R_O+OH_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Nd1	0.640337727	0.246546327	0.311434836
Mn1	0.122543884	0.781006155	0.412566081
Mn2	0.626849559	0.782676225	0.417072571
Mn3	0.612398749	0.250004412	0.411586221
Mn4	0.123116844	0.280925358	0.375823537
Mn5	0.372384722	0.529627352	0.363524231
Mn6	0.867710623	0.528855325	0.362169617
Mn7	0.369439829	0.98852101	0.353981268
Mn8	0.88240946	0.984337595	0.357033324
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	0.382316438	0.89505083	0.400604554
O2	0.869595065	0.906559435	0.407825799
O3	0.626586738	0.62022102	0.389213125
O4	0.118324724	0.605582568	0.387897566
O5	0.383577908	0.366707945	0.402334934
O6	0.849230522	0.357717052	0.400257024
O7	0.127972284	0.08375716	0.376056035
O8	0.608181479	0.134206691	0.371796557
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	0.612933832	0.17877272	0.450978586
O58	0.123116844	0.280925358	0.415823537
H1	0.123116844	0.280925358	0.435823537
			
R_O+O_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Nd1	0.640337727	0.246546327	0.311434836
Mn1	0.131367329	0.765955202	0.410528009
Mn2	0.622931891	0.752478448	0.363637831
Mn3	0.629380658	0.22899592	0.420679608
Mn4	0.115461106	0.231442142	0.421293448
Mn5	0.35790422	0.488617959	0.366061754
Mn6	0.878394493	0.494213718	0.364536132
Mn7	0.369744555	0.998844583	0.354932265
Mn8	0.895891772	0.994601411	0.355211444
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	0.396865466	0.862801697	0.391765324
O2	0.863195415	0.855301506	0.390700693
O3	0.619980068	0.587456475	0.39043562
O4	0.119016458	0.578476048	0.390902636
O5	0.372728278	0.334004291	0.400668745
O6	0.871710435	0.338263607	0.39907118
O7	0.131205315	0.092203374	0.377202118
O8	0.633206262	0.11327614	0.370116502
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	0.872394237	0.150832796	0.446704721
O58	0.373251903	0.166975937	0.452404932
			
alpha_O+OH_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Nd1	0.420347948	0.15620572	0.592113192
Nd2	0.086882914	0.835292708	0.474586696
Nd3	0.75354958	0.501959375	0.358535626
Mn1	0.274363674	0.049596175	0.680919196
Mn2	0.06834205	0.518605817	0.657650448
Mn3	0.277323995	0.560723707	0.658816203
Mn4	0.564249797	0.525970116	0.658369645
Mn5	0.315717691	0.808116394	0.659230765
Mn6	0.816021109	0.314718543	0.654548497
Mn7	0.05513836	0.294250095	0.653597693
Mn8	0.55290938	0.790968009	0.6579378
Mn9	0.061051243	0.799926411	0.654767606
Mn10	0.54000905	0.309605797	0.654410994
Mn11	0.295479654	0.290046931	0.653167919
Mn12	0.541966999	0.073423653	0.653708613
Mn13	0.782240587	0.776949503	0.65140211
Mn14	0.83237015	0.034386069	0.65098692
Mn15	0.038875635	0.073154876	0.6527323
Mn16	0.829154467	0.533715414	0.654458115
Mn17	0.297204687	0.051989199	0.624060721
Mn18	0.66094855	0.136495899	0.603309712
Mn19	0.888437432	0.858985985	0.603756836
Mn20	0.60971687	0.392646431	0.600848543
Mn21	0.145746658	0.652095526	0.599972396
Mn22	0.610059091	0.886561673	0.600791242
Mn23	0.408541807	0.844486019	0.597015295
Mn24	0.386396885	0.633381253	0.596074697
Mn25	0.88113149	0.632798861	0.598151647
Mn26	0.886442502	0.129964602	0.597144535
Mn27	0.153923137	0.380067519	0.593795993
Mn28	0.367927589	0.421486815	0.592093995
Mn29	0.628368328	0.614502102	0.593492939
Mn30	0.160830507	0.874861349	0.593340192
Mn31	0.874865637	0.409410222	0.592610904
Mn32	0.108080104	0.135014675	0.590339967
Mn33	0.947747072	0.729456066	0.549224617
Mn34	0.72588157	0.195119991	0.544829801
Mn35	0.939836917	0.231157835	0.543008376
Mn36	0.223717301	0.195850887	0.543018971
Mn37	0.974474258	0.487701913	0.542344626
Mn38	0.479721312	0.979743923	0.536860675
Mn39	0.717215943	0.965972741	0.539295752
Mn40	0.218506743	0.465592665	0.538843958
Mn41	0.719747751	0.46624148	0.539223065
Mn42	0.217526036	0.966089294	0.53885321
Mn43	0.95627501	0.955628953	0.536720861
Mn44	0.219867535	0.731164811	0.535763663
Mn45	0.460129142	0.448414079	0.535038176
Mn46	0.496246656	0.700432016	0.534831748
Mn47	0.710385491	0.737858715	0.533174036
Mn48	0.496622577	0.203549245	0.531648454
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	0.997952069	0.434219319	0.673463276
O2	0.189900107	0.210331368	0.675458959
O3	0.969044694	0.238307691	0.671876316
O4	0.185587135	0.981504378	0.668835679
O5	0.23118331	0.441748807	0.667968253
O6	0.490099211	0.689213109	0.666532802
O7	0.715600039	0.688158041	0.665040292
O8	0.226369264	0.731690978	0.666104361
O9	0.441432368	0.473265114	0.665581312
O10	0.448486339	0.245803848	0.665185546
O11	0.994465096	0.961055233	0.663211849
O12	0.734468374	0.474897719	0.666417902
O13	0.112475142	0.63618542	0.648738966
O14	0.652203555	0.360727488	0.647390071
O15	0.388632772	0.90985864	0.654354287
O16	0.661007059	0.144285227	0.646951544
O17	0.617689364	0.896658017	0.653525417
O18	0.882537092	0.851744145	0.646341135
O19	0.373021904	0.135122802	0.638299226
O20	0.912232241	0.617326457	0.644021021
O21	0.877000145	0.161781742	0.638668282
O22	0.137107078	0.358204763	0.633256111
O23	0.909874774	0.38077574	0.631741357
O24	0.118323738	0.150726541	0.629791345
O25	0.301640201	0.577622678	0.616515723
O26	0.525761582	0.551276988	0.616623061
O27	0.332562464	0.771850299	0.616820033
O28	0.566915409	0.76419072	0.610410741
O29	0.076157656	0.812219909	0.610895558
O30	0.595849581	0.041622873	0.610259597
O31	0.513555695	0.320317042	0.609469769
O32	0.307513159	0.334965359	0.607494926
O33	0.831469947	0.016671095	0.60776498
O34	0.769563587	0.792277584	0.607443063
O35	0.781171088	0.570171117	0.605352697
O36	0.047807132	0.031157836	0.602647075
O37	0.723127851	0.235404664	0.590805884
O38	0.987628963	0.692676749	0.591641967
O39	0.444438144	0.967296832	0.593260521
O40	0.993361715	0.476502975	0.58595581
O41	0.25588944	0.946178574	0.58465252
O42	0.222936995	0.184768549	0.584626345
O43	0.935457165	0.250165651	0.584330046
O44	0.695970198	0.454370368	0.583016235
O45	0.205960184	0.512914062	0.578535055
O46	0.243959821	0.716079247	0.575173459
O47	0.447641214	0.491973043	0.57414616
O48	0.471301138	0.691745345	0.574265545
O49	0.63925045	0.125912085	0.562922019
O50	0.862715644	0.882077895	0.562998118
O51	0.629663567	0.907043403	0.557706193
O52	0.846614926	0.660838309	0.55468828
O53	0.892342622	0.100247433	0.556232553
O54	0.166266494	0.36112801	0.551324906
O55	0.395990058	0.351057917	0.548138444
O56	0.878874994	0.420823595	0.550666659
O57	0.103378209	0.130452111	0.549794283
O58	0.118827379	0.902238599	0.546428296
O59	0.658576407	0.631628902	0.545968433
O60	0.404651066	0.143174474	0.545320715
O61	0.777088826	0.302120071	0.532471015
O62	0.318676491	0.02488028	0.530403159
O63	0.038481507	0.587062445	0.52927094
O64	0.336466175	0.807661205	0.528465966
O65	0.27174366	0.568609515	0.527568164
O66	0.55971373	0.511808374	0.527600468
O67	0.024328419	0.79491402	0.523413416
O68	0.589620319	0.271836829	0.521694839
O69	0.545515234	0.830502436	0.520618557
O70	0.79605196	0.030651636	0.519422445
O71	0.57985051	0.046518314	0.51482387
O72	0.794560282	0.808391255	0.513349498
O73	0.963149109	0.235919588	0.503852091
O74	0.195280914	0.217320266	0.503097471
O75	0.995146244	0.439683098	0.502721275
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	0.387176913	0.040412138	0.704080687
O159	0.541966999	0.073423653	0.684767606
H1	0.541966999	0.073423653	0.704767606
			
alpha_O+O_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Nd1	0.420347948	0.15620572	0.592113192
Nd2	0.086882914	0.835292708	0.474586696
Nd3	0.75354958	0.501959375	0.358535626
Mn1	0.274363674	0.049596175	0.680919196
Mn2	0.06834205	0.518605817	0.657650448
Mn3	0.277323995	0.560723707	0.658816203
Mn4	0.563700092	0.526650445	0.65860339
Mn5	0.316668109	0.807541345	0.659321749
Mn6	0.81554138	0.31496586	0.654775603
Mn7	0.054314254	0.29476691	0.653215585
Mn8	0.55290938	0.790968009	0.6579378
Mn9	0.061051243	0.799926411	0.654767606
Mn10	0.54000905	0.309605797	0.654410994
Mn11	0.298138813	0.289106039	0.652137035
Mn12	0.552953445	0.067131211	0.653941476
Mn13	0.782240587	0.776949503	0.65140211
Mn14	0.83237015	0.034386069	0.65098692
Mn15	0.038875635	0.073154876	0.6527323
Mn16	0.828449757	0.534555088	0.654778352
Mn17	0.29720659	0.053064732	0.624869432
Mn18	0.66094855	0.136495899	0.603309712
Mn19	0.888437432	0.858985985	0.603756836
Mn20	0.60971687	0.392646431	0.600848543
Mn21	0.145830186	0.652087725	0.599901268
Mn22	0.610912974	0.885643877	0.601409676
Mn23	0.408176612	0.84463632	0.597581987
Mn24	0.386396885	0.633381253	0.596074697
Mn25	0.88113149	0.632798861	0.598151647
Mn26	0.886442502	0.129964602	0.597144535
Mn27	0.153674506	0.379670479	0.593661525
Mn28	0.367836827	0.421979625	0.592026308
Mn29	0.627436637	0.61382074	0.593690374
Mn30	0.160959067	0.874641254	0.593283177
Mn31	0.874084572	0.41002618	0.592607643
Mn32	0.108080104	0.135014675	0.590339967
Mn33	0.947747072	0.729456066	0.549224617
Mn34	0.72588157	0.195119991	0.544829801
Mn35	0.939825264	0.231421894	0.543032688
Mn36	0.223399112	0.195862089	0.543012059
Mn37	0.974286995	0.487876979	0.542311756
Mn38	0.479721312	0.979743923	0.536860675
Mn39	0.717215943	0.965972741	0.539295752
Mn40	0.218506743	0.465592665	0.538843958
Mn41	0.719692573	0.466399914	0.539206449
Mn42	0.217739032	0.965806109	0.538893038
Mn43	0.956327432	0.955614525	0.536715439
Mn44	0.219867535	0.731164811	0.535763663
Mn45	0.460129142	0.448414079	0.535038176
Mn46	0.496246656	0.700432016	0.534831748
Mn47	0.710523193	0.737478301	0.533222713
Mn48	0.496321565	0.203508576	0.531699386
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	0.999673516	0.432888893	0.673508921
O2	0.196967901	0.202064791	0.67399862
O3	0.96880117	0.239133256	0.671850889
O4	0.188502814	0.98050123	0.669516977
O5	0.233074858	0.440628451	0.667334514
O6	0.489930395	0.68996564	0.666955561
O7	0.715050196	0.689975076	0.66561463
O8	0.227356114	0.731297622	0.66601866
O9	0.440723183	0.473181958	0.665667813
O10	0.451887762	0.242117527	0.663396671
O11	0.994302178	0.961291957	0.662971011
O12	0.734401206	0.47543075	0.666635094
O13	0.112555502	0.636025507	0.648893772
O14	0.651749805	0.362011346	0.647608783
O15	0.388407912	0.9085536	0.652557451
O16	0.664294417	0.148137449	0.645608654
O17	0.61412745	0.895681639	0.647630979
O18	0.881819528	0.852114972	0.646208439
O19	0.376041769	0.13392223	0.638153194
O20	0.912206982	0.616895344	0.644273314
O21	0.876821585	0.162167793	0.638666389
O22	0.137900693	0.357047788	0.633090516
O23	0.909545793	0.381645235	0.631844774
O24	0.117130883	0.150467346	0.629628959
O25	0.301596344	0.577494427	0.616473118
O26	0.525543055	0.551329775	0.616654899
O27	0.331596476	0.771441324	0.61690252
O28	0.565230154	0.760974184	0.610803037
O29	0.076100972	0.812107561	0.610838894
O30	0.591422895	0.048859641	0.612542213
O31	0.513234385	0.322355607	0.609445921
O32	0.307550423	0.334808459	0.607289527
O33	0.83149153	0.016359211	0.607714322
O34	0.771224039	0.791955448	0.607002822
O35	0.780804442	0.570594112	0.605431222
O36	0.047716172	0.031059745	0.602462456
O37	0.723117882	0.235124645	0.590641671
O38	0.987955583	0.692341259	0.591588428
O39	0.445461056	0.966313116	0.593589627
O40	0.993172118	0.476484435	0.585997263
O41	0.255861026	0.945291864	0.584413027
O42	0.222219244	0.185510072	0.584598075
O43	0.935446461	0.25053049	0.584358735
O44	0.696237034	0.453854551	0.583031713
O45	0.2059032	0.512935107	0.578483877
O46	0.243797314	0.715819873	0.575137249
O47	0.447510502	0.492405763	0.574050114
O48	0.470458475	0.69198735	0.574200621
O49	0.637642609	0.125102009	0.563274931
O50	0.863000137	0.882202842	0.562954543
O51	0.628965165	0.907843451	0.558847315
O52	0.846787818	0.660399827	0.554603087
O53	0.892397965	0.100313443	0.556188023
O54	0.165972233	0.361374351	0.551290341
O55	0.395877739	0.351220433	0.548128444
O56	0.878802518	0.420991363	0.550607087
O57	0.103351649	0.130558954	0.549797075
O58	0.119014804	0.901932208	0.546315842
O59	0.658433928	0.631692417	0.546002818
O60	0.403960592	0.14337906	0.545231164
O61	0.776994722	0.302517471	0.532497551
O62	0.318636827	0.024580506	0.530397935
O63	0.03844689	0.587116567	0.52924168
O64	0.336643805	0.807507552	0.528378445
O65	0.27172505	0.568653399	0.527556015
O66	0.559685826	0.511759724	0.527581766
O67	0.024164456	0.794940214	0.523365707
O68	0.589432996	0.2716396	0.521747525
O69	0.546429385	0.830487808	0.520693515
O70	0.795528976	0.031098116	0.519412896
O71	0.579496446	0.045839762	0.514941277
O72	0.793558066	0.808896404	0.513460984
O73	0.963094969	0.23594294	0.503857734
O74	0.195281156	0.217249933	0.503097549
O75	0.995194415	0.439651254	0.502704535
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	0.364378283	0.009913597	0.706476384
O159	0.568307099	0.017028058	0.691017694
			
beta_O+OH_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Nd1	0.359358377	0.624962797	0.374996024
Nd2	0.360137306	0.127455423	0.541996854
Nd3	0.412531532	0.643832159	0.729935732
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	0.923038086	0.248851207	0.500243565
Mn57	0.800864562	0.000230123	0.499943467
Mn58	0.672681103	0.246507988	0.50038371
Mn59	0.679210931	0.750993337	0.500240585
Mn60	0.555688222	0.50642812	0.50075223
Mn61	0.296263025	0.507291957	0.500907139
Mn62	0.051050168	0.000441332	0.500582436
Mn63	0.168032197	0.747419864	0.502027814
Mn64	0.427633309	0.74646226	0.502089959
Mn65	0.423930924	0.50238756	0.581824917
Mn66	0.171727415	0.501267053	0.582278153
Mn67	0.052084006	0.249947662	0.58307534
Mn68	0.296669128	0.740945716	0.58266704
Mn69	0.555709235	0.742266459	0.581897332
Mn70	0.677672027	0.498125465	0.582630449
Mn71	0.672577458	0.003279354	0.582330301
Mn72	0.800336593	0.249699936	0.583417649
Mn73	0.924188567	0.001272229	0.582430025
Mn74	0.926514124	0.498196505	0.582964517
Mn75	0.80122927	0.750221203	0.582515699
Mn76	0.045823911	0.747121207	0.583822872
Mn77	0.550210861	0.25810139	0.587033421
Mn78	0.172883733	0.989770231	0.585492852
Mn79	0.426050176	0.969830654	0.588393966
Mn80	0.297684787	0.270524611	0.594323465
Mn81	0.300330001	0.495411519	0.66392448
Mn82	0.425649758	0.753821939	0.662199424
Mn83	0.17560923	0.748057248	0.666452798
Mn84	0.55099365	0.498815043	0.663677595
Mn85	0.048440168	-0.000726807	0.665741167
Mn86	0.801283777	1.002162414	0.664549073
Mn87	0.923990809	0.250265786	0.66697329
Mn88	0.92705394	0.747229927	0.667005935
Mn89	0.804479978	0.497422614	0.664881432
Mn90	0.676065646	0.760373813	0.66218104
Mn91	0.676346248	0.252488775	0.667676681
Mn92	0.554142179	0.003144576	0.665887566
Mn93	0.294026486	-0.00214155	0.666798119
Mn94	0.052725823	0.500387763	0.668602008
Mn95	0.170290494	0.250501471	0.670693453
Mn96	0.427076487	0.248211539	0.671308168
Mn97	0.422852159	-0.006221018	0.732164945
Mn98	0.169975577	0.00538175	0.752916289
Mn99	0.062203646	0.755692294	0.75304456
Mn100	0.292656968	0.232473	0.755830558
Mn101	0.544449935	0.211271591	0.759521232
Mn102	0.682528559	0.998832022	0.75059862
Mn103	0.682076582	0.627489114	0.714361903
Mn104	0.8094387	0.765121129	0.758417415
Mn105	0.915952193	0.508320878	0.746802808
Mn106	0.926650385	1.006995869	0.742979883
Mn107	0.789371402	0.252358462	0.752648174
Mn108	0.03999498	0.255214145	0.753973939
Mn109	0.553697208	0.794465905	0.78621015
Mn110	0.197313991	0.483740862	0.746959474
Mn111	0.501750636	0.40491623	0.738278567
Mn112	0.299972581	0.785823124	0.777643926
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	0.921549215	0.597702431	0.50054051
O104	0.679280444	0.599287439	0.500457515
O105	0.426847058	0.894042855	0.500244004
O106	0.672381484	0.093370279	0.500442151
O107	0.674168141	0.403976777	0.500830015
O108	0.925387387	0.096632205	0.501035528
O109	0.169534689	0.5984974	0.501207361
O110	0.426330342	0.59988245	0.501407055
O111	0.678883552	0.901447912	0.501493606
O112	0.187954828	0.090144686	0.502179809
O113	0.299544751	0.281782878	0.526576654
O114	0.535176166	0.24397975	0.530764731
O115	0.051753323	0.250178519	0.531572714
O116	0.798361589	0.248734928	0.532531426
O117	0.802213928	0.750947162	0.532428758
O118	0.554597474	0.747011644	0.53250091
O119	0.044880313	0.750220312	0.53314783
O120	0.297157584	0.746194691	0.533354161
O121	0.298300047	0.501334517	0.550332689
O122	0.046968141	0.49788117	0.550338011
O123	0.552873548	0.500449121	0.550813618
O124	0.801087727	0.497518884	0.550737163
O125	0.798914501	0.001833434	0.550556062
O126	0.052315995	1.000631636	0.551502279
O127	0.536083149	0.006358853	0.551815599
O128	0.299252125	0.969994718	0.555133853
O129	0.189276106	0.159717998	0.582269914
O130	0.677037605	0.348277944	0.582908989
O131	0.42596865	0.649093959	0.582492826
O132	0.170219985	0.650373047	0.582835275
O133	0.926050333	0.153383166	0.583567216
O134	0.674543089	0.844559662	0.582168925
O135	0.671400977	0.156396145	0.583802589
O136	0.424743814	0.354693689	0.583708847
O137	0.680073604	0.649982783	0.583366746
O138	0.923015739	0.651369522	0.583612927
O139	0.926478193	0.345150014	0.5835446
O140	0.171272793	0.351967186	0.58421862
O141	0.924827219	0.846539453	0.583784171
O142	0.427069746	0.830437267	0.583584377
O143	0.17120565	0.839304193	0.585503182
O144	0.423195154	0.169821285	0.594278752
O145	0.298529709	0.498669219	0.612853931
O146	0.549311467	0.499890714	0.614963057
O147	0.799033894	0.000486678	0.614158188
O148	0.050790883	0.500796932	0.615347728
O149	0.80261312	0.496435828	0.61534972
O150	0.045797343	0.00246956	0.615496691
O151	0.550707992	-0.003140525	0.616657707
O152	0.301626698	-0.003342805	0.617843055
O153	0.299086654	0.74762128	0.632807076
O154	0.552455777	0.751412319	0.631680775
O155	0.049247818	0.743785824	0.634961764
O156	0.799609188	0.252851976	0.634648059
O157	0.051595262	0.2526192	0.635577762
O158	0.802485352	0.75214146	0.633434262
O159	0.549684671	0.257685839	0.637481853
O160	0.298407857	0.26208246	0.641205358
O161	0.423210126	0.596604127	0.66696111
O162	0.171423941	0.901317252	0.66403437
O163	0.428347752	0.904612023	0.670748791
O164	0.923638383	0.902554491	0.668090568
O165	0.176824064	0.402970712	0.674523469
O166	0.925430753	0.403803931	0.670819034
O167	0.92453718	0.096874242	0.667772469
O168	0.67633259	0.099789264	0.665305952
O169	0.429870584	0.403545526	0.673207652
O170	0.678046616	0.599615521	0.664540862
O171	0.676760828	0.904642443	0.665868171
O172	0.927023689	0.596016795	0.668152649
O173	0.173255978	0.096205121	0.665803434
O174	0.424076525	0.094408369	0.673103202
O175	0.675776152	0.405038199	0.667340959
O176	0.180652039	0.595822215	0.671264838
O177	0.307685004	0.753196018	0.69629331
O178	0.558627768	0.737443207	0.697827662
O179	0.053126376	0.75134507	0.699089504
O180	0.785750667	0.740325562	0.700279482
O181	0.798964243	0.24984117	0.699252524
O182	0.550643109	0.253342238	0.702606573
O183	0.0444425	0.24773351	0.700624791
O184	0.298613216	0.245182932	0.703221801
O185	0.27816326	-0.014402308	0.716849981
O186	0.055610775	1.001890007	0.716983531
O187	0.569207938	0.003334434	0.717085446
O188	0.796128339	0.996029744	0.716803359
O189	0.786053892	0.519906411	0.716306437
O190	0.058022231	0.505743145	0.725786124
O191	0.562161878	0.525765304	0.715752031
O192	0.356258234	0.482124489	0.739501515
O193	0.204257148	0.668200866	0.760413866
O194	0.694989234	0.86989062	0.770977556
O195	0.411233818	0.119279428	0.75939739
O196	0.159917698	0.149540435	0.764458753
O197	0.928868843	0.65732073	0.760633211
O198	0.643435012	0.329402144	0.759609584
O199	0.678223057	0.674447969	0.759644878
O200	0.430762021	0.879024601	0.765754674
O201	0.683168699	0.13617147	0.7657003
O202	0.918602641	0.153136982	0.758743491
O203	0.936610316	0.860078496	0.758909581
O204	0.167291775	0.866286551	0.771716651
O205	0.912501281	0.358171136	0.759354209
O206	0.426756208	0.309504238	0.767586867
O207	0.175337707	0.343093816	0.761976716
O208	0.427963393	0.700424991	0.786712162
O209	0.58133443	0.803863323	0.828033964
O210	0.8094387	0.765121129	0.798417415
H1	0.8094387	0.765121129	0.818417415
			
beta_O+O_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Nd1	0.359358377	0.624962797	0.374996024
Nd2	0.358854612	0.126603132	0.541724224
Nd3	0.376014247	0.60846787	0.731419431
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	0.92297056	0.248881375	0.50000984
Mn57	0.800807374	0.000315907	0.500091439
Mn58	0.672214794	0.246729657	0.500205384
Mn59	0.678993445	0.751340266	0.500428127
Mn60	0.555032344	0.506973386	0.500463476
Mn61	0.295905379	0.507328978	0.500903799
Mn62	0.051005665	0.000428072	0.500888283
Mn63	0.168005519	0.747755669	0.502168963
Mn64	0.427425832	0.746942133	0.502351025
Mn65	0.424017308	0.503865104	0.581998939
Mn66	0.170431967	0.503136864	0.582275953
Mn67	0.051400481	0.250006869	0.582138508
Mn68	0.296287715	0.74302483	0.583391767
Mn69	0.554291157	0.744269176	0.58270213
Mn70	0.675862273	0.501007057	0.582022779
Mn71	0.671906885	0.004113801	0.582826489
Mn72	0.800499357	0.250474284	0.582263936
Mn73	0.923392455	0.0018157	0.582787299
Mn74	0.924000395	0.50010491	0.582232732
Mn75	0.800055613	0.752115867	0.582989356
Mn76	0.045110977	0.748648518	0.584111047
Mn77	0.55109903	0.259036678	0.586212664
Mn78	0.172001284	0.991561206	0.58667696
Mn79	0.425366565	0.972651139	0.589628696
Mn80	0.298374177	0.271299287	0.593705365
Mn81	0.293988246	0.496765912	0.662480051
Mn82	0.424041866	0.752297518	0.664778752
Mn83	0.174252439	0.748228942	0.666632327
Mn84	0.542372648	0.506794484	0.66283587
Mn85	0.04679051	-0.002417606	0.666931077
Mn86	0.80140066	1.003846569	0.665701164
Mn87	0.922574541	0.25521296	0.667056681
Mn88	0.925433901	0.750916354	0.668322882
Mn89	0.800993234	0.504279269	0.663573287
Mn90	0.674315977	0.761936457	0.66364217
Mn91	0.678166463	0.244579291	0.664967976
Mn92	0.552490862	0.000721715	0.667112278
Mn93	0.29591093	-0.007553185	0.668637791
Mn94	0.045072508	0.504689478	0.664592032
Mn95	0.167421876	0.235017072	0.666599302
Mn96	0.42666839	0.255510703	0.67289209
Mn97	0.425621666	0.011093899	0.732749474
Mn98	0.171199447	0.011079269	0.753767788
Mn99	0.062388567	0.760897579	0.753664888
Mn100	0.298331725	0.243154873	0.760094374
Mn101	0.54220335	0.238513435	0.761095203
Mn102	0.679426875	1.00683957	0.752415724
Mn103	0.669476892	0.62999955	0.715251914
Mn104	0.810747603	0.760072883	0.762262764
Mn105	0.924662282	0.503163095	0.747035556
Mn106	0.924604008	0.999425042	0.74306405
Mn107	0.798511988	0.241629494	0.757863761
Mn108	0.041295982	0.243977229	0.759657552
Mn109	0.555401908	0.793482956	0.777353493
Mn110	0.165398808	0.381311582	0.713814484
Mn111	0.662883161	0.390448091	0.717087606
Mn112	0.304612818	0.801940163	0.770313333
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	0.921514832	0.597678724	0.500616818
O104	0.679075583	0.59947781	0.500595781
O105	0.426461049	0.894396048	0.500792865
O106	0.67232247	0.093589532	0.500644984
O107	0.673649234	0.404488324	0.500970373
O108	0.925302792	0.096822716	0.501294535
O109	0.169339199	0.598617894	0.501217876
O110	0.425705914	0.60019787	0.501433599
O111	0.678796799	0.9015846	0.501595661
O112	0.187699126	0.090165336	0.502307398
O113	0.299501843	0.282087636	0.526697724
O114	0.53529611	0.244746716	0.530655028
O115	0.05172725	0.251548432	0.531431198
O116	0.797924746	0.250391897	0.53212528
O117	0.801975133	0.751867679	0.532702264
O118	0.554212222	0.747799292	0.532936851
O119	0.044700039	0.750834614	0.533239277
O120	0.296764067	0.747013128	0.533775228
O121	0.296870004	0.50161398	0.550764672
O122	0.047068318	0.498760879	0.550245766
O123	0.550311474	0.501825548	0.550625075
O124	0.800129558	0.498553817	0.55041974
O125	0.798265553	0.000859785	0.550870945
O126	0.052239428	0.999805042	0.552073621
O127	0.535298596	0.006704188	0.552492037
O128	0.298374786	0.970939372	0.556809833
O129	0.187796806	0.159810687	0.581941327
O130	0.677417935	0.350360323	0.58300091
O131	0.424910901	0.650765848	0.582904299
O132	0.169668099	0.651900663	0.583274859
O133	0.92531399	0.153833693	0.581715168
O134	0.673268433	0.846193986	0.583129241
O135	0.671954305	0.157495823	0.583091381
O136	0.426168037	0.357026212	0.584232571
O137	0.679029948	0.652163785	0.58336595
O138	0.921486728	0.653143787	0.583702996
O139	0.92579339	0.346414408	0.583566837
O140	0.169517007	0.353637572	0.585497446
O141	0.923787504	0.847911196	0.584429608
O142	0.426514895	0.832557593	0.584472943
O143	0.170536148	0.840441114	0.586429462
O144	0.424380959	0.170349263	0.593324546
O145	0.297403757	0.502353077	0.613842755
O146	0.549043692	0.506712918	0.614284819
O147	0.799108077	0.002920726	0.614801591
O148	0.04619364	0.506219453	0.614612408
O149	0.799690884	0.501497414	0.614692416
O150	0.043904376	0.003653164	0.616608718
O151	0.550217144	-0.000616363	0.617720965
O152	0.301454261	-0.001171181	0.619709309
O153	0.299641881	0.750562956	0.634040899
O154	0.550525744	0.751678797	0.633217822
O155	0.046914494	0.74896191	0.63544993
O156	0.800985352	0.248798346	0.63393798
O157	0.047392446	0.241683466	0.634173531
O158	0.800882646	0.754501578	0.634702402
O159	0.55290089	0.253998174	0.636319478
O160	0.30012082	0.246251797	0.641220714
O161	0.414933846	0.597731054	0.667576453
O162	0.17102031	0.899247775	0.665728417
O163	0.427918154	0.901107772	0.670823551
O164	0.92170348	0.904121195	0.671277697
O165	0.166749305	0.399417024	0.663820462
O166	0.920629409	0.408300118	0.665223078
O167	0.925208853	0.099035171	0.670354367
O168	0.675116908	0.099457499	0.666301814
O169	0.42544377	0.409368797	0.664329446
O170	0.674004836	0.603954251	0.66515277
O171	0.677012344	0.905566712	0.667064167
O172	0.923248317	0.598309697	0.668882287
O173	0.173429889	0.09101753	0.668830223
O174	0.422125718	0.090338649	0.679281485
O175	0.67075482	0.408595728	0.666840403
O176	0.173167146	0.59602334	0.665690149
O177	0.306397625	0.747011632	0.698502016
O178	0.556025755	0.73700381	0.699890365
O179	0.053992821	0.750782424	0.699407521
O180	0.782093602	0.739068048	0.702947792
O181	0.795045516	0.262463445	0.699925292
O182	0.565530173	0.267610698	0.703318492
O183	0.052607134	0.264957566	0.701695475
O184	0.273458088	0.263505681	0.704624463
O185	0.281125939	-0.019517511	0.719491542
O186	0.057395138	1.005747768	0.718809579
O187	0.570755289	0.000824186	0.717661947
O188	0.793183818	1.011150088	0.718376574
O189	0.776167349	0.510894827	0.716924982
O190	0.056553244	0.486246721	0.714219919
O191	0.553769511	0.524110542	0.714847162
O192	0.283780299	0.47306204	0.71223511
O193	0.205398189	0.689083971	0.761066643
O194	0.692489054	0.870103031	0.764636975
O195	0.418299485	0.13886216	0.760324223
O196	0.168274353	0.149372842	0.768206567
O197	0.93421201	0.659510738	0.758180635
O198	0.671630024	0.338923252	0.762197315
O199	0.672155451	0.675395087	0.760933284
O200	0.436695042	0.89825039	0.766822385
O201	0.673587658	0.144329942	0.767457968
O202	0.921419633	0.140075989	0.762536825
O203	0.933216719	0.857814795	0.756895527
O204	0.164585758	0.877390516	0.771744112
O205	0.918587761	0.343317244	0.762852362
O206	0.421966969	0.330640261	0.766723847
O207	0.166095906	0.343867653	0.760412423
O208	0.427248477	0.707904879	0.777466125
O209	0.587835898	0.79323774	0.819479066
O210	0.819696753	0.756967628	0.809450937
			
R_O+OH_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Nd1	0.640337727	0.246546327	0.311434836
Mn1	0.131367329	0.765955202	0.410528009
Mn2	0.622931891	0.752478448	0.363637831
Mn3	0.629380658	0.22899592	0.420679608
Mn4	0.115461106	0.231442142	0.421293448
Mn5	0.35790422	0.488617959	0.366061754
Mn6	0.878394493	0.494213718	0.364536132
Mn7	0.369744555	0.998844583	0.354932265
Mn8	0.895891772	0.994601411	0.355211444
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	0.396865466	0.862801697	0.391765324
O2	0.863195415	0.855301506	0.390700693
O3	0.619980068	0.587456475	0.39043562
O4	0.119016458	0.578476048	0.390902636
O5	0.372728278	0.334004291	0.400668745
O6	0.871710435	0.338263607	0.39907118
O7	0.131205315	0.092203374	0.377202118
O8	0.633206262	0.11327614	0.370116502
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	0.872394237	0.150832796	0.446704721
O58	0.373251903	0.166975937	0.452404932
H1	0.374956433	0.084081739	0.46759399
			
R_O+O_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Nd1	0.640337727	0.246546327	0.311434836
Mn1	0.131367329	0.765955202	0.410528009
Mn2	0.622931891	0.752478448	0.363637831
Mn3	0.629380658	0.22899592	0.420679608
Mn4	0.115461106	0.231442142	0.421293448
Mn5	0.35790422	0.488617959	0.366061754
Mn6	0.878394493	0.494213718	0.364536132
Mn7	0.369744555	0.998844583	0.354932265
Mn8	0.895891772	0.994601411	0.355211444
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	0.396865466	0.862801697	0.391765324
O2	0.863195415	0.855301506	0.390700693
O3	0.619980068	0.587456475	0.39043562
O4	0.119016458	0.578476048	0.390902636
O5	0.372728278	0.334004291	0.400668745
O6	0.871710435	0.338263607	0.39907118
O7	0.131205315	0.092203374	0.377202118
O8	0.633206262	0.11327614	0.370116502
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	0.872394237	0.150832796	0.446704721
O58	0.373251903	0.166975937	0.452404932
			
alpha_O+OH_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Nd1	0.420347948	0.15620572	0.592113192
Nd2	0.086882914	0.835292708	0.474586696
Nd3	0.75354958	0.501959375	0.358535626
Mn1	0.274363674	0.049596175	0.680919196
Mn2	0.06834205	0.518605817	0.657650448
Mn3	0.277323995	0.560723707	0.658816203
Mn4	0.563700092	0.526650445	0.65860339
Mn5	0.316668109	0.807541345	0.659321749
Mn6	0.81554138	0.31496586	0.654775603
Mn7	0.054314254	0.29476691	0.653215585
Mn8	0.55290938	0.790968009	0.6579378
Mn9	0.061051243	0.799926411	0.654767606
Mn10	0.54000905	0.309605797	0.654410994
Mn11	0.298138813	0.289106039	0.652137035
Mn12	0.552953445	0.067131211	0.653941476
Mn13	0.782240587	0.776949503	0.65140211
Mn14	0.83237015	0.034386069	0.65098692
Mn15	0.038875635	0.073154876	0.6527323
Mn16	0.828449757	0.534555088	0.654778352
Mn17	0.29720659	0.053064732	0.624869432
Mn18	0.66094855	0.136495899	0.603309712
Mn19	0.888437432	0.858985985	0.603756836
Mn20	0.60971687	0.392646431	0.600848543
Mn21	0.145830186	0.652087725	0.599901268
Mn22	0.610912974	0.885643877	0.601409676
Mn23	0.408176612	0.84463632	0.597581987
Mn24	0.386396885	0.633381253	0.596074697
Mn25	0.88113149	0.632798861	0.598151647
Mn26	0.886442502	0.129964602	0.597144535
Mn27	0.153674506	0.379670479	0.593661525
Mn28	0.367836827	0.421979625	0.592026308
Mn29	0.627436637	0.61382074	0.593690374
Mn30	0.160959067	0.874641254	0.593283177
Mn31	0.874084572	0.41002618	0.592607643
Mn32	0.108080104	0.135014675	0.590339967
Mn33	0.947747072	0.729456066	0.549224617
Mn34	0.72588157	0.195119991	0.544829801
Mn35	0.939825264	0.231421894	0.543032688
Mn36	0.223399112	0.195862089	0.543012059
Mn37	0.974286995	0.487876979	0.542311756
Mn38	0.479721312	0.979743923	0.536860675
Mn39	0.717215943	0.965972741	0.539295752
Mn40	0.218506743	0.465592665	0.538843958
Mn41	0.719692573	0.466399914	0.539206449
Mn42	0.217739032	0.965806109	0.538893038
Mn43	0.956327432	0.955614525	0.536715439
Mn44	0.219867535	0.731164811	0.535763663
Mn45	0.460129142	0.448414079	0.535038176
Mn46	0.496246656	0.700432016	0.534831748
Mn47	0.710523193	0.737478301	0.533222713
Mn48	0.496321565	0.203508576	0.531699386
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	0.999673516	0.432888893	0.673508921
O2	0.196967901	0.202064791	0.67399862
O3	0.96880117	0.239133256	0.671850889
O4	0.188502814	0.98050123	0.669516977
O5	0.233074858	0.440628451	0.667334514
O6	0.489930395	0.68996564	0.666955561
O7	0.715050196	0.689975076	0.66561463
O8	0.227356114	0.731297622	0.66601866
O9	0.440723183	0.473181958	0.665667813
O10	0.451887762	0.242117527	0.663396671
O11	0.994302178	0.961291957	0.662971011
O12	0.734401206	0.47543075	0.666635094
O13	0.112555502	0.636025507	0.648893772
O14	0.651749805	0.362011346	0.647608783
O15	0.388407912	0.9085536	0.652557451
O16	0.664294417	0.148137449	0.645608654
O17	0.61412745	0.895681639	0.647630979
O18	0.881819528	0.852114972	0.646208439
O19	0.376041769	0.13392223	0.638153194
O20	0.912206982	0.616895344	0.644273314
O21	0.876821585	0.162167793	0.638666389
O22	0.137900693	0.357047788	0.633090516
O23	0.909545793	0.381645235	0.631844774
O24	0.117130883	0.150467346	0.629628959
O25	0.301596344	0.577494427	0.616473118
O26	0.525543055	0.551329775	0.616654899
O27	0.331596476	0.771441324	0.61690252
O28	0.565230154	0.760974184	0.610803037
O29	0.076100972	0.812107561	0.610838894
O30	0.591422895	0.048859641	0.612542213
O31	0.513234385	0.322355607	0.609445921
O32	0.307550423	0.334808459	0.607289527
O33	0.83149153	0.016359211	0.607714322
O34	0.771224039	0.791955448	0.607002822
O35	0.780804442	0.570594112	0.605431222
O36	0.047716172	0.031059745	0.602462456
O37	0.723117882	0.235124645	0.590641671
O38	0.987955583	0.692341259	0.591588428
O39	0.445461056	0.966313116	0.593589627
O40	0.993172118	0.476484435	0.585997263
O41	0.255861026	0.945291864	0.584413027
O42	0.222219244	0.185510072	0.584598075
O43	0.935446461	0.25053049	0.584358735
O44	0.696237034	0.453854551	0.583031713
O45	0.2059032	0.512935107	0.578483877
O46	0.243797314	0.715819873	0.575137249
O47	0.447510502	0.492405763	0.574050114
O48	0.470458475	0.69198735	0.574200621
O49	0.637642609	0.125102009	0.563274931
O50	0.863000137	0.882202842	0.562954543
O51	0.628965165	0.907843451	0.558847315
O52	0.846787818	0.660399827	0.554603087
O53	0.892397965	0.100313443	0.556188023
O54	0.165972233	0.361374351	0.551290341
O55	0.395877739	0.351220433	0.548128444
O56	0.878802518	0.420991363	0.550607087
O57	0.103351649	0.130558954	0.549797075
O58	0.119014804	0.901932208	0.546315842
O59	0.658433928	0.631692417	0.546002818
O60	0.403960592	0.14337906	0.545231164
O61	0.776994722	0.302517471	0.532497551
O62	0.318636827	0.024580506	0.530397935
O63	0.03844689	0.587116567	0.52924168
O64	0.336643805	0.807507552	0.528378445
O65	0.27172505	0.568653399	0.527556015
O66	0.559685826	0.511759724	0.527581766
O67	0.024164456	0.794940214	0.523365707
O68	0.589432996	0.2716396	0.521747525
O69	0.546429385	0.830487808	0.520693515
O70	0.795528976	0.031098116	0.519412896
O71	0.579496446	0.045839762	0.514941277
O72	0.793558066	0.808896404	0.513460984
O73	0.963094969	0.23594294	0.503857734
O74	0.195281156	0.217249933	0.503097549
O75	0.995194415	0.439651254	0.502704535
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	0.364378283	0.009913597	0.706476384
O159	0.588307099	0.037028058	0.691017694
H1	0.522555652	0.074004793	0.703047558
			
alpha_O+O_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Nd1	0.420347948	0.15620572	0.592113192
Nd2	0.086882914	0.835292708	0.474586696
Nd3	0.75354958	0.501959375	0.358535626
Mn1	0.274363674	0.049596175	0.680919196
Mn2	0.06834205	0.518605817	0.657650448
Mn3	0.277323995	0.560723707	0.658816203
Mn4	0.563700092	0.526650445	0.65860339
Mn5	0.316668109	0.807541345	0.659321749
Mn6	0.81554138	0.31496586	0.654775603
Mn7	0.054314254	0.29476691	0.653215585
Mn8	0.55290938	0.790968009	0.6579378
Mn9	0.061051243	0.799926411	0.654767606
Mn10	0.54000905	0.309605797	0.654410994
Mn11	0.298138813	0.289106039	0.652137035
Mn12	0.552953445	0.067131211	0.653941476
Mn13	0.782240587	0.776949503	0.65140211
Mn14	0.83237015	0.034386069	0.65098692
Mn15	0.038875635	0.073154876	0.6527323
Mn16	0.828449757	0.534555088	0.654778352
Mn17	0.29720659	0.053064732	0.624869432
Mn18	0.66094855	0.136495899	0.603309712
Mn19	0.888437432	0.858985985	0.603756836
Mn20	0.60971687	0.392646431	0.600848543
Mn21	0.145830186	0.652087725	0.599901268
Mn22	0.610912974	0.885643877	0.601409676
Mn23	0.408176612	0.84463632	0.597581987
Mn24	0.386396885	0.633381253	0.596074697
Mn25	0.88113149	0.632798861	0.598151647
Mn26	0.886442502	0.129964602	0.597144535
Mn27	0.153674506	0.379670479	0.593661525
Mn28	0.367836827	0.421979625	0.592026308
Mn29	0.627436637	0.61382074	0.593690374
Mn30	0.160959067	0.874641254	0.593283177
Mn31	0.874084572	0.41002618	0.592607643
Mn32	0.108080104	0.135014675	0.590339967
Mn33	0.947747072	0.729456066	0.549224617
Mn34	0.72588157	0.195119991	0.544829801
Mn35	0.939825264	0.231421894	0.543032688
Mn36	0.223399112	0.195862089	0.543012059
Mn37	0.974286995	0.487876979	0.542311756
Mn38	0.479721312	0.979743923	0.536860675
Mn39	0.717215943	0.965972741	0.539295752
Mn40	0.218506743	0.465592665	0.538843958
Mn41	0.719692573	0.466399914	0.539206449
Mn42	0.217739032	0.965806109	0.538893038
Mn43	0.956327432	0.955614525	0.536715439
Mn44	0.219867535	0.731164811	0.535763663
Mn45	0.460129142	0.448414079	0.535038176
Mn46	0.496246656	0.700432016	0.534831748
Mn47	0.710523193	0.737478301	0.533222713
Mn48	0.496321565	0.203508576	0.531699386
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	0.999673516	0.432888893	0.673508921
O2	0.196967901	0.202064791	0.67399862
O3	0.96880117	0.239133256	0.671850889
O4	0.188502814	0.98050123	0.669516977
O5	0.233074858	0.440628451	0.667334514
O6	0.489930395	0.68996564	0.666955561
O7	0.715050196	0.689975076	0.66561463
O8	0.227356114	0.731297622	0.66601866
O9	0.440723183	0.473181958	0.665667813
O10	0.451887762	0.242117527	0.663396671
O11	0.994302178	0.961291957	0.662971011
O12	0.734401206	0.47543075	0.666635094
O13	0.112555502	0.636025507	0.648893772
O14	0.651749805	0.362011346	0.647608783
O15	0.388407912	0.9085536	0.652557451
O16	0.664294417	0.148137449	0.645608654
O17	0.61412745	0.895681639	0.647630979
O18	0.881819528	0.852114972	0.646208439
O19	0.376041769	0.13392223	0.638153194
O20	0.912206982	0.616895344	0.644273314
O21	0.876821585	0.162167793	0.638666389
O22	0.137900693	0.357047788	0.633090516
O23	0.909545793	0.381645235	0.631844774
O24	0.117130883	0.150467346	0.629628959
O25	0.301596344	0.577494427	0.616473118
O26	0.525543055	0.551329775	0.616654899
O27	0.331596476	0.771441324	0.61690252
O28	0.565230154	0.760974184	0.610803037
O29	0.076100972	0.812107561	0.610838894
O30	0.591422895	0.048859641	0.612542213
O31	0.513234385	0.322355607	0.609445921
O32	0.307550423	0.334808459	0.607289527
O33	0.83149153	0.016359211	0.607714322
O34	0.771224039	0.791955448	0.607002822
O35	0.780804442	0.570594112	0.605431222
O36	0.047716172	0.031059745	0.602462456
O37	0.723117882	0.235124645	0.590641671
O38	0.987955583	0.692341259	0.591588428
O39	0.445461056	0.966313116	0.593589627
O40	0.993172118	0.476484435	0.585997263
O41	0.255861026	0.945291864	0.584413027
O42	0.222219244	0.185510072	0.584598075
O43	0.935446461	0.25053049	0.584358735
O44	0.696237034	0.453854551	0.583031713
O45	0.2059032	0.512935107	0.578483877
O46	0.243797314	0.715819873	0.575137249
O47	0.447510502	0.492405763	0.574050114
O48	0.470458475	0.69198735	0.574200621
O49	0.637642609	0.125102009	0.563274931
O50	0.863000137	0.882202842	0.562954543
O51	0.628965165	0.907843451	0.558847315
O52	0.846787818	0.660399827	0.554603087
O53	0.892397965	0.100313443	0.556188023
O54	0.165972233	0.361374351	0.551290341
O55	0.395877739	0.351220433	0.548128444
O56	0.878802518	0.420991363	0.550607087
O57	0.103351649	0.130558954	0.549797075
O58	0.119014804	0.901932208	0.546315842
O59	0.658433928	0.631692417	0.546002818
O60	0.403960592	0.14337906	0.545231164
O61	0.776994722	0.302517471	0.532497551
O62	0.318636827	0.024580506	0.530397935
O63	0.03844689	0.587116567	0.52924168
O64	0.336643805	0.807507552	0.528378445
O65	0.27172505	0.568653399	0.527556015
O66	0.559685826	0.511759724	0.527581766
O67	0.024164456	0.794940214	0.523365707
O68	0.589432996	0.2716396	0.521747525
O69	0.546429385	0.830487808	0.520693515
O70	0.795528976	0.031098116	0.519412896
O71	0.579496446	0.045839762	0.514941277
O72	0.793558066	0.808896404	0.513460984
O73	0.963094969	0.23594294	0.503857734
O74	0.195281156	0.217249933	0.503097549
O75	0.995194415	0.439651254	0.502704535
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	0.404378283	0.014913597	0.706476384
O159	0.568307099	0.017028058	0.691017694
			
beta_O+OH_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Nd1	0.359358377	0.624962797	0.374996024
Nd2	0.358854612	0.126603132	0.541724224
Nd3	0.376014247	0.60846787	0.731419431
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	0.92297056	0.248881375	0.50000984
Mn57	0.800807374	0.000315907	0.500091439
Mn58	0.672214794	0.246729657	0.500205384
Mn59	0.678993445	0.751340266	0.500428127
Mn60	0.555032344	0.506973386	0.500463476
Mn61	0.295905379	0.507328978	0.500903799
Mn62	0.051005665	0.000428072	0.500888283
Mn63	0.168005519	0.747755669	0.502168963
Mn64	0.427425832	0.746942133	0.502351025
Mn65	0.424017308	0.503865104	0.581998939
Mn66	0.170431967	0.503136864	0.582275953
Mn67	0.051400481	0.250006869	0.582138508
Mn68	0.296287715	0.74302483	0.583391767
Mn69	0.554291157	0.744269176	0.58270213
Mn70	0.675862273	0.501007057	0.582022779
Mn71	0.671906885	0.004113801	0.582826489
Mn72	0.800499357	0.250474284	0.582263936
Mn73	0.923392455	0.0018157	0.582787299
Mn74	0.924000395	0.50010491	0.582232732
Mn75	0.800055613	0.752115867	0.582989356
Mn76	0.045110977	0.748648518	0.584111047
Mn77	0.55109903	0.259036678	0.586212664
Mn78	0.172001284	0.991561206	0.58667696
Mn79	0.425366565	0.972651139	0.589628696
Mn80	0.298374177	0.271299287	0.593705365
Mn81	0.293988246	0.496765912	0.662480051
Mn82	0.424041866	0.752297518	0.664778752
Mn83	0.174252439	0.748228942	0.666632327
Mn84	0.542372648	0.506794484	0.66283587
Mn85	0.04679051	-0.002417606	0.666931077
Mn86	0.80140066	1.003846569	0.665701164
Mn87	0.922574541	0.25521296	0.667056681
Mn88	0.925433901	0.750916354	0.668322882
Mn89	0.800993234	0.504279269	0.663573287
Mn90	0.674315977	0.761936457	0.66364217
Mn91	0.678166463	0.244579291	0.664967976
Mn92	0.552490862	0.000721715	0.667112278
Mn93	0.29591093	-0.007553185	0.668637791
Mn94	0.045072508	0.504689478	0.664592032
Mn95	0.167421876	0.235017072	0.666599302
Mn96	0.42666839	0.255510703	0.67289209
Mn97	0.425621666	0.011093899	0.732749474
Mn98	0.171199447	0.011079269	0.753767788
Mn99	0.062388567	0.760897579	0.753664888
Mn100	0.298331725	0.243154873	0.760094374
Mn101	0.54220335	0.238513435	0.761095203
Mn102	0.679426875	1.00683957	0.752415724
Mn103	0.669476892	0.62999955	0.715251914
Mn104	0.810747603	0.760072883	0.762262764
Mn105	0.924662282	0.503163095	0.747035556
Mn106	0.924604008	0.999425042	0.74306405
Mn107	0.798511988	0.241629494	0.757863761
Mn108	0.041295982	0.243977229	0.759657552
Mn109	0.555401908	0.793482956	0.777353493
Mn110	0.165398808	0.381311582	0.713814484
Mn111	0.662883161	0.390448091	0.717087606
Mn112	0.304612818	0.801940163	0.770313333
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	0.921514832	0.597678724	0.500616818
O104	0.679075583	0.59947781	0.500595781
O105	0.426461049	0.894396048	0.500792865
O106	0.67232247	0.093589532	0.500644984
O107	0.673649234	0.404488324	0.500970373
O108	0.925302792	0.096822716	0.501294535
O109	0.169339199	0.598617894	0.501217876
O110	0.425705914	0.60019787	0.501433599
O111	0.678796799	0.9015846	0.501595661
O112	0.187699126	0.090165336	0.502307398
O113	0.299501843	0.282087636	0.526697724
O114	0.53529611	0.244746716	0.530655028
O115	0.05172725	0.251548432	0.531431198
O116	0.797924746	0.250391897	0.53212528
O117	0.801975133	0.751867679	0.532702264
O118	0.554212222	0.747799292	0.532936851
O119	0.044700039	0.750834614	0.533239277
O120	0.296764067	0.747013128	0.533775228
O121	0.296870004	0.50161398	0.550764672
O122	0.047068318	0.498760879	0.550245766
O123	0.550311474	0.501825548	0.550625075
O124	0.800129558	0.498553817	0.55041974
O125	0.798265553	0.000859785	0.550870945
O126	0.052239428	0.999805042	0.552073621
O127	0.535298596	0.006704188	0.552492037
O128	0.298374786	0.970939372	0.556809833
O129	0.187796806	0.159810687	0.581941327
O130	0.677417935	0.350360323	0.58300091
O131	0.424910901	0.650765848	0.582904299
O132	0.169668099	0.651900663	0.583274859
O133	0.92531399	0.153833693	0.581715168
O134	0.673268433	0.846193986	0.583129241
O135	0.671954305	0.157495823	0.583091381
O136	0.426168037	0.357026212	0.584232571
O137	0.679029948	0.652163785	0.58336595
O138	0.921486728	0.653143787	0.583702996
O139	0.92579339	0.346414408	0.583566837
O140	0.169517007	0.353637572	0.585497446
O141	0.923787504	0.847911196	0.584429608
O142	0.426514895	0.832557593	0.584472943
O143	0.170536148	0.840441114	0.586429462
O144	0.424380959	0.170349263	0.593324546
O145	0.297403757	0.502353077	0.613842755
O146	0.549043692	0.506712918	0.614284819
O147	0.799108077	0.002920726	0.614801591
O148	0.04619364	0.506219453	0.614612408
O149	0.799690884	0.501497414	0.614692416
O150	0.043904376	0.003653164	0.616608718
O151	0.550217144	-0.000616363	0.617720965
O152	0.301454261	-0.001171181	0.619709309
O153	0.299641881	0.750562956	0.634040899
O154	0.550525744	0.751678797	0.633217822
O155	0.046914494	0.74896191	0.63544993
O156	0.800985352	0.248798346	0.63393798
O157	0.047392446	0.241683466	0.634173531
O158	0.800882646	0.754501578	0.634702402
O159	0.55290089	0.253998174	0.636319478
O160	0.30012082	0.246251797	0.641220714
O161	0.414933846	0.597731054	0.667576453
O162	0.17102031	0.899247775	0.665728417
O163	0.427918154	0.901107772	0.670823551
O164	0.92170348	0.904121195	0.671277697
O165	0.166749305	0.399417024	0.663820462
O166	0.920629409	0.408300118	0.665223078
O167	0.925208853	0.099035171	0.670354367
O168	0.675116908	0.099457499	0.666301814
O169	0.42544377	0.409368797	0.664329446
O170	0.674004836	0.603954251	0.66515277
O171	0.677012344	0.905566712	0.667064167
O172	0.923248317	0.598309697	0.668882287
O173	0.173429889	0.09101753	0.668830223
O174	0.422125718	0.090338649	0.679281485
O175	0.67075482	0.408595728	0.666840403
O176	0.173167146	0.59602334	0.665690149
O177	0.306397625	0.747011632	0.698502016
O178	0.556025755	0.73700381	0.699890365
O179	0.053992821	0.750782424	0.699407521
O180	0.782093602	0.739068048	0.702947792
O181	0.795045516	0.262463445	0.699925292
O182	0.565530173	0.267610698	0.703318492
O183	0.052607134	0.264957566	0.701695475
O184	0.273458088	0.263505681	0.704624463
O185	0.281125939	-0.019517511	0.719491542
O186	0.057395138	1.005747768	0.718809579
O187	0.570755289	0.000824186	0.717661947
O188	0.793183818	1.011150088	0.718376574
O189	0.776167349	0.510894827	0.716924982
O190	0.056553244	0.486246721	0.714219919
O191	0.553769511	0.524110542	0.714847162
O192	0.283780299	0.47306204	0.71223511
O193	0.205398189	0.689083971	0.761066643
O194	0.692489054	0.870103031	0.764636975
O195	0.418299485	0.13886216	0.760324223
O196	0.168274353	0.149372842	0.768206567
O197	0.93421201	0.659510738	0.758180635
O198	0.671630024	0.338923252	0.762197315
O199	0.672155451	0.675395087	0.760933284
O200	0.436695042	0.89825039	0.766822385
O201	0.673587658	0.144329942	0.767457968
O202	0.921419633	0.140075989	0.762536825
O203	0.933216719	0.857814795	0.756895527
O204	0.164585758	0.877390516	0.771744112
O205	0.918587761	0.343317244	0.762852362
O206	0.421966969	0.330640261	0.766723847
O207	0.166095906	0.343867653	0.760412423
O208	0.427248477	0.707904879	0.777466125
O209	0.587835898	0.79323774	0.819479066
O210	0.819696753	0.756967628	0.809450937
H1	0.741688064	0.769459356	0.818324547
			
beta_O+O_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Nd1	0.359358377	0.624962797	0.374996024
Nd2	0.358951257	0.126611957	0.541746411
Nd3	0.37660237	0.608168633	0.73154735
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	0.922991344	0.248879201	0.50001805
Mn57	0.800839251	0.000329745	0.500096573
Mn58	0.672223615	0.246732474	0.50021224
Mn59	0.678953691	0.751379319	0.50039682
Mn60	0.555027759	0.506984464	0.500455713
Mn61	0.295923712	0.507325395	0.500912399
Mn62	0.051041177	0.000423952	0.500905462
Mn63	0.168049786	0.747760463	0.502182651
Mn64	0.427415419	0.746979954	0.502362913
Mn65	0.424087991	0.503839306	0.582006418
Mn66	0.170620713	0.503076266	0.582296384
Mn67	0.051627014	0.24998569	0.582169512
Mn68	0.296316303	0.743051514	0.583454392
Mn69	0.554251545	0.744294749	0.58268302
Mn70	0.675918667	0.500989894	0.581968356
Mn71	0.6720165	0.004112814	0.582826093
Mn72	0.800641151	0.250466721	0.582288082
Mn73	0.923589119	0.001846225	0.582784932
Mn74	0.924206576	0.500009929	0.582155293
Mn75	0.800205158	0.752103033	0.582833359
Mn76	0.045184802	0.748628716	0.584115751
Mn77	0.551193813	0.258977312	0.586291824
Mn78	0.172135454	0.991610946	0.586764702
Mn79	0.425397522	0.97278399	0.58972768
Mn80	0.29860678	0.271183547	0.593840668
Mn81	0.294040116	0.496935533	0.662535023
Mn82	0.424166056	0.752164049	0.664778758
Mn83	0.174062353	0.748005129	0.666782734
Mn84	0.542550549	0.506546578	0.662811506
Mn85	0.046838025	-0.002733662	0.666985135
Mn86	0.80152298	1.00358549	0.665660162
Mn87	0.922748114	0.254926322	0.66711022
Mn88	0.925005982	0.750358461	0.668266352
Mn89	0.80130038	0.504004148	0.663457442
Mn90	0.674802563	0.761797609	0.663241519
Mn91	0.678299211	0.244503236	0.665005866
Mn92	0.552708398	0.000448847	0.667111175
Mn93	0.296023273	-0.00779573	0.668795353
Mn94	0.045248617	0.504449699	0.664561066
Mn95	0.167645422	0.234735555	0.66666042
Mn96	0.426748685	0.255807149	0.673128211
Mn97	0.425948184	0.011388616	0.732740389
Mn98	0.171267858	0.01129897	0.753903037
Mn99	0.06295576	0.76125553	0.753689009
Mn100	0.298415565	0.243183919	0.76025809
Mn101	0.542234454	0.238977809	0.761084193
Mn102	0.679306459	1.007258585	0.752378037
Mn103	0.669910305	0.630431317	0.714887088
Mn104	0.811195192	0.759633593	0.763405839
Mn105	0.925080033	0.502277106	0.74704571
Mn106	0.924653796	0.999298259	0.743069598
Mn107	0.798736739	0.241493479	0.758130258
Mn108	0.041455285	0.243955123	0.759677459
Mn109	0.557497593	0.793348626	0.77721164
Mn110	0.165630944	0.381205658	0.713822035
Mn111	0.664194833	0.390515489	0.717105184
Mn112	0.305485458	0.802231967	0.770060058
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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