051
O72	0.795947126	0.806736964	0.51347542
O73	0.965444082	0.233876256	0.503409707
O74	0.19615406	0.21698595	0.502805057
O75	0.993594351	0.439127518	0.50247688
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.556650968	0.033134947	0.687085249
H1	0.522382904	0.102307808	0.697993389
			
beta_OH_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922816956	0.249165957	0.499267748
Mn57	0.801124356	-0.000114323	0.498991822
Mn58	0.673810074	0.247972288	0.499443209
Mn59	0.679171624	0.751620396	0.500064942
Mn60	0.555555459	0.507133824	0.499980457
Mn61	0.296154116	0.507935028	0.500268409
Mn62	0.050410843	0.001098466	0.498680288
Mn63	0.168445453	0.748257752	0.501621247
Mn64	0.42799118	0.747451433	0.501762649
Mn65	0.424497491	0.502232914	0.58088129
Mn66	0.173815648	0.501313838	0.580902574
Mn67	0.050108385	0.251010686	0.580245259
Mn68	0.299279987	0.750415093	0.581920603
Mn69	0.550411833	0.750708236	0.58201565
Mn70	0.674709092	0.500758111	0.581028978
Mn71	0.673431642	0.001107109	0.579808131
Mn72	0.798793552	0.250483719	0.580749952
Mn73	0.925123318	0.001466623	0.580190276
Mn74	0.924288501	0.500277994	0.58104477
Mn75	0.800063948	0.750985554	0.58198208
Mn76	0.048778906	0.75084919	0.582295175
Mn77	0.547963893	0.251707982	0.57942881
Mn78	0.176818957	1.000695687	0.578862344
Mn79	0.422896395	0.999856738	0.578620189
Mn80	0.299969421	0.252460767	0.578494261
Mn81	0.299369414	0.500668986	0.661743767
Mn82	0.424447348	0.750566454	0.663357555
Mn83	0.174614967	0.750659919	0.66344493
Mn84	0.54944786	0.500223386	0.661876333
Mn85	0.049792104	0.00062443	0.660858778
Mn86	0.799264174	1.000613445	0.661132876
Mn87	0.924510481	0.25008635	0.662137839
Mn88	0.924337608	0.750713977	0.663499332
Mn89	0.799396605	0.500205992	0.66220051
Mn90	0.674487215	0.750530904	0.663435437
Mn91	0.673913039	0.2500903	0.661948523
Mn92	0.549281856	0.000434011	0.660704827
Mn93	0.299585509	0.000524531	0.660701598
Mn94	0.049217669	0.50033647	0.662030864
Mn95	0.174943905	0.250343886	0.66154646
Mn96	0.424149537	0.250225978	0.661351168
Mn97	0.424291797	0.000697445	0.741475549
Mn98	0.175097214	0.000342224	0.741637694
Mn99	0.049169897	0.751121671	0.748808231
Mn100	0.299524624	0.251143505	0.746985269
Mn101	0.549461585	0.251203307	0.74726294
Mn102	0.673697866	1.000608643	0.74161267
Mn103	0.674806921	0.500898086	0.742450661
Mn104	0.799181192	0.751326369	0.748936212
Mn105	0.924174497	0.500751042	0.743222425
Mn106	0.924714806	1.000424085	0.74116396
Mn107	0.799522085	0.250426798	0.747682289
Mn108	0.049632276	0.250454022	0.747358948
Mn109	0.549280237	0.751063355	0.748701697
Mn110	0.173848013	0.500953111	0.741792431
Mn111	0.424631118	0.500923562	0.741808199
Mn112	0.299323173	0.750624499	0.748621807
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
O103	0.92181234	0.597639125	0.500187788
O104	0.678898008	0.599611303	0.500088542
O105	0.427651527	0.894202248	0.498149809
O106	0.673284673	0.094093663	0.499064961
O107	0.674979986	0.404875723	0.499882928
O108	0.924731885	0.097214707	0.499610623
O109	0.169844489	0.598811272	0.500548927
O110	0.426229532	0.600476462	0.500567479
O111	0.680136928	0.900881954	0.499360408
O112	0.179203353	0.088451997	0.497204095
O113	0.302569676	0.259465491	0.527446972
O114	0.543701556	0.254354396	0.528544664
O115	0.050201502	0.252026821	0.530041217
O116	0.798434281	0.250826658	0.530903917
O117	0.801664064	0.751456601	0.531967256
O118	0.553601301	0.750276517	0.532065451
O119	0.045389252	0.749603945	0.532358548
O120	0.29876564	0.748318416	0.532530756
O121	0.298799873	0.500825095	0.549553126
O122	0.048299804	0.50044371	0.549314811
O123	0.550301446	0.501961846	0.549458166
O124	0.799689643	0.500501789	0.549472096
O125	0.799866329	-0.000777943	0.548691623
O126	0.049867548	1.000287846	0.548338114
O127	0.548603902	-0.001997875	0.547531002
O128	0.30045339	0.996521157	0.546412725
O129	0.17608875	0.154720891	0.57801055
O130	0.67385646	0.347801581	0.580683333
O131	0.424906765	0.65407267	0.581558879
O132	0.173692231	0.653834308	0.581758843
O133	0.924735385	0.154218752	0.579606032
O134	0.674682495	0.847932581	0.58195057
O135	0.672903391	0.154288732	0.578575885
O136	0.424450921	0.349265739	0.580614169
O137	0.675419694	0.653850916	0.581753994
O138	0.924283731	0.653696005	0.582218476
O139	0.924164436	0.347391514	0.580766779
O140	0.174393265	0.348456867	0.580339569
O141	0.924673644	0.848246621	0.582406733
O142	0.42449944	0.847093957	0.581439301
O143	0.174631773	0.847404206	0.581367507
O144	0.423411028	0.154501487	0.577894206
O145	0.299230808	0.501592094	0.612403093
O146	0.549447065	0.501661946	0.612452818
O147	0.798901288	0.004271897	0.611605572
O148	0.049298851	0.500136295	0.612525414
O149	0.799330536	0.500217966	0.612639709
O150	0.051090286	0.00340807	0.611373974
O151	0.548265481	0.003629938	0.611087422
O152	0.300050008	0.003195592	0.610740376
O153	0.299438395	0.749621196	0.631649766
O154	0.549587949	0.74922899	0.631571347
O155	0.049553864	0.750194415	0.631704216
O156	0.799157197	0.248518492	0.630225681
O157	0.049555918	0.249060671	0.629917476
O158	0.799399111	0.749455621	0.631638882
O159	0.549287644	0.248186453	0.629561348
O160	0.299420867	0.248815187	0.629233123
O161	0.424741314	0.59672149	0.663823998
O162	0.174667729	0.904169156	0.662292012
O163	0.424417208	0.904000283	0.661991995
O164	0.924473029	0.904363643	0.662481935
O165	0.174576365	0.404091282	0.662825623
O166	0.924443606	0.403683823	0.662850828
O167	0.924563732	0.096684515	0.662789642
O168	0.674120332	0.096709302	0.662795673
O169	0.424201089	0.403978034	0.662356457
O170	0.674459947	0.596683539	0.664160604
O171	0.674365334	0.904146362	0.662161284
O172	0.924295553	0.596764492	0.663733795
O173	0.174761422	0.096901023	0.662306637
O174	0.424390204	0.096756189	0.662411118
O175	0.674235343	0.403686233	0.66258198
O176	0.17402285	0.596916469	0.663632088
O177	0.299563216	0.75152675	0.695406917
O178	0.549425454	0.751880845	0.69539141
O179	0.049473362	0.751505837	0.695464635
O180	0.799376426	0.751652437	0.695465122
O181	0.799227626	0.250568809	0.694087461
O182	0.54880396	0.250810574	0.693669172
O183	0.04987833	0.250481842	0.6938541
O184	0.29963727	0.25066933	0.693457464
O185	0.299569728	-0.00030085	0.711972668
O186	0.050326897	0.999648864	0.712214335
O187	0.549078139	-0.00127544	0.712067709
O188	0.79886374	0.999377714	0.712325294
O189	0.799930486	0.499824028	0.713223182
O190	0.048172408	0.500356574	0.713034901
O191	0.549915029	0.497875216	0.7129134
O192	0.299452334	0.501767121	0.71280707
O193	0.173859597	0.648890015	0.75600226
O194	0.67390844	0.853256974	0.756142479
O195	0.424395038	0.149759005	0.75468023
O196	0.175142748	0.14933116	0.754803451
O197	0.924056227	0.650177704	0.756854306
O198	0.674795188	0.352312053	0.755580181
O199	0.67436421	0.649433945	0.756307635
O200	0.424056436	0.852532191	0.756124754
O201	0.673873613	0.149052574	0.754872695
O202	0.924746986	0.148199502	0.754673076
O203	0.924418222	0.853755291	0.75581385
O204	0.174686001	0.852794314	0.756149772
O205	0.924621785	0.351319661	0.755912206
O206	0.424214834	0.353176478	0.754848839
O207	0.174386074	0.352835624	0.754732067
O208	0.424718384	0.648679658	0.755805344
O209	0.549461585	0.251203307	0.77726294
H1	0.549461585	0.251203307	0.79726294
			
beta_OOH_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922719816	0.2491267	0.499291028
Mn57	0.801065931	-0.000128891	0.498953566
Mn58	0.673697499	0.24790254	0.499564247
Mn59	0.679123191	0.751598427	0.499986002
Mn60	0.555506676	0.507181595	0.499936117
Mn61	0.296142797	0.50795726	0.500220416
Mn62	0.050406502	0.001089016	0.498636041
Mn63	0.168447019	0.748267314	0.501549609
Mn64	0.427957335	0.747479719	0.50167683
Mn65	0.424325495	0.502558864	0.580812495
Mn66	0.173784157	0.50151442	0.580832067
Mn67	0.049943878	0.251357508	0.580198267
Mn68	0.299121543	0.750750874	0.581709467
Mn69	0.550145089	0.751017472	0.581782942
Mn70	0.674386116	0.501144126	0.580951275
Mn71	0.67329019	0.001385688	0.579769408
Mn72	0.798223224	0.250929893	0.580947377
Mn73	0.924912918	0.001859155	0.580105854
Mn74	0.924163222	0.500487117	0.580905963
Mn75	0.799912216	0.751262267	0.581744708
Mn76	0.048638261	0.75106784	0.582082567
Mn77	0.547795744	0.252111079	0.57994631
Mn78	0.176635424	1.001076879	0.578794395
Mn79	0.422770173	1.000178415	0.578557081
Mn80	0.300229358	0.252843386	0.578706539
Mn81	0.298745157	0.501428371	0.661710083
Mn82	0.424006106	0.751479744	0.66300669
Mn83	0.174258046	0.751498215	0.663083638
Mn84	0.549177418	0.501363082	0.661811633
Mn85	0.049415859	0.001511903	0.660720077
Mn86	0.799066206	1.001456714	0.660980366
Mn87	0.924417056	0.251079345	0.662045061
Mn88	0.924123838	0.751558566	0.663166279
Mn89	0.799124832	0.501196467	0.66187871
Mn90	0.674254726	0.751501467	0.662966916
Mn91	0.673569869	0.251178313	0.66294976
Mn92	0.549183935	0.00134052	0.660539973
Mn93	0.298932119	0.001253122	0.660468396
Mn94	0.049141972	0.501154572	0.661894309
Mn95	0.174458049	0.251174943	0.661488514
Mn96	0.423854503	0.251157529	0.662496049
Mn97	0.42280114	0.000491722	0.739513211
Mn98	0.173402648	0.001651738	0.742189149
Mn99	0.048983656	0.752004813	0.74857639
Mn100	0.297550263	0.251662851	0.746575999
Mn101	0.548197172	0.25166305	0.747973956
Mn102	0.674670071	1.0010728	0.741338124
Mn103	0.674955762	0.502246219	0.742126693
Mn104	0.799136212	0.752026486	0.7484257
Mn105	0.924547099	0.501653858	0.741976325
Mn106	0.924650561	1.001635681	0.741150168
Mn107	0.799285358	0.251696648	0.74706008
Mn108	0.048677168	0.25167384	0.747284091
Mn109	0.54903321	0.751991363	0.748091292
Mn110	0.173213142	0.501592622	0.743153446
Mn111	0.422726836	0.502775187	0.740439867
Mn112	0.298629411	0.751978884	0.748318848
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
O103	0.921825067	0.597640089	0.500197329
O104	0.678847704	0.599609561	0.499990432
O105	0.427678539	0.894237296	0.498190465
O106	0.673285772	0.094067048	0.498900703
O107	0.674825284	0.40481265	0.499871602
O108	0.924693617	0.097193033	0.499537026
O109	0.169845955	0.598839212	0.500524668
O110	0.426119632	0.600523744	0.500492713
O111	0.68006805	0.900859733	0.499392485
O112	0.179188027	0.088403769	0.497114013
O113	0.302596922	0.258971751	0.527587165
O114	0.543710201	0.253454861	0.528840038
O115	0.050196319	0.251691122	0.530067241
O116	0.798319313	0.250542948	0.531043469
O117	0.801549871	0.75141274	0.531848398
O118	0.553504105	0.750133156	0.531937332
O119	0.045414937	0.749887941	0.532250943
O120	0.298755489	0.748704623	0.53241224
O121	0.298725686	0.500797935	0.549481602
O122	0.048215997	0.500122567	0.549237815
O123	0.550178311	0.502413149	0.549396007
O124	0.799426266	0.500523946	0.549397944
O125	0.799595757	-2.13206E-05	0.548636415
O126	0.049768632	1.000810289	0.548276224
O127	0.548513738	-0.000859365	0.547488548
O128	0.300358831	0.997268428	0.546358822
O129	0.176220147	0.155251485	0.578418452
O130	0.673556473	0.348189666	0.58065274
O131	0.424716426	0.654268472	0.581381727
O132	0.173678628	0.654036215	0.581430265
O133	0.924301968	0.154717488	0.579966472
O134	0.674444672	0.848278923	0.581629736
O135	0.672524571	0.154800501	0.579167631
O136	0.424510996	0.349649525	0.580466499
O137	0.675084938	0.654072874	0.581609229
O138	0.924105474	0.653849164	0.581868069
O139	0.923833194	0.347600704	0.580840669
O140	0.174368792	0.348667438	0.580394906
O141	0.924537705	0.848530795	0.582112532
O142	0.424322807	0.847544274	0.581224825
O143	0.174480341	0.847781974	0.581302193
O144	0.423435373	0.154844189	0.578510487
O145	0.299337176	0.501187234	0.612342714
O146	0.548983876	0.500691783	0.612433897
O147	0.798772927	0.004727785	0.611505774
O148	0.049008021	0.500533199	0.612378627
O149	0.799225661	0.499921134	0.612484045
O150	0.050762555	0.004266396	0.611223428
O151	0.54796796	0.004252138	0.611069643
O152	0.300010151	0.004143819	0.61066536
O153	0.299178341	0.749965155	0.631327936
O154	0.549120668	0.749969019	0.631221034
O155	0.049148572	0.74997947	0.63138273
O156	0.797148824	0.250413411	0.630676693
O157	0.049253608	0.250227745	0.62985251
O158	0.799377095	0.750046817	0.631272389
O159	0.548764258	0.250274994	0.630655242
O160	0.301143016	0.250313175	0.629817615
O161	0.424007998	0.597689022	0.663491996
O162	0.174051461	0.904848928	0.661347867
O163	0.424061178	0.904930934	0.661827008
O164	0.924223487	0.905176187	0.661919249
O165	0.174185893	0.404742995	0.662468982
O166	0.924109208	0.404708406	0.66302683
O167	0.924200374	0.097668048	0.662735189
O168	0.673846232	0.097831407	0.663000584
O169	0.424024547	0.404882658	0.663597406
O170	0.674326419	0.597725897	0.66308423
O171	0.67425331	0.904978929	0.661512135
O172	0.924121896	0.597604277	0.663487234
O173	0.174400982	0.097801843	0.662184361
O174	0.424077163	0.097693175	0.663281159
O175	0.673883877	0.404641406	0.663286471
O176	0.173819827	0.597781341	0.662973618
O177	0.298930677	0.752608756	0.695014807
O178	0.549375389	0.752581619	0.694894039
O179	0.049309671	0.752710433	0.695113831
O180	0.798988195	0.752739213	0.695018707
O181	0.800031405	0.251358548	0.694216522
O182	0.549111504	0.251520288	0.69648369
O183	0.049687315	0.251449358	0.693724758
O184	0.297675121	0.251538665	0.693720609
O185	0.296047498	-0.002803779	0.711551316
O186	0.050031516	0.999871233	0.712001755
O187	0.550439121	-0.002663624	0.711761294
O188	0.799168573	0.998137058	0.712027081
O189	0.79929055	0.503491536	0.712793666
O190	0.049941257	0.501600623	0.712853397
O191	0.550431794	0.504204927	0.712706214
O192	0.295902459	0.504294723	0.712564761
O193	0.173675982	0.650708325	0.756339147
O194	0.674058219	0.854003301	0.755715299
O195	0.419189071	0.146064478	0.752026682
O196	0.173438443	0.150151835	0.754782405
O197	0.924163746	0.650295794	0.755771291
O198	0.677453153	0.356185436	0.753703347
O199	0.674159868	0.650362282	0.755912892
O200	0.423791548	0.854252883	0.754888652
O201	0.677339966	0.147153177	0.753254731
O202	0.92403872	0.149787907	0.754385011
O203	0.924176538	0.854069856	0.755558676
O204	0.173773715	0.853685327	0.756085532
O205	0.924011958	0.353522593	0.754875087
O206	0.419082779	0.35721979	0.752538357
O207	0.173373649	0.353019015	0.75531546
O208	0.423785269	0.650080775	0.755151268
O209	0.540901342	0.252149936	0.794821075
O210	0.540901342	0.252149936	0.824821075
H1	0.540901342	0.252149936	0.844821075
			
beta_O_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922720256	0.249116088	0.499290017
Mn57	0.80107149	-0.000135567	0.498955563
Mn58	0.673680134	0.24789218	0.499556033
Mn59	0.679132924	0.75159267	0.499991625
Mn60	0.555509485	0.507180515	0.499936398
Mn61	0.296139474	0.507960653	0.500224158
Mn62	0.050419977	0.001081264	0.498643948
Mn63	0.168448611	0.748268261	0.501552959
Mn64	0.427968225	0.747477352	0.501680775
Mn65	0.424378584	0.502549401	0.58080989
Mn66	0.17382716	0.501482507	0.58083065
Mn67	0.049972482	0.251308607	0.580169463
Mn68	0.299189656	0.750706468	0.581715015
Mn69	0.550228188	0.750967911	0.581796862
Mn70	0.674387055	0.501112014	0.580954649
Mn71	0.673294387	0.001318169	0.57977155
Mn72	0.798231145	0.250884324	0.580924569
Mn73	0.924914235	0.001823115	0.580099015
Mn74	0.924169678	0.500431896	0.580898886
Mn75	0.799992428	0.751217772	0.581763987
Mn76	0.048689583	0.751025795	0.58209443
Mn77	0.547775498	0.252062042	0.579976513
Mn78	0.176683066	1.001011861	0.57879586
Mn79	0.422830531	1.000084757	0.578555866
Mn80	0.300248673	0.252800649	0.578699078
Mn81	0.298696531	0.501426504	0.661692833
Mn82	0.424061901	0.751398819	0.663012592
Mn83	0.174247871	0.751408437	0.663068159
Mn84	0.549107654	0.501335575	0.661814296
Mn85	0.049408632	0.00139241	0.660677777
Mn86	0.799041212	1.001347503	0.660980878
Mn87	0.924502826	0.250988167	0.661862664
Mn88	0.924144175	0.751471606	0.663196121
Mn89	0.799093287	0.501133642	0.661877686
Mn90	0.674320175	0.7514202	0.662997733
Mn91	0.673121899	0.251096398	0.663039004
Mn92	0.549112283	0.001208425	0.660540998
Mn93	0.298879833	0.00108896	0.660449551
Mn94	0.049127949	0.501101451	0.661850848
Mn95	0.174327818	0.251089539	0.661382939
Mn96	0.424002465	0.25106991	0.662703388
Mn97	0.423034255	0.001103027	0.739301292
Mn98	0.173334277	0.001228792	0.742140792
Mn99	0.049006162	0.751905474	0.748569849
Mn100	0.297519946	0.251537891	0.7462306
Mn101	0.547871211	0.251647058	0.75010864
Mn102	0.67424139	1.00095119	0.741477261
Mn103	0.674583705	0.50212262	0.742246007
Mn104	0.799062868	0.751903461	0.748494569
Mn105	0.924477223	0.501901047	0.741811239
Mn106	0.924544841	1.001189057	0.740968043
Mn107	0.799942793	0.251664522	0.746292582
Mn108	0.048901085	0.251568936	0.747283471
Mn109	0.548935383	0.751831447	0.748116137
Mn110	0.173140722	0.50179171	0.7430973
Mn111	0.422982184	0.501842361	0.74025765
Mn112	0.298804085	0.751841305	0.748237273
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
O103	0.921830098	0.597640793	0.500197454
O104	0.67885089	0.599609853	0.499985952
O105	0.427681573	0.894234008	0.49819033
O106	0.673281629	0.094063127	0.498902507
O107	0.674821131	0.404812201	0.49986993
O108	0.924715371	0.097186489	0.49955666
O109	0.169841531	0.598842847	0.500525986
O110	0.426122167	0.600524952	0.50049978
O111	0.680073825	0.900854031	0.499380697
O112	0.179197314	0.088402644	0.497123597
O113	0.302663234	0.258985453	0.527579522
O114	0.543695459	0.253447507	0.528844603
O115	0.050216701	0.251690486	0.530064279
O116	0.798281502	0.250536306	0.531024532
O117	0.801572603	0.751414863	0.531859034
O118	0.553533683	0.750133931	0.531944402
O119	0.045431859	0.749900167	0.532258439
O120	0.298769628	0.748706959	0.532416038
O121	0.298743669	0.500788836	0.549478255
O122	0.048246501	0.500091333	0.549234888
O123	0.550202968	0.502400855	0.549386249
O124	0.799432285	0.500516938	0.549392951
O125	0.799600183	-0.000100256	0.548629396
O126	0.04980983	1.000752619	0.548277836
O127	0.548536277	-0.000959106	0.547480067
O128	0.300384088	0.997176696	0.546358307
O129	0.176243282	0.155194193	0.578420609
O130	0.673542472	0.348154872	0.580706305
O131	0.424781815	0.65425172	0.581372024
O132	0.173734444	0.654005239	0.581449491
O133	0.924331343	0.154670814	0.579963596
O134	0.674512405	0.848209616	0.581660997
O135	0.672508861	0.154747426	0.579214446
O136	0.42451053	0.349623376	0.580525079
O137	0.675151515	0.654053777	0.581621368
O138	0.924175815	0.653815192	0.581872993
O139	0.923867878	0.347559033	0.58085712
O140	0.17439297	0.348630127	0.580415549
O141	0.924603042	0.848486642	0.582141209
O142	0.42439085	0.847477209	0.581235528
O143	0.174539906	0.847733073	0.581337088
O144	0.423442066	0.154779501	0.578550316
O145	0.299402546	0.501215415	0.612330305
O146	0.548974736	0.500767648	0.612418576
O147	0.798781538	0.004563498	0.611488966
O148	0.049008633	0.500516557	0.612363979
O149	0.799236131	0.500031282	0.612470447
O150	0.050760859	0.004220016	0.611208695
O151	0.547955089	0.004132918	0.61104776
O152	0.30008537	0.004050895	0.610653602
O153	0.299228752	0.749865504	0.631326399
O154	0.549205997	0.749873897	0.631234577
O155	0.049105048	0.749876778	0.631391516
O156	0.797182271	0.25030672	0.630588038
O157	0.049255842	0.25011179	0.62977231
O158	0.799457626	0.749946759	0.631300179
O159	0.548583954	0.250189745	0.630730538
O160	0.301029836	0.250218324	0.629796631
O161	0.423971291	0.597676848	0.663462067
O162	0.173963778	0.904704467	0.661280486
O163	0.424018607	0.904775349	0.661780678
O164	0.924256222	0.90506722	0.66194707
O165	0.174142584	0.404708272	0.662392472
O166	0.924125103	0.404633752	0.662947337
O167	0.924225451	0.09757095	0.662673252
O168	0.673750464	0.097631358	0.662931336
O169	0.423912218	0.404958015	0.663619111
O170	0.674327971	0.597669326	0.663090318
O171	0.674252648	0.904868383	0.661499525
O172	0.924146449	0.597538026	0.663533782
O173	0.174358525	0.09766538	0.662115696
O174	0.423960262	0.097456602	0.663309239
O175	0.67378672	0.404673854	0.663199735
O176	0.173722225	0.597747715	0.662926914
O177	0.298904518	0.752518495	0.694995577
O178	0.549452297	0.752509684	0.694907431
O179	0.0493502	0.752628654	0.695134859
O180	0.799032912	0.752655729	0.695070099
O181	0.800479884	0.25126733	0.693997645
O182	0.549120745	0.251445065	0.696494134
O183	0.049538907	0.251368674	0.693669363
O184	0.296866602	0.251454438	0.693601387
O185	0.29584473	-0.003386795	0.711502072
O186	0.050076694	0.999746058	0.711934105
O187	0.550425467	-0.003156516	0.711662358
O188	0.79889262	0.998268128	0.711995852
O189	0.79904066	0.503161564	0.712772463
O190	0.049973372	0.50147891	0.712787741
O191	0.550451942	0.504512289	0.712630903
O192	0.295725268	0.504689629	0.712532542
O193	0.173682346	0.650698421	0.756355666
O194	0.674045107	0.853497443	0.755896439
O195	0.420493908	0.148099818	0.751012496
O196	0.173425485	0.149957053	0.75476112
O197	0.924153078	0.650190775	0.755809365
O198	0.676466727	0.353480762	0.753376497
O199	0.674161989	0.650514197	0.756066264
O200	0.423727512	0.854403836	0.754768583
O201	0.676137272	0.149933561	0.753131612
O202	0.924045266	0.149655221	0.75430586
O203	0.924151253	0.853965139	0.755598446
O204	0.173795492	0.853458199	0.756108572
O205	0.924128862	0.35349323	0.754803
O206	0.420482471	0.354818211	0.751506489
O207	0.173369121	0.353005121	0.755293586
O208	0.423710097	0.649604392	0.755033863
O209	0.537801459	0.252438234	0.7987557
			
R_OH_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.248262928	0.77763079	0.384396423
Mn2	0.693165383	0.793803851	0.414394707
Mn3	0.564130434	0.270049516	0.414728755
Mn4	0.002686887	0.271867982	0.378576093
Mn5	0.33988625	0.505659171	0.358968881
Mn6	0.832163602	0.542417765	0.360581959
Mn7	0.426117897	1.031326614	0.35508263
Mn8	0.917632038	0.990466127	0.352407629
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.439564219	0.922238114	0.400654968
O2	0.969430756	0.872618462	0.394934462
O3	0.526248333	0.649383222	0.385145216
O4	0.096692997	0.608139251	0.383158205
O5	0.300275943	0.359831827	0.394112907
O6	0.80740124	0.404335	0.401141574
O7	0.153563039	0.105866059	0.372611014
O8	0.725345614	0.143916122	0.375459795
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.611798341	0.186148727	0.460090925
H1	0.613115882	0.248689952	0.480545116
			
R_OOH_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.251686538	0.779183001	0.384249084
Mn2	0.699923839	0.791053506	0.413052972
Mn3	0.56759845	0.266257307	0.414926804
Mn4	0.007675045	0.273259302	0.379632499
Mn5	0.340476892	0.505484609	0.359085355
Mn6	0.835265765	0.540297321	0.360421884
Mn7	0.428353986	1.031826653	0.355059553
Mn8	0.919849248	0.992048207	0.352560564
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.446329487	0.922278356	0.400581473
O2	0.975427842	0.87621494	0.395448732
O3	0.528250506	0.649708505	0.384462501
O4	0.097595363	0.610754826	0.382669795
O5	0.300357779	0.361731148	0.394703421
O6	0.81094899	0.406000646	0.401064791
O7	0.15712043	0.107194619	0.37255012
O8	0.729158233	0.144453725	0.375775603
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.618907864	0.154942517	0.458905263
O58	0.584466078	0.237443105	0.490937336
H1	0.624302006	0.168543505	0.509627148
			
R_O_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.249733814	0.777970497	0.385575555
Mn2	0.696281302	0.792280103	0.414679102
Mn3	0.580131271	0.272234214	0.410993622
Mn4	0.013490574	0.274922081	0.377799312
Mn5	0.34174432	0.50781781	0.358693141
Mn6	0.833010581	0.544366368	0.360187227
Mn7	0.424357174	1.029550824	0.355082715
Mn8	0.919187204	0.988270893	0.352002431
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.442883598	0.922342835	0.400984171
O2	0.971126431	0.874360204	0.395268265
O3	0.52797242	0.649769955	0.384947262
O4	0.097396524	0.608401393	0.383224116
O5	0.313453633	0.35926421	0.39422763
O6	0.811449371	0.404424168	0.401191526
O7	0.152317072	0.10572638	0.372369945
O8	0.720333222	0.153544404	0.376358709
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.568143154	0.21185426	0.451888231
			
alpha_OH_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.270491724	0.062612956	0.653122159
Mn2	0.069867989	0.518442919	0.655087439
Mn3	0.280114344	0.559326771	0.656869771
Mn4	0.562865808	0.525863532	0.657028972
Mn5	0.315540514	0.809207114	0.656650146
Mn6	0.815063274	0.316585663	0.655204442
Mn7	0.052242287	0.298542953	0.651487128
Mn8	0.551952735	0.788022825	0.653063994
Mn9	0.064400395	0.800946558	0.653252284
Mn10	0.54205926	0.306655564	0.652420527
Mn11	0.293143813	0.28535589	0.648968726
Mn12	0.54113846	0.070379258	0.649617535
Mn13	0.782144277	0.783785782	0.649113354
Mn14	0.834928553	0.037744504	0.648814473
Mn15	0.038902731	0.073235189	0.651493066
Mn16	0.825823291	0.538648007	0.65284612
Mn17	0.386736472	0.132203041	0.595158997
Mn18	0.649454309	0.144384687	0.601205673
Mn19	0.888638543	0.862317551	0.602140484
Mn20	0.60957058	0.394231622	0.599096097
Mn21	0.14716068	0.646808447	0.598591794
Mn22	0.612516274	0.893253647	0.599476101
Mn23	0.398594817	0.856836684	0.598642969
Mn24	0.384040771	0.632482491	0.594204501
Mn25	0.88183475	0.631378144	0.597195807
Mn26	0.885023447	0.131068783	0.595392806
Mn27	0.157616575	0.368856446	0.590821752
Mn28	0.372271832	0.405596412	0.590471428
Mn29	0.624935531	0.617034099	0.59217107
Mn30	0.158214991	0.871656359	0.590943134
Mn31	0.875055089	0.406674736	0.591646181
Mn32	0.118143568	0.120919084	0.590779628
Mn33	0.94508497	0.727806794	0.548964433
Mn34	0.729135328	0.191830484	0.542862139
Mn35	0.941150018	0.225311684	0.542418191
Mn36	0.223042605	0.194507439	0.54236742
Mn37	0.975165279	0.483853429	0.541885621
Mn38	0.478331047	0.977443656	0.541323342
Mn39	0.717065937	0.963907349	0.53879375
Mn40	0.217450868	0.46484737	0.538143826
Mn41	0.719867075	0.465025475	0.538719402
Mn42	0.215897321	0.966298671	0.537515916
Mn43	0.959167057	0.952579961	0.532689647
Mn44	0.21259487	0.733748358	0.532907563
Mn45	0.459108884	0.44883822	0.534365463
Mn46	0.493981047	0.701049934	0.534674174
Mn47	0.709451751	0.736339478	0.532972824
Mn48	0.495226087	0.200283738	0.534461439
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.998957523	0.436923668	0.671330944
O2	0.192803872	0.212574357	0.670238081
O3	0.967033192	0.245964118	0.671491152
O4	0.191878094	0.977192708	0.663725893
O5	0.236522826	0.436343389	0.663441601
O6	0.487361879	0.689637266	0.664686935
O7	0.711852484	0.695227521	0.662630491
O8	0.231577797	0.732213212	0.664811004
O9	0.441813558	0.470889291	0.66444272
O10	0.449705891	0.236791167	0.659193636
O11	0.991314215	0.964220089	0.662291631
O12	0.73134348	0.479862528	0.665345108
O13	0.114188799	0.636830678	0.648250942
O14	0.652318512	0.361083012	0.64738748
O15	0.389981142	0.899604321	0.646569794
O16	0.666254751	0.141510016	0.643575703
O17	0.607815018	0.901915277	0.641957207
O18	0.877378248	0.863620154	0.644567601
O19	0.359751356	0.123757812	0.635458306
O20	0.912852576	0.61788027	0.642064113
O21	0.87322188	0.162402492	0.640784002
O22	0.135882105	0.361271405	0.629978499
O23	0.906095748	0.383009162	0.630694731
O24	0.11022439	0.1538802	0.630110819
O25	0.302354172	0.573277579	0.61487363
O26	0.524131247	0.550629956	0.615280655
O27	0.326810848	0.772171239	0.61499536
O28	0.562031315	0.763571579	0.608912842
O29	0.074841722	0.809456656	0.609293277
O30	0.558597239	0.074277899	0.608532735
O31	0.5163272	0.324084987	0.608772856
O32	0.322607876	0.29780297	0.601416187
O33	0.832949415	0.022963802	0.605436468
O34	0.77307559	0.796139886	0.605288407
O35	0.780478716	0.571475274	0.604024182
O36	0.048162906	0.027972632	0.60243097
O37	0.721734336	0.237282838	0.588826732
O38	0.988342899	0.689132783	0.590912767
O39	0.447973726	0.966533546	0.588104595
O40	0.995233132	0.472827056	0.584372695
O41	0.250978892	0.943006426	0.581154082
O42	0.211984211	0.188190379	0.582806951
O43	0.932774867	0.243461296	0.583911085
O44	0.695893064	0.45515027	0.581734313
O45	0.208784921	0.500914141	0.578942597
O46	0.240376778	0.714253679	0.573199919
O47	0.446311457	0.488796554	0.573176061
O48	0.468673729	0.69221981	0.573532878
O49	0.648386154	0.120122209	0.561293997
O50	0.860932336	0.881821041	0.56236558
O51	0.635321065	0.899980983	0.558723195
O52	0.846089371	0.657626227	0.554333953
O53	0.89415723	0.097035943	0.552371782
O54	0.164606656	0.358531882	0.549311061
O55	0.394318043	0.353382011	0.546589287
O56	0.88155816	0.415451108	0.55016568
O57	0.103424209	0.125582175	0.549100959
O58	0.116488757	0.901985628	0.544701033
O59	0.658138519	0.629712785	0.54538462
O60	0.410475115	0.138648558	0.554223017
O61	0.777556002	0.301804204	0.53124845
O62	0.319129656	0.028349525	0.530619871
O63	0.036766085	0.584767838	0.528620104
O64	0.33513113	0.810166705	0.528088341
O65	0.269060078	0.568760794	0.526752044
O66	0.55891979	0.511448228	0.527360117
O67	0.022047327	0.786922637	0.52599615
O68	0.588686406	0.269617055	0.521522175
O69	0.545161729	0.832233566	0.521128714
O70	0.795959617	0.025469809	0.5180153
O71	0.571866401	0.047350449	0.51615051
O72	0.795947126	0.806736964	0.51347542
O73	0.965444082	0.233876256	0.503409707
O74	0.19615406	0.21698595	0.502805057
O75	0.993594351	0.439127518	0.50247688
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.556650968	0.033134947	0.687085249
H1	0.522382904	0.102307808	0.697993389
			
alpha_OOH_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.271084842	0.063385154	0.652831088
Mn2	0.069219605	0.518900094	0.653422112
Mn3	0.279233447	0.560718414	0.656500687
Mn4	0.562212526	0.526386506	0.656798593
Mn5	0.314541463	0.810911532	0.656235182
Mn6	0.814675127	0.317410143	0.655104559
Mn7	0.052158232	0.300137818	0.651314909
Mn8	0.552595396	0.787518274	0.652542141
Mn9	0.063384564	0.802759487	0.65309292
Mn10	0.541866891	0.30696672	0.652545059
Mn11	0.292583117	0.28628521	0.648722381
Mn12	0.542109113	0.0715315	0.649241852
Mn13	0.781829735	0.788735138	0.649048418
Mn14	0.837273968	0.038074008	0.648759784
Mn15	0.040004942	0.074465598	0.651393617
Mn16	0.821957932	0.540341491	0.650881897
Mn17	0.387034747	0.132554994	0.594904165
Mn18	0.650115119	0.144801664	0.601020968
Mn19	0.890887016	0.863650525	0.601948356
Mn20	0.609547389	0.394411623	0.598963895
Mn21	0.147514814	0.647428775	0.59854169
Mn22	0.611204264	0.896841996	0.59948539
Mn23	0.399160938	0.857257484	0.598299783
Mn24	0.384263047	0.632718285	0.594004778
Mn25	0.880241892	0.634209017	0.597225228
Mn26	0.885599786	0.131603387	0.595225971
Mn27	0.159274386	0.367057135	0.590343685
Mn28	0.372654012	0.405635623	0.590362699
Mn29	0.624636102	0.617328456	0.591794242
Mn30	0.159140165	0.872052323	0.590706054
Mn31	0.875919617	0.406667791	0.591215192
Mn32	0.118707391	0.120991471	0.590603303
Mn33	0.946739779	0.727949513	0.549138722
Mn34	0.729538172	0.191773659	0.542688909
Mn35	0.941409876	0.224750945	0.542249531
Mn36	0.224366966	0.193576188	0.542119136
Mn37	0.979019659	0.479280398	0.542116683
Mn38	0.478823062	0.977429652	0.54109241
Mn39	0.717737655	0.963845095	0.538738145
Mn40	0.218062353	0.46494167	0.538038882
Mn41	0.719819951	0.464650364	0.538622455
Mn42	0.216039846	0.966359838	0.537352105
Mn43	0.959376691	0.95224689	0.532656001
Mn44	0.212729494	0.733768592	0.532848046
Mn45	0.459426993	0.448830745	0.534317314
Mn46	0.494204752	0.701389541	0.534568572
Mn47	0.71052619	0.736005823	0.533591522
Mn48	0.495635524	0.200297789	0.534308557
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.999653746	0.439413211	0.670652509
O2	0.192846861	0.213481762	0.670057833
O3	0.966673111	0.248015984	0.671324069
O4	0.192724795	0.97855822	0.663658162
O5	0.23457226	0.438104621	0.662830303
O6	0.487059737	0.689886107	0.664246887
O7	0.71190202	0.694156265	0.661901348
O8	0.228221888	0.7355882	0.66436361
O9	0.441219267	0.472283234	0.664304421
O10	0.448182796	0.238332405	0.659831886
O11	0.993790439	0.965203221	0.662491332
O12	0.729552654	0.481312892	0.664625519
O13	0.112979676	0.638921366	0.647483052
O14	0.651839678	0.36136787	0.647389818
O15	0.39001406	0.899645928	0.646070355
O16	0.666729826	0.140613909	0.643528782
O17	0.601272843	0.905044184	0.642073743
O18	0.885466917	0.863911502	0.644727512
O19	0.359709532	0.124878409	0.635362119
O20	0.913420018	0.613861318	0.638174235
O21	0.873820204	0.162932966	0.640826226
O22	0.136730155	0.360369825	0.629552587
O23	0.905110287	0.384679549	0.630412771
O24	0.110130175	0.15508693	0.629918269
O25	0.30286033	0.573568396	0.61470366
O26	0.524224262	0.550924278	0.615066424
O27	0.326721667	0.772710156	0.614671198
O28	0.56270654	0.764116582	0.608334541
O29	0.075657068	0.810658163	0.60889271
O30	0.557824443	0.076369733	0.60803886
O31	0.516502758	0.324221402	0.608801284
O32	0.323272808	0.297624726	0.601204742
O33	0.833591424	0.024404402	0.605305293
O34	0.769933038	0.809026068	0.605698294
O35	0.77978174	0.572085848	0.603250924
O36	0.049076097	0.028178182	0.602318159
O37	0.721863303	0.237845369	0.588665148
O38	0.988754084	0.691014677	0.591079694
O39	0.447473328	0.967664892	0.587771448
O40	0.999136636	0.465174586	0.583590991
O41	0.251539192	0.943308873	0.580741208
O42	0.213499538	0.187029935	0.582523567
O43	0.933158211	0.243128871	0.583742979
O44	0.695681716	0.455164433	0.581514664
O45	0.208929988	0.501151402	0.578839978
O46	0.240921893	0.71419152	0.57302205
O47	0.446754328	0.48874157	0.57308755
O48	0.468551957	0.692465749	0.573350162
O49	0.649145214	0.120197634	0.56112635
O50	0.863333467	0.882785065	0.562157895
O51	0.635687387	0.900768043	0.558488032
O52	0.847696024	0.659413242	0.556764474
O53	0.894602857	0.096790028	0.552170867
O54	0.167165417	0.357240076	0.548816561
O55	0.394881594	0.353360122	0.546527503
O56	0.880842908	0.415095228	0.549839493
O57	0.103694199	0.125658055	0.548898459
O58	0.116810029	0.902025789	0.544580668
O59	0.658690507	0.629484851	0.545393981
O60	0.410639229	0.138928352	0.553859546
O61	0.777849843	0.301087545	0.530968302
O62	0.319539185	0.028015984	0.53038034
O63	0.036079897	0.585190725	0.528695061
O64	0.335267676	0.810269271	0.528019716
O65	0.269350798	0.568867823	0.526699505
O66	0.559212975	0.511443503	0.527334999
O67	0.023106813	0.786413423	0.525812909
O68	0.58895837	0.269641088	0.52139487
O69	0.545200972	0.832048314	0.521158971
O70	0.796220111	0.025105452	0.517892183
O71	0.572618781	0.047196297	0.516008531
O72	0.799108902	0.803827244	0.513653123
O73	0.965668323	0.233859412	0.503322996
O74	0.19622738	0.216852971	0.502676389
O75	0.993530558	0.439304143	0.502522349
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.563488179	0.025768797	0.687213807
O159	0.566679519	0.104812426	0.706209975
H1	0.492784917	0.17258057	0.703147067
			
alpha_O_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.270923551	0.06248692	0.653230468
Mn2	0.069718272	0.51868072	0.655059531
Mn3	0.280068397	0.559486455	0.656873808
Mn4	0.562835042	0.525581238	0.657038211
Mn5	0.315557454	0.809344769	0.65658603
Mn6	0.815046622	0.316434853	0.655200563
Mn7	0.052290612	0.298498186	0.651464879
Mn8	0.552499747	0.787053865	0.653007708
Mn9	0.064279631	0.800995078	0.653233578
Mn10	0.541802061	0.30725907	0.652547422
Mn11	0.292705446	0.28565072	0.649311934
Mn12	0.540836293	0.072582634	0.649279086
Mn13	0.782422591	0.782776682	0.649029139
Mn14	0.834873997	0.037710685	0.648878566
Mn15	0.039173608	0.073110283	0.651486537
Mn16	0.825850674	0.538226273	0.652732269
Mn17	0.386792727	0.132201722	0.595189361
Mn18	0.649701422	0.144118454	0.601147187
Mn19	0.888729919	0.8622856	0.602174802
Mn20	0.609614657	0.394189821	0.599091116
Mn21	0.147348889	0.646734048	0.598581756
Mn22	0.612312204	0.892748606	0.59942477
Mn23	0.3984429	0.857079555	0.598596704
Mn24	0.384149876	0.632425362	0.594178122
Mn25	0.881934544	0.631538542	0.597148834
Mn26	0.885094111	0.13109937	0.595391588
Mn27	0.157833889	0.368668742	0.590836963
Mn28	0.372513867	0.405294268	0.590502039
Mn29	0.625039829	0.617028615	0.592132039
Mn30	0.158264823	0.871646594	0.590904114
Mn31	0.875111845	0.406783231	0.591618067
Mn32	0.11819798	0.120919322	0.590772012
Mn33	0.945080685	0.727938609	0.548960837
Mn34	0.729108854	0.191960289	0.542858118
Mn35	0.941164668	0.225377858	0.54241666
Mn36	0.223167055	0.194464949	0.542362002
Mn37	0.975326853	0.483792985	0.541903064
Mn38	0.47832746	0.977661702	0.541234952
Mn39	0.717140264	0.963938614	0.538711442
Mn40	0.21751735	0.464780918	0.538149921
Mn41	0.719866546	0.465080456	0.53871191
Mn42	0.21584972	0.966360921	0.5374913
Mn43	0.959160465	0.952651094	0.532684667
Mn44	0.21250303	0.733747203	0.532896508
Mn45	0.459131049	0.448816133	0.534363211
Mn46	0.493969047	0.701044658	0.534656632
Mn47	0.709294594	0.736621887	0.533018528
Mn48	0.495221712	0.20033915	0.534405605
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.998984248	0.437026845	0.671260816
O2	0.192600139	0.212516623	0.670263553
O3	0.966957248	0.245977529	0.671439319
O4	0.192263558	0.976997782	0.66370843
O5	0.235696124	0.437056575	0.663496908
O6	0.487733209	0.689242766	0.664592312
O7	0.71237229	0.694329055	0.662765209
O8	0.231225807	0.732581753	0.664702496
O9	0.441958078	0.471598811	0.664440552
O10	0.448021985	0.240305296	0.658825845
O11	0.991763054	0.963938562	0.662253703
O12	0.73098646	0.47995161	0.665198416
O13	0.114156457	0.637048286	0.648173452
O14	0.652331853	0.360886116	0.647412552
O15	0.390500333	0.899194947	0.646546293
O16	0.665955611	0.141074361	0.64371857
O17	0.608944611	0.899896863	0.642485063
O18	0.878228157	0.862811936	0.644563176
O19	0.360377755	0.1236592	0.635838218
O20	0.912763831	0.618131654	0.641972255
O21	0.873315489	0.162314243	0.640774367
O22	0.136088642	0.361011169	0.629999462
O23	0.906055112	0.383163931	0.630669896
O24	0.110489701	0.153708439	0.630102599
O25	0.30255641	0.573141312	0.614862114
O26	0.524237321	0.550676056	0.615241789
O27	0.326847493	0.772279798	0.614929773
O28	0.56232718	0.763815832	0.608824903
O29	0.074976284	0.809464659	0.60925439
O30	0.559475092	0.072947231	0.608419236
O31	0.516722571	0.323685685	0.608792071
O32	0.322767478	0.297514955	0.601357633
O33	0.832918688	0.023020191	0.60547513
O34	0.773127106	0.79652449	0.605300845
O35	0.780581744	0.571629011	0.603982111
O36	0.048213126	0.028003544	0.602376072
O37	0.721756211	0.237164317	0.58882981
O38	0.988477264	0.689184001	0.590900266
O39	0.447697938	0.966710715	0.58800971
O40	0.995446107	0.472806795	0.584383896
O41	0.250960634	0.9430295	0.581067285
O42	0.212167706	0.188039932	0.582819142
O43	0.932741054	0.243549937	0.583908132
O44	0.695947847	0.45512675	0.581737357
O45	0.20901887	0.500758431	0.57895386
O46	0.240433836	0.714159216	0.573174894
O47	0.446439181	0.488593822	0.573187341
O48	0.468710073	0.692263312	0.573511225
O49	0.648461433	0.120157628	0.561258992
O50	0.860986428	0.881866345	0.562393747
O51	0.635358205	0.90037247	0.558548894
O52	0.846009811	0.657926081	0.554396048
O53	0.894199172	0.097128185	0.552341672
O54	0.164627779	0.358482443	0.549307361
O55	0.394344156	0.353414838	0.546567933
O56	0.881561508	0.41554244	0.550163199
O57	0.103397899	0.125708956	0.549086581
O58	0.11650125	0.901985654	0.544671943
O59	0.658169358	0.629716022	0.545362853
O60	0.410565886	0.138720139	0.554072865
O61	0.777554521	0.301879651	0.5312369
O62	0.319057759	0.028382067	0.530589782
O63	0.036719802	0.584876799	0.528627833
O64	0.335133746	0.81019453	0.52807426
O65	0.269020406	0.568775993	0.526738731
O66	0.558932312	0.511440023	0.527360789
O67	0.022026466	0.786993986	0.525979979
O68	0.588698266	0.26966027	0.521499807
O69	0.545023323	0.83224219	0.521115618
O70	0.796037115	0.025535777	0.518002159
O71	0.572004172	0.047427806	0.516079754
O72	0.796199578	0.80667917	0.513459134
O73	0.965432575	0.233920287	0.503406987
O74	0.19615546	0.216999622	0.50280179
O75	0.993583158	0.43917573	0.502483379
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.555603948	0.034244573	0.684440882
			
beta_OH_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922720256	0.249116088	0.499290017
Mn57	0.80107149	-0.000135567	0.498955563
Mn58	0.673680134	0.24789218	0.499556033
Mn59	0.679132924	0.75159267	0.499991625
Mn60	0.555509485	0.507180515	0.499936398
Mn61	0.296139474	0.507960653	0.500224158
Mn62	0.050419977	0.001081264	0.498643948
Mn63	0.168448611	0.748268261	0.501552959
Mn64	0.427968225	0.747477352	0.501680775
Mn65	0.424378584	0.502549401	0.58080989
Mn66	0.17382716	0.501482507	0.58083065
Mn67	0.049972482	0.251308607	0.580169463
Mn68	0.299189656	0.750706468	0.581715015
Mn69	0.550228188	0.750967911	0.581796862
Mn70	0.674387055	0.501112014	0.580954649
Mn71	0.673294387	0.001318169	0.57977155
Mn72	0.798231145	0.250884324	0.580924569
Mn73	0.924914235	0.001823115	0.580099015
Mn74	0.924169678	0.500431896	0.580898886
Mn75	0.799992428	0.751217772	0.581763987
Mn76	0.048689583	0.751025795	0.58209443
Mn77	0.547775498	0.252062042	0.579976513
Mn78	0.176683066	1.001011861	0.57879586
Mn79	0.422830531	1.000084757	0.578555866
Mn80	0.300248673	0.252800649	0.578699078
Mn81	0.298696531	0.501426504	0.661692833
Mn82	0.424061901	0.751398819	0.663012592
Mn83	0.174247871	0.751408437	0.663068159
Mn84	0.549107654	0.501335575	0.661814296
Mn85	0.049408632	0.00139241	0.660677777
Mn86	0.799041212	1.001347503	0.660980878
Mn87	0.924502826	0.250988167	0.661862664
Mn88	0.924144175	0.751471606	0.663196121
Mn89	0.799093287	0.501133642	0.661877686
Mn90	0.674320175	0.7514202	0.662997733
Mn91	0.673121899	0.251096398	0.663039004
Mn92	0.549112283	0.001208425	0.660540998
Mn93	0.298879833	0.00108896	0.660449551
Mn94	0.049127949	0.501101451	0.661850848
Mn95	0.174327818	0.251089539	0.661382939
Mn96	0.424002465	0.25106991	0.662703388
Mn97	0.423034255	0.001103027	0.739301292
Mn98	0.173334277	0.001228792	0.742140792
Mn99	0.049006162	0.751905474	0.748569849
Mn100	0.297519946	0.251537891	0.7462306
Mn101	0.547871211	0.251647058	0.75010864
Mn102	0.67424139	1.00095119	0.741477261
Mn103	0.674583705	0.50212262	0.742246007
Mn104	0.799062868	0.751903461	0.748494569
Mn105	0.924477223	0.501901047	0.741811239
Mn106	0.924544841	1.001189057	0.740968043
Mn107	0.799942793	0.251664522	0.746292582
Mn108	0.048901085	0.251568936	0.747283471
Mn109	0.548935383	0.751831447	0.748116137
Mn110	0.173140722	0.50179171	0.7430973
Mn111	0.422982184	0.501842361	0.74025765
Mn112	0.298804085	0.751841305	0.748237273
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
O103	0.921830098	0.597640793	0.500197454
O104	0.67885089	0.599609853	0.499985952
O105	0.427681573	0.894234008	0.49819033
O106	0.673281629	0.094063127	0.498902507
O107	0.674821131	0.404812201	0.49986993
O108	0.924715371	0.097186489	0.49955666
O109	0.169841531	0.598842847	0.500525986
O110	0.426122167	0.600524952	0.50049978
O111	0.680073825	0.900854031	0.499380697
O112	0.179197314	0.088402644	0.497123597
O113	0.302663234	0.258985453	0.527579522
O114	0.543695459	0.253447507	0.528844603
O115	0.050216701	0.251690486	0.530064279
O116	0.798281502	0.250536306	0.531024532
O117	0.801572603	0.751414863	0.531859034
O118	0.553533683	0.750133931	0.531944402
O119	0.045431859	0.749900167	0.532258439
O120	0.298769628	0.748706959	0.532416038
O121	0.298743669	0.500788836	0.549478255
O122	0.048246501	0.500091333	0.549234888
O123	0.550202968	0.502400855	0.549386249
O124	0.799432285	0.500516938	0.549392951
O125	0.799600183	-0.000100256	0.548629396
O126	0.04980983	1.000752619	0.548277836
O127	0.548536277	-0.000959106	0.547480067
O128	0.300384088	0.997176696	0.546358307
O129	0.176243282	0.155194193	0.578420609
O130	0.673542472	0.348154872	0.580706305
O131	0.424781815	0.65425172	0.581372024
O132	0.173734444	0.654005239	0.581449491
O133	0.924331343	0.154670814	0.579963596
O134	0.674512405	0.848209616	0.581660997
O135	0.672508861	0.154747426	0.579214446
O136	0.42451053	0.349623376	0.580525079
O137	0.675151515	0.654053777	0.581621368
O138	0.924175815	0.653815192	0.581872993
O139	0.923867878	0.347559033	0.58085712
O140	0.17439297	0.348630127	0.580415549
O141	0.924603042	0.848486642	0.582141209
O142	0.42439085	0.847477209	0.581235528
O143	0.174539906	0.847733073	0.581337088
O144	0.423442066	0.154779501	0.578550316
O145	0.299402546	0.501215415	0.612330305
O146	0.548974736	0.500767648	0.612418576
O147	0.798781538	0.004563498	0.611488966
O148	0.049008633	0.500516557	0.612363979
O149	0.799236131	0.500031282	0.612470447
O150	0.050760859	0.004220016	0.611208695
O151	0.547955089	0.004132918	0.61104776
O152	0.30008537	0.004050895	0.610653602
O153	0.299228752	0.749865504	0.631326399
O154	0.549205997	0.749873897	0.631234577
O155	0.049105048	0.749876778	0.631391516
O156	0.797182271	0.25030672	0.630588038
O157	0.049255842	0.25011179	0.62977231
O158	0.799457626	0.749946759	0.631300179
O159	0.548583954	0.250189745	0.630730538
O160	0.301029836	0.250218324	0.629796631
O161	0.423971291	0.597676848	0.663462067
O162	0.173963778	0.904704467	0.661280486
O163	0.424018607	0.904775349	0.661780678
O164	0.924256222	0.90506722	0.66194707
O165	0.174142584	0.404708272	0.662392472
O166	0.924125103	0.404633752	0.662947337
O167	0.924225451	0.09757095	0.662673252
O168	0.673750464	0.097631358	0.662931336
O169	0.423912218	0.404958015	0.663619111
O170	0.674327971	0.597669326	0.663090318
O171	0.674252648	0.904868383	0.661499525
O172	0.924146449	0.597538026	0.663533782
O173	0.174358525	0.09766538	0.662115696
O174	0.423960262	0.097456602	0.663309239
O175	0.67378672	0.404673854	0.663199735
O176	0.173722225	0.597747715	0.662926914
O177	0.298904518	0.752518495	0.694995577
O178	0.549452297	0.752509684	0.694907431
O179	0.0493502	0.752628654	0.695134859
O180	0.799032912	0.752655729	0.695070099
O181	0.800479884	0.25126733	0.693997645
O182	0.549120745	0.251445065	0.696494134
O183	0.049538907	0.251368674	0.693669363
O184	0.296866602	0.251454438	0.693601387
O185	0.29584473	-0.003386795	0.711502072
O186	0.050076694	0.999746058	0.711934105
O187	0.550425467	-0.003156516	0.711662358
O188	0.79889262	0.998268128	0.711995852
O189	0.79904066	0.503161564	0.712772463
O190	0.049973372	0.50147891	0.712787741
O191	0.550451942	0.504512289	0.712630903
O192	0.295725268	0.504689629	0.712532542
O193	0.173682346	0.650698421	0.756355666
O194	0.674045107	0.853497443	0.755896439
O195	0.420493908	0.148099818	0.751012496
O196	0.173425485	0.149957053	0.75476112
O197	0.924153078	0.650190775	0.755809365
O198	0.676466727	0.353480762	0.753376497
O199	0.674161989	0.650514197	0.756066264
O200	0.423727512	0.854403836	0.754768583
O201	0.676137272	0.149933561	0.753131612
O202	0.924045266	0.149655221	0.75430586
O203	0.924151253	0.853965139	0.755598446
O204	0.173795492	0.853458199	0.756108572
O205	0.924128862	0.35349323	0.754803
O206	0.420482471	0.354818211	0.751506489
O207	0.173369121	0.353005121	0.755293586
O208	0.423710097	0.649604392	0.755033863
O209	0.537801459	0.252438234	0.7987557
H1	0.614539501	0.247439714	0.807933021
			
beta_OOH_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922739064	0.249164038	0.499290313
Mn57	0.801070836	-7.29551E-05	0.498960166
Mn58	0.673671061	0.247951947	0.499560366
Mn59	0.679121924	0.751625036	0.499996773
Mn60	0.555477065	0.507246338	0.499941361
Mn61	0.296126807	0.507996927	0.500224227
Mn62	0.05038926	0.001119472	0.498647399
Mn63	0.168433383	0.748290272	0.501561027
Mn64	0.427939111	0.747511063	0.501689528
Mn65	0.424209189	0.503061162	0.580826983
Mn66	0.17368417	0.502011606	0.580854153
Mn67	0.049832247	0.251844989	0.580223698
Mn68	0.299024887	0.751238312	0.581744128
Mn69	0.550055149	0.751503291	0.581809274
Mn70	0.674322212	0.501652489	0.580951415
Mn71	0.673216305	0.001814148	0.579761024
Mn72	0.798182074	0.251421005	0.580907528
Mn73	0.924819718	0.002296171	0.580130273
Mn74	0.924075438	0.50099312	0.580928806
Mn75	0.79982135	0.751747166	0.581772879
Mn76	0.048558568	0.751558925	0.582114326
Mn77	0.547720953	0.252597064	0.579996296
Mn78	0.176537488	1.001518448	0.578815924
Mn79	0.422658466	1.000626754	0.578563484
Mn80	0.30007656	0.253334386	0.578640858
Mn81	0.298544421	0.50235047	0.661764693
Mn82	0.42385636	0.752433531	0.663057612
Mn83	0.17410777	0.752451373	0.66314694
Mn84	0.548945052	0.502363094	0.6617757
Mn85	0.04919235	0.002428142	0.660751081
Mn86	0.798964455	1.002409731	0.661034188
Mn87	0.924446462	0.252030962	0.662097208
Mn88	0.923951928	0.752505374	0.663196888
Mn89	0.799004857	0.502133505	0.661929782
Mn90	0.674065086	0.752456502	0.663034438
Mn91	0.6739798	0.252126749	0.662959348
Mn92	0.548932983	0.002228659	0.660501679
Mn93	0.298753277	0.002235441	0.660525525
Mn94	0.048931501	0.502120721	0.661928009
Mn95	0.173960947	0.252110752	0.661534057
Mn96	0.423038961	0.252109166	0.662440608
Mn97	0.42303578	0.001849412	0.739850826
Mn98	0.173082268	0.002554719	0.741876331
Mn99	0.048711077	0.753273341	0.748580168
Mn100	0.296934446	0.252899995	0.746498709
Mn101	0.548384931	0.253002027	0.74841114
Mn102	0.673738598	1.002436099	0.741164714
Mn103	0.674158254	0.503580888	0.742059193
Mn104	0.79884559	0.753318832	0.748490875
Mn105	0.92411695	0.503219065	0.742124603
Mn106	0.92416749	1.002679891	0.74140985
Mn107	0.799123538	0.253033939	0.747117686
Mn108	0.048168134	0.252932203	0.747591447
Mn109	0.548755426	0.753214789	0.748224287
Mn110	0.172879384	0.503234673	0.742972818
Mn111	0.422942798	0.503873888	0.740596461
Mn112	0.29847212	0.753178482	0.748370132
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
O103	0.921821548	0.59764489	0.500154316
O104	0.678846394	0.599636329	0.499951687
O105	0.427658944	0.894259304	0.498245796
O106	0.673278483	0.094100957	0.498866217
O107	0.674796829	0.404846039	0.49992072
O108	0.924702446	0.097230802	0.499503152
O109	0.169824962	0.59886269	0.500489812
O110	0.426086235	0.600562387	0.500458679
O111	0.680073432	0.900892075	0.499450843
O112	0.179174926	0.088435152	0.49709895
O113	0.302592246	0.259013498	0.527575421
O114	0.543667188	0.253448631	0.528846673
O115	0.05019199	0.251683257	0.530082868
O116	0.798293577	0.250516908	0.531029135
O117	0.801544502	0.751353259	0.531861839
O118	0.553480159	0.750075732	0.531953651
O119	0.045387497	0.749843686	0.532265182
O120	0.298717745	0.748668961	0.532432207
O121	0.298630066	0.501290334	0.549493303
O122	0.048132184	0.500657256	0.549246891
O123	0.550082796	0.502932357	0.54939463
O124	0.799385391	0.501062743	0.549401773
O125	0.799562754	0.000535221	0.548638383
O126	0.049688614	1.001305091	0.548285535
O127	0.548410482	-0.000267261	0.54747556
O128	0.300253806	0.997800292	0.546370005
O129	0.176097925	0.15571649	0.578542101
O130	0.673514611	0.348659354	0.580607547
O131	0.424621859	0.654768766	0.581514093
O132	0.173582976	0.654533221	0.581560324
O133	0.924234605	0.155184382	0.580089257
O134	0.674355212	0.848742417	0.58154898
O135	0.672470105	0.155298444	0.579317017
O136	0.42438808	0.350112352	0.580437784
O137	0.674998571	0.654568055	0.581734524
O138	0.92402384	0.654349969	0.582010538
O139	0.923754166	0.348102078	0.580762856
O140	0.174237005	0.349167676	0.580328757
O141	0.924451296	0.848991935	0.582041032
O142	0.424234458	0.848001037	0.581147634
O143	0.174384154	0.848242337	0.58123515
O144	0.423300864	0.155354246	0.578682863
O145	0.299174979	0.50170489	0.612364584
O146	0.54892504	0.501105605	0.612401848
O147	0.79862171	0.004988349	0.611516899
O148	0.048934912	0.500947625	0.612405999
O149	0.799101453	0.500369608	0.612498866
O150	0.0506959	0.004559823	0.611248336
O151	0.547923649	0.004555739	0.6110259
O152	0.299847774	0.004331424	0.61068166
O153	0.298983049	0.751087687	0.631379188
O154	0.548996978	0.751097634	0.631267174
O155	0.049062329	0.7511201	0.631425385
O156	0.797448409	0.251513152	0.630645037
O157	0.04902336	0.251344536	0.629891649
O158	0.799177954	0.751183268	0.631317014
O159	0.548681641	0.251365902	0.630813638
O160	0.300357647	0.251413967	0.629750598
O161	0.423783544	0.598650024	0.663438369
O162	0.173879118	0.905859622	0.66169653
O163	0.423825206	0.905896747	0.661942461
O164	0.924073325	0.906111125	0.66203729
O165	0.173900434	0.405698556	0.662619495
O166	0.923993474	0.405649947	0.663111555
O167	0.924091505	0.098655077	0.662595843
O168	0.673709888	0.098776749	0.662969879
O169	0.423767465	0.405828356	0.663545469
O170	0.674150429	0.598652763	0.663108031
O171	0.674073156	0.90599356	0.661767509
O172	0.923966182	0.598587149	0.663435692
O173	0.174094009	0.098753576	0.662145068
O174	0.42384296	0.098698553	0.663001648
O175	0.673756033	0.405613406	0.663404676
O176	0.173629342	0.598722523	0.663084601
O177	0.298847743	0.753536258	0.695104361
O178	0.549151735	0.753508995	0.69497208
O179	0.049052111	0.753618623	0.695181504
O180	0.798868145	0.753660188	0.695089205
O181	0.800271546	0.252243117	0.694238072
O182	0.549027029	0.252480986	0.696705422
O183	0.049359873	0.252344237	0.693896967
O184	0.296962686	0.252351735	0.693668352
O185	0.296350385	-0.000300623	0.711635259
O186	0.049205246	1.001656808	0.712054435
O187	0.549599156	-0.001331083	0.711666114
O188	0.799192243	1.000315275	0.712097324
O189	0.799180027	0.504215551	0.712856683
O190	0.049294827	0.502630254	0.712901461
O191	0.549873442	0.505714052	0.712614868
O192	0.295951163	0.504852715	0.712634215
O193	0.173446832	0.651958339	0.75637428
O194	0.673807519	0.855221497	0.755769265
O195	0.421649407	0.150055512	0.752063202
O196	0.173097666	0.151291556	0.754932664
O197	0.923895878	0.651651617	0.755973309
O198	0.674412463	0.354811754	0.753566768
O199	0.673950053	0.651769132	0.756055955
O200	0.423448546	0.855429495	0.755222089
O201	0.673757758	0.151481247	0.753212075
O202	0.923400104	0.151178934	0.754880984
O203	0.923905616	0.855246318	0.755772591
O204	0.173580296	0.855063984	0.756010527
O205	0.923501828	0.354795836	0.755275891
O206	0.421366537	0.35569003	0.752190608
O207	0.172989565	0.354353397	0.755493489
O208	0.423443501	0.651173461	0.755416277
O209	0.521216776	0.257147468	0.80063381
O210	0.615498805	0.247677396	0.822690947
H1	0.577155168	0.247594545	0.84515979
			
beta_O_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922719816	0.2491267	0.499291028
Mn57	0.801065931	-0.000128891	0.498953566
Mn58	0.673697499	0.24790254	0.499564247
Mn59	0.679123191	0.751598427	0.499986002
Mn60	0.555506676	0.507181595	0.499936117
Mn61	0.296142797	0.50795726	0.500220416
Mn62	0.050406502	0.001089016	0.498636041
Mn63	0.168447019	0.748267314	0.501549609
Mn64	0.427957335	0.747479719	0.50167683
Mn65	0.424325495	0.502558864	0.580812495
Mn66	0.173784157	0.50151442	0.580832067
Mn67	0.049943878	0.251357508	0.580198267
Mn68	0.299121543	0.750750874	0.581709467
Mn69	0.550145089	0.751017472	0.581782942
Mn70	0.674386116	0.501144126	0.580951275
Mn71	0.67329019	0.001385688	0.579769408
Mn72	0.798223224	0.250929893	0.580947377
Mn73	0.924912918	0.001859155	0.580105854
Mn74	0.924163222	0.500487117	0.580905963
Mn75	0.799912216	0.751262267	0.581744708
Mn76	0.048638261	0.75106784	0.582082567
Mn77	0.547795744	0.252111079	0.57994631
Mn78	0.176635424	1.001076879	0.578794395
Mn79	0.422770173	1.000178415	0.578557081
Mn80	0.300229358	0.252843386	0.578706539
Mn81	0.298745157	0.501428371	0.661710083
Mn82	0.424006106	0.751479744	0.66300669
Mn83	0.174258046	0.751498215	0.663083638
Mn84	0.549177418	0.501363082	0.661811633
Mn85	0.049415859	0.001511903	0.660720077
Mn86	0.799066206	1.001456714	0.660980366
Mn87	0.924417056	0.251079345	0.662045061
Mn88	0.924123838	0.751558566	0.663166279
Mn89	0.799124832	0.501196467	0.66187871
Mn90	0.674254726	0.751501467	0.662966916
Mn91	0.673569869	0.251178313	0.66294976
Mn92	0.549183935	0.00134052	0.660539973
Mn93	0.298932119	0.001253122	0.660468396
Mn94	0.049141972	0.501154572	0.661894309
Mn95	0.174458049	0.251174943	0.661488514
Mn96	0.423854503	0.251157529	0.662496049
Mn97	0.42280114	0.000491722	0.739513211
Mn98	0.173402648	0.001651738	0.742189149
Mn99	0.048983656	0.752004813	0.74857639
Mn100	0.297550263	0.251662851	0.746575999
Mn101	0.548197172	0.25166305	0.747973956
Mn102	0.674670071	1.0010728	0.741338124
Mn103	0.674955762	0.502246219	0.742126693
Mn104	0.799136212	0.752026486	0.7484257
Mn105	0.924547099	0.501653858	0.741976325
Mn106	0.924650561	1.001635681	0.741150168
Mn107	0.799285358	0.251696648	0.74706008
Mn108	0.048677168	0.25167384	0.747284091
Mn109	0.54903321	0.751991363	0.748091292
Mn110	0.173213142	0.501592622	0.743153446
Mn111	0.422726836	0.502775187	0.740439867
Mn112	0.298629411	0.751978884	0.748318848
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
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O105	0.427678539	0.894237296	0.498190465
O106	0.673285772	0.094067048	0.498900703
O107	0.674825284	0.40481265	0.499871602
O108	0.924693617	0.097193033	0.499537026
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O110	0.426119632	0.600523744	0.500492713
O111	0.68006805	0.900859733	0.499392485
O112	0.179188027	0.088403769	0.497114013
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O117	0.801549871	0.75141274	0.531848398
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O119	0.045414937	0.749887941	0.532250943
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O125	0.799595757	-2.13206E-05	0.548636415
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O128	0.300358831	0.997268428	0.546358822
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O198	0.677453153	0.356185436	0.753703347
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O206	0.419082779	0.35721979	0.752538357
O207	0.173373649	0.353019015	0.75531546
O208	0.423785269	0.650080775	0.755151268
O209	0.540901342	0.252149936	0.794821075
