R_O+OH_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.249733814	0.777970497	0.385575555
Mn2	0.696281302	0.792280103	0.414679102
Mn3	0.580131271	0.272234214	0.410993622
Mn4	0.013490574	0.274922081	0.377799312
Mn5	0.34174432	0.50781781	0.358693141
Mn6	0.833010581	0.544366368	0.360187227
Mn7	0.424357174	1.029550824	0.355082715
Mn8	0.919187204	0.988270893	0.352002431
Mn9	0.126325361	0.524530795	0.285865714
Mn10	0.607972852	0.543383599	0.287740774
Mn11	0.136784614	0.992813757	0.280107473
Mn12	0.628955245	0.980595542	0.282986636
Mn13	0.375772128	0.26497377	0.236875138
Mn14	0.874227893	0.26497377	0.236875138
Mn15	0.371301661	0.750572631	0.226463235
Mn16	0.878698359	0.750572631	0.226463235
Mn17	0.125	0.224947883	0.168335527
Mn18	0.62500001	0.225052291	0.168173811
Mn19	0.62500001	0.719009038	0.15994656
Mn20	0.125	0.717993729	0.159624312
Mn21	0.374969408	0.986301409	0.109740702
Mn22	0.875030571	0.986301409	0.109740702
Mn23	0.37514932	0.464117811	0.107215757
Mn24	0.8748507	0.464117811	0.107215757
Mn25	0.125	0.044697769	0.043041951
Mn26	0.62500001	0.044991852	0.043017126
Mn27	0.125	0.521954502	0.040191329
Mn28	0.62500001	0.521733946	0.040171884
O1	0.442883598	0.922342835	0.400984171
O2	0.971126431	0.874360204	0.395268265
O3	0.52797242	0.649769955	0.384947262
O4	0.097396524	0.608401393	0.383224116
O5	0.313453633	0.35926421	0.39422763
O6	0.811449371	0.404424168	0.401191526
O7	0.152317072	0.10572638	0.372369945
O8	0.720333222	0.153544404	0.376358709
O9	0.632512701	0.912081926	0.331203301
O10	0.117892366	0.416503037	0.331698286
O11	0.613308736	0.445734912	0.336294426
O12	0.141349365	0.889432554	0.326568027
O13	0.360090487	0.091860383	0.308249782
O14	0.89902841	0.08165475	0.308281209
O15	0.357329625	0.615834018	0.313001199
O16	0.874546016	0.609648199	0.311020057
O17	0.379947726	0.408874859	0.27048947
O18	0.863371566	0.406255948	0.271229749
O19	0.379122983	0.892703777	0.261411617
O20	0.880579299	0.895910981	0.262445749
O21	0.62674056	0.147534698	0.25485517
O22	0.12732746	0.15243618	0.253394442
O23	0.625462223	0.661521003	0.249250318
O24	0.122791703	0.649203075	0.249652397
O25	0.125	0.348365956	0.210018045
O26	0.62500001	0.349926926	0.20979014
O27	0.62500001	0.840592132	0.200779139
O28	0.125	0.839753226	0.200414272
O29	0.376006913	0.142678061	0.195600389
O30	0.873993107	0.142678061	0.195600389
O31	0.375446872	0.632158573	0.185778655
O32	0.874553108	0.632158573	0.185778655
O33	0.374764752	0.31360678	0.143394237
O34	0.875235187	0.31360678	0.143394237
O35	0.374874335	0.811561554	0.136556155
O36	0.875125686	0.811561554	0.136556155
O37	0.125	0.066546878	0.13584806
O38	0.62500001	0.066606896	0.135828174
O39	0.62500001	0.556501887	0.129802023
O40	0.125	0.556248967	0.12976945
O41	0.62500001	0.911779219	0.081767461
O42	0.125	0.911713338	0.081742397
O43	0.62500001	0.385137285	0.07952637
O44	0.125	0.385250877	0.079525436
O45	0.374936895	0.123025187	0.070839993
O46	0.875063125	0.123025187	0.070839993
O47	0.375150307	0.595757401	0.06833308
O48	0.874849714	0.595757401	0.06833308
O49	0.375026337	0.954511195	0.02007399
O50	0.874973683	0.954511195	0.02007399
O51	0.62500001	0.699606058	0.014614971
O52	0.125	0.69968391	0.014614316
O53	0.374854276	0.443114024	0.013627337
O54	0.875145744	0.443114024	0.013627337
O55	0.125	0.197954242	0.008167299
O56	0.62500001	0.197266895	0.007994206
O57	0.568143154	0.21185426	0.451888231
O58	0.013490574	0.274922081	0.417799312
H1	0.013490574	0.274922081	0.437799312
			
R_O+O_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.228697924	0.771665	0.383009446
Mn2	0.684661591	0.791589774	0.410253172
Mn3	0.611711407	0.253880312	0.414536088
Mn4	0.122690389	0.254808666	0.414956193
Mn5	0.352677033	0.505601193	0.360037813
Mn6	0.873927893	0.498114635	0.357449066
Mn7	0.399043246	1.021037549	0.354253872
Mn8	0.905473419	1.002455205	0.353226736
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	0.416172874	0.913584259	0.399372748
O2	0.961202449	0.876032092	0.394449013
O3	0.516484909	0.649241379	0.383906477
O4	0.090247527	0.59675708	0.38318926
O5	0.366761078	0.376631763	0.398078772
O6	0.862011337	0.372386436	0.398022897
O7	0.140341221	0.120048111	0.37125164
O8	0.655011415	0.120412487	0.371960567
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	0.36866242	0.185884992	0.44222216
O58	-0.132009253	0.166018969	0.443062252
			
alpha_O+OH_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.270923551	0.06248692	0.653230468
Mn2	0.069718272	0.51868072	0.655059531
Mn3	0.280068397	0.559486455	0.656873808
Mn4	0.562835042	0.525581238	0.657038211
Mn5	0.315557454	0.809344769	0.65658603
Mn6	0.815046622	0.316434853	0.655200563
Mn7	0.052290612	0.298498186	0.651464879
Mn8	0.552499747	0.787053865	0.653007708
Mn9	0.064279631	0.800995078	0.653233578
Mn10	0.541802061	0.30725907	0.652547422
Mn11	0.292705446	0.28565072	0.649311934
Mn12	0.540836293	0.072582634	0.649279086
Mn13	0.782422591	0.782776682	0.649029139
Mn14	0.834873997	0.037710685	0.648878566
Mn15	0.039173608	0.073110283	0.651486537
Mn16	0.825850674	0.538226273	0.652732269
Mn17	0.386792727	0.132201722	0.595189361
Mn18	0.649701422	0.144118454	0.601147187
Mn19	0.888729919	0.8622856	0.602174802
Mn20	0.609614657	0.394189821	0.599091116
Mn21	0.147348889	0.646734048	0.598581756
Mn22	0.612312204	0.892748606	0.59942477
Mn23	0.3984429	0.857079555	0.598596704
Mn24	0.384149876	0.632425362	0.594178122
Mn25	0.881934544	0.631538542	0.597148834
Mn26	0.885094111	0.13109937	0.595391588
Mn27	0.157833889	0.368668742	0.590836963
Mn28	0.372513867	0.405294268	0.590502039
Mn29	0.625039829	0.617028615	0.592132039
Mn30	0.158264823	0.871646594	0.590904114
Mn31	0.875111845	0.406783231	0.591618067
Mn32	0.11819798	0.120919322	0.590772012
Mn33	0.945080685	0.727938609	0.548960837
Mn34	0.729108854	0.191960289	0.542858118
Mn35	0.941164668	0.225377858	0.54241666
Mn36	0.223167055	0.194464949	0.542362002
Mn37	0.975326853	0.483792985	0.541903064
Mn38	0.47832746	0.977661702	0.541234952
Mn39	0.717140264	0.963938614	0.538711442
Mn40	0.21751735	0.464780918	0.538149921
Mn41	0.719866546	0.465080456	0.53871191
Mn42	0.21584972	0.966360921	0.5374913
Mn43	0.959160465	0.952651094	0.532684667
Mn44	0.21250303	0.733747203	0.532896508
Mn45	0.459131049	0.448816133	0.534363211
Mn46	0.493969047	0.701044658	0.534656632
Mn47	0.709294594	0.736621887	0.533018528
Mn48	0.495221712	0.20033915	0.534405605
Mn49	0.969090324	0.716667989	0.495213702
Mn50	0.32815541	0.8058829	0.486617685
Mn51	0.5650252	0.524322536	0.486510368
Mn52	0.274838847	0.058376756	0.484918063
Mn53	0.814012865	0.316922806	0.484615662
Mn54	0.283807476	0.553319878	0.48406283
Mn55	0.079997054	0.504488284	0.482018579
Mn56	0.052999982	0.29878107	0.481433326
Mn57	0.55019345	0.300805947	0.480872932
Mn58	0.553041299	0.797408076	0.480557309
Mn59	0.816624618	0.052597131	0.478730204
Mn60	0.033590614	0.088466605	0.477514277
Mn61	0.292892303	0.27918036	0.477467474
Mn62	0.829897278	0.539149259	0.476934537
Mn63	0.538774672	0.076116452	0.475866077
Mn64	0.768985424	0.805045292	0.47386986
Mn65	0.616139724	0.398030555	0.432565256
Mn66	0.392142803	0.860936639	0.428289168
Mn67	0.605021952	0.897647412	0.426441314
Mn68	0.890341849	0.863671267	0.426319086
Mn69	0.643417962	0.151677672	0.426219341
Mn70	0.145614498	0.642982405	0.423183763
Mn71	0.384944353	0.632308952	0.423124625
Mn72	0.886268713	0.130768376	0.423090057
Mn73	0.385676864	0.132913469	0.422849602
Mn74	0.884681943	0.632071182	0.422807628
Mn75	0.624150175	0.622052885	0.420565455
Mn76	0.889187896	0.395807249	0.419967335
Mn77	0.126492544	0.114266868	0.41974162
Mn78	0.164839879	0.368278699	0.418751061
Mn79	0.378788062	0.403724731	0.417283522
Mn80	0.163132095	0.868976721	0.415372763
Mn81	0.635756991	0.383334656	0.379162632
Mn82	0.994822077	0.472549567	0.370566614
Mn83	0.231691867	0.190989203	0.370459297
Mn84	0.941505513	0.725043422	0.368866992
Mn85	0.480679532	0.983589472	0.368564592
Mn86	0.950474143	0.219986545	0.368011759
Mn87	0.74666372	0.171154951	0.365967508
Mn88	0.719666648	0.965447737	0.365382256
Mn89	0.216860116	0.967472613	0.364821862
Mn90	0.219707966	0.464074742	0.364506239
Mn91	0.483291285	0.719263798	0.362679134
Mn92	0.700257281	0.755133271	0.361463207
Mn93	0.95955897	0.945847027	0.361416403
Mn94	0.496563945	0.205815925	0.360883466
Mn95	0.205441339	0.742783119	0.359815006
Mn96	0.43565209	0.471711959	0.35781879
Mn97	0.282806391	0.064697222	0.316514185
Mn98	0.05880947	0.527603305	0.312238098
Mn99	0.271688619	0.564314078	0.310390244
Mn100	0.557008516	0.530337934	0.310268015
Mn101	0.310084629	0.818344339	0.31016827
Mn102	0.812281165	0.309649072	0.307132692
Mn103	0.05161102	0.298975618	0.307073555
Mn104	0.552935379	0.797435043	0.307038986
Mn105	0.052343531	0.799580136	0.306798531
Mn106	0.55134861	0.298737849	0.306756558
Mn107	0.290816842	0.288719552	0.304514384
Mn108	0.555854562	0.062473915	0.303916264
Mn109	0.79315921	0.780933534	0.303690549
Mn110	0.831506546	0.034945365	0.302699991
Mn111	0.045454728	0.070391397	0.301232452
Mn112	0.829798762	0.535643388	0.299321692
O1	0.998984248	0.437026845	0.671260816
O2	0.192600139	0.212516623	0.670263553
O3	0.966957248	0.245977529	0.671439319
O4	0.192263558	0.976997782	0.66370843
O5	0.235696124	0.437056575	0.663496908
O6	0.487733209	0.689242766	0.664592312
O7	0.71237229	0.694329055	0.662765209
O8	0.231225807	0.732581753	0.664702496
O9	0.441958078	0.471598811	0.664440552
O10	0.448021985	0.240305296	0.658825845
O11	0.991763054	0.963938562	0.662253703
O12	0.73098646	0.47995161	0.665198416
O13	0.114156457	0.637048286	0.648173452
O14	0.652331853	0.360886116	0.647412552
O15	0.390500333	0.899194947	0.646546293
O16	0.665955611	0.141074361	0.64371857
O17	0.608944611	0.899896863	0.642485063
O18	0.878228157	0.862811936	0.644563176
O19	0.360377755	0.1236592	0.635838218
O20	0.912763831	0.618131654	0.641972255
O21	0.873315489	0.162314243	0.640774367
O22	0.136088642	0.361011169	0.629999462
O23	0.906055112	0.383163931	0.630669896
O24	0.110489701	0.153708439	0.630102599
O25	0.30255641	0.573141312	0.614862114
O26	0.524237321	0.550676056	0.615241789
O27	0.326847493	0.772279798	0.614929773
O28	0.56232718	0.763815832	0.608824903
O29	0.074976284	0.809464659	0.60925439
O30	0.559475092	0.072947231	0.608419236
O31	0.516722571	0.323685685	0.608792071
O32	0.322767478	0.297514955	0.601357633
O33	0.832918688	0.023020191	0.60547513
O34	0.773127106	0.79652449	0.605300845
O35	0.780581744	0.571629011	0.603982111
O36	0.048213126	0.028003544	0.602376072
O37	0.721756211	0.237164317	0.58882981
O38	0.988477264	0.689184001	0.590900266
O39	0.447697938	0.966710715	0.58800971
O40	0.995446107	0.472806795	0.584383896
O41	0.250960634	0.9430295	0.581067285
O42	0.212167706	0.188039932	0.582819142
O43	0.932741054	0.243549937	0.583908132
O44	0.695947847	0.45512675	0.581737357
O45	0.20901887	0.500758431	0.57895386
O46	0.240433836	0.714159216	0.573174894
O47	0.446439181	0.488593822	0.573187341
O48	0.468710073	0.692263312	0.573511225
O49	0.648461433	0.120157628	0.561258992
O50	0.860986428	0.881866345	0.562393747
O51	0.635358205	0.90037247	0.558548894
O52	0.846009811	0.657926081	0.554396048
O53	0.894199172	0.097128185	0.552341672
O54	0.164627779	0.358482443	0.549307361
O55	0.394344156	0.353414838	0.546567933
O56	0.881561508	0.41554244	0.550163199
O57	0.103397899	0.125708956	0.549086581
O58	0.11650125	0.901985654	0.544671943
O59	0.658169358	0.629716022	0.545362853
O60	0.410565886	0.138720139	0.554072865
O61	0.777554521	0.301879651	0.5312369
O62	0.319057759	0.028382067	0.530589782
O63	0.036719802	0.584876799	0.528627833
O64	0.335133746	0.81019453	0.52807426
O65	0.269020406	0.568775993	0.526738731
O66	0.558932312	0.511440023	0.527360789
O67	0.022026466	0.786993986	0.525979979
O68	0.588698266	0.26966027	0.521499807
O69	0.545023323	0.83224219	0.521115618
O70	0.796037115	0.025535777	0.518002159
O71	0.572004172	0.047427806	0.516079754
O72	0.796199578	0.80667917	0.513459134
O73	0.965432575	0.233920287	0.503406987
O74	0.19615546	0.216999622	0.50280179
O75	0.993583158	0.43917573	0.502483379
O76	0.231461313	0.424381285	0.497360233
O77	0.746860939	0.477967151	0.495810026
O78	0.252553805	0.722631386	0.495432667
O79	0.179949964	0.984104506	0.494173938
O80	0.970939021	0.003760353	0.494109559
O81	0.501449874	0.682111245	0.493897037
O82	0.444451344	0.456092896	0.492764354
O83	0.444012462	0.234906285	0.488695746
O84	0.71596442	0.696384607	0.486354194
O85	0.389323194	0.902185244	0.474196779
O86	0.661439629	0.363567545	0.473748989
O87	0.118993854	0.629284872	0.472865069
O88	0.657429765	0.145138124	0.469032616
O89	0.928899873	0.608613061	0.467927721
O90	0.890459607	0.851979388	0.467848202
O91	0.600726786	0.918591082	0.467804507
O92	0.359217187	0.119644128	0.466325531
O93	0.873551512	0.177236534	0.463059846
O94	0.911153686	0.380054454	0.459660795
O95	0.114275671	0.15720034	0.45964143
O96	0.142107807	0.361094155	0.457792702
O97	0.304009699	0.791381358	0.447290158
O98	0.531469439	0.551951771	0.446531404
O99	0.303438074	0.567986554	0.442792591
O100	0.514813023	0.331772415	0.44049077
O101	0.558726132	0.76632106	0.440393312
O102	0.83153699	0.028199421	0.435124663
O103	0.064073281	0.010481496	0.434615435
O104	0.542789633	0.088417751	0.434274325
O105	0.767949146	0.797618502	0.433710036
O106	0.786599925	0.567882	0.430806401
O107	0.327421098	0.297958009	0.429765303
O108	0.07115579	0.809479651	0.429308031
O109	0.443836208	0.966986848	0.415698369
O110	0.984015404	0.692331898	0.414358774
O111	0.704215499	0.255504136	0.412846404
O112	0.00384391	0.47366184	0.412391826
O113	0.940867738	0.232957095	0.412047713
O114	0.227851259	0.178117592	0.411623105
O115	0.691889073	0.462025503	0.406782804
O116	0.254837001	0.938348568	0.405641407
O117	0.213051705	0.49698023	0.404725695
O118	0.461992909	0.6984547	0.403212905
O119	0.247353634	0.712156591	0.398975945
O120	0.463797948	0.473462492	0.397353469
O121	0.630269711	0.90270386	0.387585935
O122	0.861846322	0.884396404	0.386669743
O123	0.661476449	0.106594572	0.386588697
O124	0.898127979	0.091047951	0.381309162
O125	0.413527605	0.144633818	0.379758956
O126	0.919220472	0.389298053	0.379381596
O127	0.84661663	0.650771173	0.378122867
O128	0.637605687	0.67042702	0.378058488
O129	0.16811654	0.348777912	0.377845967
O130	0.11111801	0.122759563	0.376713283
O131	0.110679129	0.901572952	0.372644675
O132	0.382631086	0.363051274	0.370303123
O133	0.055989861	0.568851911	0.358145708
O134	0.328106295	0.030234212	0.357697918
O135	0.785660521	0.295951539	0.356813998
O136	0.324096432	0.81180479	0.352981546
O137	0.59556654	0.275279728	0.351876651
O138	0.557126274	0.518646055	0.351797131
O139	0.267393453	0.585257749	0.351753436
O140	0.025883853	0.786310795	0.350274461
O141	0.540218178	0.843903201	0.347008775
O142	0.577820352	0.046721121	0.343609724
O143	0.780942338	0.823867007	0.343590359
O144	0.808774473	0.027760822	0.341741631
O145	0.970676365	0.458048025	0.331239088
O146	0.198136105	0.218618438	0.330480333
O147	0.97010474	0.23465322	0.326741521
O148	0.18147969	0.998439082	0.324439699
O149	0.225392799	0.432987727	0.324342242
O150	0.498203656	0.694866088	0.319073592
O151	0.730739947	0.677148163	0.318564364
O152	0.209456299	0.755084418	0.318223255
O153	0.434615812	0.464285169	0.317658966
O154	0.453266591	0.234548667	0.31475533
O155	0.994087765	0.964624676	0.313714232
O156	0.737822457	0.476146318	0.31325696
O157	0.110502874	0.633653515	0.299647298
O158	0.555603948	0.034244573	0.684440882
O159	0.292705446	0.28565072	0.689311934
H1	0.292705446	0.28565072	0.709311934
			
alpha_O+O_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.271024632	0.060729587	0.654599969
Mn2	0.069633885	0.517812264	0.653642522
Mn3	0.280583711	0.557241862	0.656660772
Mn4	0.564095514	0.526403436	0.65641901
Mn5	0.3142022	0.809101802	0.656285517
Mn6	0.815171356	0.317267779	0.654752721
Mn7	0.049190672	0.302850294	0.650390104
Mn8	0.551695577	0.788222842	0.652387073
Mn9	0.063681728	0.8011308	0.652836881
Mn10	0.542733646	0.31056284	0.651620886
Mn11	0.295020793	0.274846596	0.661568434
Mn12	0.534791117	0.078995093	0.649441745
Mn13	0.779669618	0.787618553	0.648545605
Mn14	0.833543383	0.038458843	0.64846743
Mn15	0.038310104	0.074173666	0.651319555
Mn16	0.824505697	0.540716093	0.652019714
Mn17	0.385564171	0.134364852	0.595627924
Mn18	0.647057004	0.146086674	0.600486428
Mn19	0.888293936	0.863336136	0.601874459
Mn20	0.610752979	0.394719542	0.598114257
Mn21	0.147461727	0.646340508	0.59873597
Mn22	0.610117021	0.895776857	0.599037024
Mn23	0.398374657	0.857606493	0.598204352
Mn24	0.384324852	0.632495029	0.593975917
Mn25	0.88120026	0.633006712	0.596990149
Mn26	0.885763742	0.131298371	0.595130531
Mn27	0.160340633	0.368396482	0.591231977
Mn28	0.372926195	0.404447408	0.590192973
Mn29	0.625191515	0.617852128	0.591571425
Mn30	0.158068161	0.871884958	0.590744793
Mn31	0.877530716	0.406629897	0.590917432
Mn32	0.122038283	0.119815388	0.590986168
Mn33	0.946370257	0.727551151	0.548956565
Mn34	0.730193792	0.192178296	0.54265026
Mn35	0.943091284	0.225650843	0.542487571
Mn36	0.230075508	0.192317667	0.542148386
Mn37	0.979462245	0.480539509	0.54206043
Mn38	0.478923763	0.979387754	0.540154672
Mn39	0.718227903	0.963584286	0.538626185
Mn40	0.218408957	0.463929897	0.538132299
Mn41	0.720652769	0.465177266	0.538422795
Mn42	0.215799502	0.966760027	0.537425726
Mn43	0.9596383	0.952649467	0.532596097
Mn44	0.21249664	0.733776516	0.532874871
Mn45	0.458564032	0.449718641	0.534170692
Mn46	0.493800343	0.700708939	0.534461507
Mn47	0.710103592	0.736408617	0.53315997
Mn48	0.496407384	0.200516969	0.533684775
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	0.994395193	0.440461498	0.670458255
O2	0.186059596	0.220145713	0.671102874
O3	0.966502422	0.24713009	0.670734449
O4	0.190795288	0.977243097	0.663918963
O5	0.230245221	0.43865077	0.665127677
O6	0.488242469	0.689074054	0.664119491
O7	0.71118066	0.696934968	0.662041358
O8	0.229020147	0.734137679	0.664360892
O9	0.444223562	0.471278064	0.663903167
O10	0.447249129	0.247062042	0.654998057
O11	0.990885541	0.964620754	0.661850156
O12	0.730993737	0.481396281	0.664824763
O13	0.114695513	0.635629535	0.646932305
O14	0.653744151	0.362049672	0.646555008
O15	0.389202679	0.899466318	0.646846482
O16	0.663427608	0.143048832	0.642270023
O17	0.603656277	0.903547059	0.641052876
O18	0.878873761	0.863485769	0.644175115
O19	0.367426458	0.120534067	0.642752968
O20	0.911810594	0.618607358	0.640092937
O21	0.872629112	0.162900024	0.640495128
O22	0.132906332	0.36398214	0.629725421
O23	0.904547387	0.38391509	0.629894865
O24	0.11404869	0.153605976	0.63012558
O25	0.303563596	0.572389156	0.614725681
O26	0.525558856	0.550752439	0.614664011
O27	0.327115065	0.77248719	0.614773713
O28	0.561556874	0.764427817	0.608331673
O29	0.074205361	0.81030575	0.608889346
O30	0.546196737	0.082143626	0.60774315
O31	0.518685714	0.324177261	0.607763901
O32	0.323274495	0.296752978	0.600139757
O33	0.831443135	0.024262828	0.605015517
O34	0.77061542	0.802002946	0.604979156
O35	0.780858164	0.572930924	0.603301372
O36	0.049108251	0.028503454	0.602426278
O37	0.723032069	0.23765777	0.588109085
O38	0.987912948	0.689590478	0.590874971
O39	0.445485286	0.969565602	0.588113353
O40	0.99810132	0.470214077	0.583941944
O41	0.251032653	0.94279558	0.580802229
O42	0.224417596	0.180867207	0.583376329
O43	0.934938563	0.242931665	0.583856006
O44	0.697340352	0.45574029	0.580934312
O45	0.209133339	0.500531363	0.578896179
O46	0.240331737	0.714400306	0.573132956
O47	0.445871196	0.489515655	0.572915392
O48	0.468445503	0.692799242	0.573234341
O49	0.648239191	0.120828406	0.560969074
O50	0.86190206	0.882077545	0.562104752
O51	0.63507649	0.901570339	0.558382361
O52	0.847062504	0.658333721	0.555228951
O53	0.895518021	0.097204386	0.552104765
O54	0.166896612	0.356364861	0.549322104
O55	0.394825496	0.353834403	0.54615741
O56	0.885016541	0.413529566	0.549824403
O57	0.105591322	0.126910356	0.549505274
O58	0.11640665	0.902375074	0.54461753
O59	0.658850044	0.629276809	0.545097629
O60	0.410051343	0.1398811	0.551086001
O61	0.778521777	0.302299613	0.531133565
O62	0.319470644	0.027606432	0.53019007
O63	0.037599057	0.584345931	0.528779361
O64	0.334976328	0.810356993	0.52799764
O65	0.268691855	0.568857208	0.526673964
O66	0.557563131	0.512529218	0.527239787
O67	0.022714712	0.786693011	0.525862124
O68	0.589708117	0.269763383	0.521267989
O69	0.545431666	0.832109284	0.521022702
O70	0.796818367	0.025532723	0.518000368
O71	0.576047908	0.045890375	0.515607272
O72	0.798236289	0.804939971	0.513464486
O73	0.966098161	0.233420071	0.503377852
O74	0.196378964	0.216925589	0.50276192
O75	0.993895646	0.439321598	0.502484994
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	0.586539889	0.033224527	0.681879694
O159	0.333159543	0.247988393	0.698581966
			
beta_O+OH_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922719816	0.2491267	0.499291028
Mn57	0.801065931	-0.000128891	0.498953566
Mn58	0.673697499	0.24790254	0.499564247
Mn59	0.679123191	0.751598427	0.499986002
Mn60	0.555506676	0.507181595	0.499936117
Mn61	0.296142797	0.50795726	0.500220416
Mn62	0.050406502	0.001089016	0.498636041
Mn63	0.168447019	0.748267314	0.501549609
Mn64	0.427957335	0.747479719	0.50167683
Mn65	0.424325495	0.502558864	0.580812495
Mn66	0.173784157	0.50151442	0.580832067
Mn67	0.049943878	0.251357508	0.580198267
Mn68	0.299121543	0.750750874	0.581709467
Mn69	0.550145089	0.751017472	0.581782942
Mn70	0.674386116	0.501144126	0.580951275
Mn71	0.67329019	0.001385688	0.579769408
Mn72	0.798223224	0.250929893	0.580947377
Mn73	0.924912918	0.001859155	0.580105854
Mn74	0.924163222	0.500487117	0.580905963
Mn75	0.799912216	0.751262267	0.581744708
Mn76	0.048638261	0.75106784	0.582082567
Mn77	0.547795744	0.252111079	0.57994631
Mn78	0.176635424	1.001076879	0.578794395
Mn79	0.422770173	1.000178415	0.578557081
Mn80	0.300229358	0.252843386	0.578706539
Mn81	0.298745157	0.501428371	0.661710083
Mn82	0.424006106	0.751479744	0.66300669
Mn83	0.174258046	0.751498215	0.663083638
Mn84	0.549177418	0.501363082	0.661811633
Mn85	0.049415859	0.001511903	0.660720077
Mn86	0.799066206	1.001456714	0.660980366
Mn87	0.924417056	0.251079345	0.662045061
Mn88	0.924123838	0.751558566	0.663166279
Mn89	0.799124832	0.501196467	0.66187871
Mn90	0.674254726	0.751501467	0.662966916
Mn91	0.673569869	0.251178313	0.66294976
Mn92	0.549183935	0.00134052	0.660539973
Mn93	0.298932119	0.001253122	0.660468396
Mn94	0.049141972	0.501154572	0.661894309
Mn95	0.174458049	0.251174943	0.661488514
Mn96	0.423854503	0.251157529	0.662496049
Mn97	0.42280114	0.000491722	0.739513211
Mn98	0.173402648	0.001651738	0.742189149
Mn99	0.048983656	0.752004813	0.74857639
Mn100	0.297550263	0.251662851	0.746575999
Mn101	0.548197172	0.25166305	0.747973956
Mn102	0.674670071	1.0010728	0.741338124
Mn103	0.674955762	0.502246219	0.742126693
Mn104	0.799136212	0.752026486	0.7484257
Mn105	0.924547099	0.501653858	0.741976325
Mn106	0.924650561	1.001635681	0.741150168
Mn107	0.799285358	0.251696648	0.74706008
Mn108	0.048677168	0.25167384	0.747284091
Mn109	0.54903321	0.751991363	0.748091292
Mn110	0.173213142	0.501592622	0.743153446
Mn111	0.422726836	0.502775187	0.740439867
Mn112	0.298629411	0.751978884	0.748318848
O1	0.187752227	0.160330685	0.247684063
O2	0.678904529	0.348413815	0.248624998
O3	0.426478152	0.649833463	0.248795712
O4	0.169372944	0.651337358	0.24893239
O5	0.925344284	0.153347362	0.248962313
O6	0.674127556	0.845900989	0.249281928
O7	0.672519324	0.156541276	0.249432703
O8	0.426749655	0.355716419	0.249618727
O9	0.67931521	0.650452861	0.249682947
O10	0.92152108	0.652186794	0.249947851
O11	0.925868669	0.345646324	0.250171636
O12	0.168188364	0.352809381	0.250371647
O13	0.923111993	0.84698464	0.251128521
O14	0.427402621	0.831941045	0.252520121
O15	0.16993541	0.840572616	0.252620352
O16	0.423945138	0.172016626	0.259725796
O17	0.296101284	0.494562213	0.277730807
O18	0.554594691	0.49484682	0.280563081
O19	0.797586869	0.001995766	0.281769461
O20	0.049224574	0.504658515	0.282103937
O21	0.800662962	0.498993843	0.282395069
O22	0.045193389	0.006213558	0.28267014
O23	0.554568792	0.0017832	0.28372933
O24	0.297827399	0.004222039	0.284591146
O25	0.297823108	0.745764488	0.298741609
O26	0.554564913	0.748221643	0.299605896
O27	0.045199765	0.743786802	0.300663689
O28	0.800662938	0.25099993	0.300938718
O29	0.049224338	0.245346823	0.301230128
O30	0.797587629	0.748019547	0.301563629
O31	0.554592168	0.255158677	0.302770506
O32	0.296106045	0.25548807	0.305603218
O33	0.423944793	0.577989685	0.323618173
O34	0.169941103	0.909416653	0.330709116
O35	0.427400268	0.918044935	0.330811101
O36	0.923113109	0.903018138	0.332198869
O37	0.168172626	0.397187473	0.332967995
O38	0.925867825	0.4043549	0.333167314
O39	0.92152616	0.097810088	0.33338705
O40	0.679308366	0.099543157	0.333652884
O41	0.426757396	0.394287396	0.333719516
O42	0.67252845	0.593463829	0.333898165
O43	0.674126135	0.90409814	0.334048568
O44	0.925341528	0.596656848	0.334368797
O45	0.169383158	0.098660357	0.334392367
O46	0.426473649	0.100157675	0.334532635
O47	0.678915636	0.401579118	0.334712553
O48	0.187746777	0.589679664	0.335653156
O49	0.299549176	0.781265677	0.360420944
O50	0.535899207	0.743901972	0.364204344
O51	0.051167524	0.750838463	0.364747525
O52	0.798643435	0.749385075	0.365702346
O53	0.802117605	0.251590955	0.365992946
O54	0.554200125	0.248511809	0.366192355
O55	0.044564344	0.250827628	0.366522097
O56	0.297706387	0.247288106	0.366602995
O57	0.297705731	0.002696958	0.383395315
O58	0.044564628	0.999156914	0.383476705
O59	0.554196684	0.001472551	0.383806957
O60	0.802118951	0.998397835	0.384006624
O61	0.798641161	0.500634424	0.384298123
O62	0.051166075	0.49918067	0.385253044
O63	0.535904484	0.506098336	0.385797076
O64	0.299553667	0.468735142	0.389579837
O65	0.187752227	0.660330685	0.41435073
O66	0.678904529	0.848413815	0.415291665
O67	0.426478152	0.149833463	0.415462379
O68	0.169372944	0.151337358	0.415599056
O69	0.925344284	0.653347362	0.41562898
O70	0.674127556	0.345900989	0.415948595
O71	0.672519324	0.656541276	0.41609937
O72	0.426749655	0.855716419	0.416285394
O73	0.67931521	0.150452861	0.416349614
O74	0.92152108	0.152186794	0.416614518
O75	0.925868669	0.845646324	0.416838303
O76	0.168188364	0.852809381	0.417038314
O77	0.923111993	0.34698464	0.417795188
O78	0.427402621	0.331941045	0.419186788
O79	0.16993541	0.340572616	0.419287018
O80	0.423945138	0.672016626	0.426392463
O81	0.296101284	0.994562213	0.444397474
O82	0.554594691	0.99484682	0.447229748
O83	0.797586869	0.501995766	0.448436127
O84	0.049224574	0.004658515	0.448770603
O85	0.800662962	0.998993843	0.449061735
O86	0.045193389	0.506213558	0.449336807
O87	0.554568792	0.5017832	0.450395997
O88	0.297827399	0.504222039	0.451257812
O89	0.297823108	0.245764488	0.465408276
O90	0.554564913	0.248221643	0.466272563
O91	0.045199765	0.243786802	0.467330355
O92	0.800662938	0.75099993	0.467605385
O93	0.049224338	0.745346823	0.467896795
O94	0.797587629	0.248019547	0.468230295
O95	0.554592168	0.755158677	0.469437173
O96	0.296106045	0.75548807	0.472269885
O97	0.423944793	0.077989685	0.49028484
O98	0.169941103	0.409416653	0.497375783
O99	0.427400268	0.418044935	0.497477768
O100	0.923113109	0.403018138	0.498865535
O101	0.168172626	0.897187473	0.499634662
O102	0.925867825	0.9043549	0.499833981
O103	0.921825067	0.597640089	0.500197329
O104	0.678847704	0.599609561	0.499990432
O105	0.427678539	0.894237296	0.498190465
O106	0.673285772	0.094067048	0.498900703
O107	0.674825284	0.40481265	0.499871602
O108	0.924693617	0.097193033	0.499537026
O109	0.169845955	0.598839212	0.500524668
O110	0.426119632	0.600523744	0.500492713
O111	0.68006805	0.900859733	0.499392485
O112	0.179188027	0.088403769	0.497114013
O113	0.302596922	0.258971751	0.527587165
O114	0.543710201	0.253454861	0.528840038
O115	0.050196319	0.251691122	0.530067241
O116	0.798319313	0.250542948	0.531043469
O117	0.801549871	0.75141274	0.531848398
O118	0.553504105	0.750133156	0.531937332
O119	0.045414937	0.749887941	0.532250943
O120	0.298755489	0.748704623	0.53241224
O121	0.298725686	0.500797935	0.549481602
O122	0.048215997	0.500122567	0.549237815
O123	0.550178311	0.502413149	0.549396007
O124	0.799426266	0.500523946	0.549397944
O125	0.799595757	-2.13206E-05	0.548636415
O126	0.049768632	1.000810289	0.548276224
O127	0.548513738	-0.000859365	0.547488548
O128	0.300358831	0.997268428	0.546358822
O129	0.176220147	0.155251485	0.578418452
O130	0.673556473	0.348189666	0.58065274
O131	0.424716426	0.654268472	0.581381727
O132	0.173678628	0.654036215	0.581430265
O133	0.924301968	0.154717488	0.579966472
O134	0.674444672	0.848278923	0.581629736
O135	0.672524571	0.154800501	0.579167631
O136	0.424510996	0.349649525	0.580466499
O137	0.675084938	0.654072874	0.581609229
O138	0.924105474	0.653849164	0.581868069
O139	0.923833194	0.347600704	0.580840669
O140	0.174368792	0.348667438	0.580394906
O141	0.924537705	0.848530795	0.582112532
O142	0.424322807	0.847544274	0.581224825
O143	0.174480341	0.847781974	0.581302193
O144	0.423435373	0.154844189	0.578510487
O145	0.299337176	0.501187234	0.612342714
O146	0.548983876	0.500691783	0.612433897
O147	0.798772927	0.004727785	0.611505774
O148	0.049008021	0.500533199	0.612378627
O149	0.799225661	0.499921134	0.612484045
O150	0.050762555	0.004266396	0.611223428
O151	0.54796796	0.004252138	0.611069643
O152	0.300010151	0.004143819	0.61066536
O153	0.299178341	0.749965155	0.631327936
O154	0.549120668	0.749969019	0.631221034
O155	0.049148572	0.74997947	0.63138273
O156	0.797148824	0.250413411	0.630676693
O157	0.049253608	0.250227745	0.62985251
O158	0.799377095	0.750046817	0.631272389
O159	0.548764258	0.250274994	0.630655242
O160	0.301143016	0.250313175	0.629817615
O161	0.424007998	0.597689022	0.663491996
O162	0.174051461	0.904848928	0.661347867
O163	0.424061178	0.904930934	0.661827008
O164	0.924223487	0.905176187	0.661919249
O165	0.174185893	0.404742995	0.662468982
O166	0.924109208	0.404708406	0.66302683
O167	0.924200374	0.097668048	0.662735189
O168	0.673846232	0.097831407	0.663000584
O169	0.424024547	0.404882658	0.663597406
O170	0.674326419	0.597725897	0.66308423
O171	0.67425331	0.904978929	0.661512135
O172	0.924121896	0.597604277	0.663487234
O173	0.174400982	0.097801843	0.662184361
O174	0.424077163	0.097693175	0.663281159
O175	0.673883877	0.404641406	0.663286471
O176	0.173819827	0.597781341	0.662973618
O177	0.298930677	0.752608756	0.695014807
O178	0.549375389	0.752581619	0.694894039
O179	0.049309671	0.752710433	0.695113831
O180	0.798988195	0.752739213	0.695018707
O181	0.800031405	0.251358548	0.694216522
O182	0.549111504	0.251520288	0.69648369
O183	0.049687315	0.251449358	0.693724758
O184	0.297675121	0.251538665	0.693720609
O185	0.296047498	-0.002803779	0.711551316
O186	0.050031516	0.999871233	0.712001755
O187	0.550439121	-0.002663624	0.711761294
O188	0.799168573	0.998137058	0.712027081
O189	0.79929055	0.503491536	0.712793666
O190	0.049941257	0.501600623	0.712853397
O191	0.550431794	0.504204927	0.712706214
O192	0.295902459	0.504294723	0.712564761
O193	0.173675982	0.650708325	0.756339147
O194	0.674058219	0.854003301	0.755715299
O195	0.419189071	0.146064478	0.752026682
O196	0.173438443	0.150151835	0.754782405
O197	0.924163746	0.650295794	0.755771291
O198	0.677453153	0.356185436	0.753703347
O199	0.674159868	0.650362282	0.755912892
O200	0.423791548	0.854252883	0.754888652
O201	0.677339966	0.147153177	0.753254731
O202	0.92403872	0.149787907	0.754385011
O203	0.924176538	0.854069856	0.755558676
O204	0.173773715	0.853685327	0.756085532
O205	0.924011958	0.353522593	0.754875087
O206	0.419082779	0.35721979	0.752538357
O207	0.173373649	0.353019015	0.75531546
O208	0.423785269	0.650080775	0.755151268
O209	0.540901342	0.252149936	0.794821075
O210	0.297550263	0.251662851	0.796575999
H1	0.297550263	0.251662851	0.826575999
			
beta_O+O_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922788537	0.249169476	0.49929572
Mn57	0.801092743	-5.06334E-05	0.498933223
Mn58	0.673659299	0.247958594	0.49955324
Mn59	0.67911997	0.751631845	0.499966768
Mn60	0.555454783	0.507253445	0.499906216
Mn61	0.296138077	0.508014986	0.500192877
Mn62	0.0504123	0.00113061	0.498619616
Mn63	0.168440812	0.748287166	0.501527734
Mn64	0.427943159	0.747514184	0.501654487
Mn65	0.424210776	0.503118199	0.580779272
Mn66	0.173765681	0.502099989	0.580783898
Mn67	0.050352478	0.251914189	0.580347268
Mn68	0.29904294	0.751317306	0.581650738
Mn69	0.550127378	0.751578033	0.581716817
Mn70	0.674267728	0.501587297	0.580867602
Mn71	0.673175457	0.002008803	0.579687921
Mn72	0.798192402	0.251486575	0.580814827
Mn73	0.924918985	0.002499133	0.580071718
Mn74	0.924133535	0.50091858	0.580871377
Mn75	0.799834893	0.751818865	0.581681479
Mn76	0.048557131	0.751634574	0.582019294
Mn77	0.547328063	0.252663152	0.579999068
Mn78	0.176620951	1.001582224	0.57877105
Mn79	0.422636941	1.000719839	0.578555101
Mn80	0.300060855	0.253417222	0.579017934
Mn81	0.298645883	0.502878703	0.66158197
Mn82	0.423963927	0.75269078	0.662847128
Mn83	0.174072093	0.752721293	0.662999919
Mn84	0.549142798	0.502729321	0.661647535
Mn85	0.049117443	0.002559152	0.660619521
Mn86	0.799229617	1.002533586	0.660837466
Mn87	0.924258337	0.252247306	0.661650588
Mn88	0.924008076	0.752748646	0.663024597
Mn89	0.799220262	0.502433986	0.661741403
Mn90	0.674236955	0.752711668	0.662905882
Mn91	0.673355512	0.252315312	0.662640042
Mn92	0.54901805	0.002390312	0.660417178
Mn93	0.298918972	0.002279361	0.660415833
Mn94	0.048768935	0.502520232	0.661750579
Mn95	0.174955665	0.252373912	0.66259002
Mn96	0.423282435	0.252449171	0.663454412
Mn97	0.423269153	0.002104844	0.739744139
Mn98	0.172942055	0.003508778	0.740642331
Mn99	0.048761185	0.753830139	0.748529298
Mn100	0.29785474	0.254177808	0.749380031
Mn101	0.54962043	0.253673375	0.74756426
Mn102	0.674976659	1.002629274	0.740298585
Mn103	0.675398486	0.5045144	0.741408308
Mn104	0.799161941	0.753848003	0.748484905
Mn105	0.923956959	0.503614522	0.742903705
Mn106	0.92431836	1.003193845	0.742118977
Mn107	0.799693242	0.253379258	0.746523147
Mn108	0.048137244	0.253446741	0.74635065
Mn109	0.54903994	0.753991308	0.748043335
Mn110	0.172432729	0.50399428	0.741500067
Mn111	0.423360314	0.50562869	0.740193515
Mn112	0.298509607	0.753988128	0.748159528
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	0.921815974	0.597634899	0.500152725
O104	0.678847307	0.599626958	0.499954805
O105	0.427669664	0.894255889	0.4982281
O106	0.673269378	0.094109999	0.498851612
O107	0.674777087	0.404848828	0.499915706
O108	0.924734687	0.097244055	0.499473792
O109	0.16982125	0.598864249	0.500467073
O110	0.42609408	0.600572128	0.500413525
O111	0.680089906	0.900909569	0.49947346
O112	0.179204179	0.088430657	0.497072982
O113	0.302494398	0.258859264	0.527759266
O114	0.543608621	0.253453406	0.528860609
O115	0.050245918	0.251662245	0.530132361
O116	0.798347773	0.250492585	0.531007585
O117	0.801542136	0.751310992	0.531818328
O118	0.55346984	0.750047299	0.531902548
O119	0.04540447	0.749797135	0.532220513
O120	0.298741438	0.748633326	0.532378915
O121	0.29869038	0.501432387	0.549452793
O122	0.048195626	0.500594439	0.549214972
O123	0.549987806	0.502929851	0.549353831
O124	0.799426545	0.500831833	0.549367157
O125	0.799622141	0.000927386	0.548601351
O126	0.049775834	1.001558367	0.548252904
O127	0.548310676	-7.16825E-05	0.547457719
O128	0.300314252	0.997870163	0.546349989
O129	0.176331003	0.155791117	0.578661526
O130	0.673267327	0.348609457	0.580606336
O131	0.424641503	0.654787445	0.581476074
O132	0.17361171	0.654538783	0.581490292
O133	0.924548021	0.15539764	0.580252329
O134	0.674376687	0.848874838	0.581410236
O135	0.672218815	0.1554748	0.579350672
O136	0.424226486	0.350192923	0.580469462
O137	0.675024284	0.65456373	0.58164458
O138	0.924046833	0.654343418	0.581941273
O139	0.924040908	0.348016086	0.580885254
O140	0.174462099	0.349263767	0.580379409
O141	0.924483153	0.849124051	0.581902209
O142	0.424250838	0.848109485	0.581055483
O143	0.17442038	0.848363853	0.581115567
O144	0.423118243	0.155428574	0.578793557
O145	0.299129364	0.501010105	0.61230765
O146	0.548955674	0.500683619	0.612332749
O147	0.798522679	0.005369972	0.611392423
O148	0.049177646	0.500401256	0.61231051
O149	0.798992688	0.499976866	0.612363671
O150	0.050971519	0.00505538	0.611176947
O151	0.547993332	0.004987587	0.610993353
O152	0.299778762	0.004982467	0.610674193
O153	0.298932071	0.751354519	0.63122256
O154	0.549252868	0.751375943	0.631119548
O155	0.049151669	0.751450305	0.631271269
O156	0.797050197	0.251645742	0.630394604
O157	0.051165251	0.2516106	0.630173998
O158	0.79913818	0.751542805	0.631169252
O159	0.547071684	0.25160608	0.630863877
O160	0.300618278	0.251829857	0.630691001
O161	0.424036104	0.599087123	0.662795381
O162	0.173827938	0.906005779	0.661412751
O163	0.424021829	0.905950556	0.66137504
O164	0.92414702	0.906177614	0.66135531
O165	0.17409329	0.406171631	0.663430003
O166	0.924066325	0.405906234	0.66291243
O167	0.924170331	0.098847099	0.662315455
O168	0.67383982	0.098802512	0.66307413
O169	0.423721943	0.406361863	0.664012372
O170	0.67444272	0.598981553	0.662738377
O171	0.674277672	0.906170103	0.661584972
O172	0.923924936	0.598985864	0.662619873
O173	0.174360009	0.098837326	0.662867509
O174	0.423777593	0.098763162	0.663361293
O175	0.67387142	0.406021397	0.663511708
O176	0.173473782	0.599108372	0.662589221
O177	0.299022627	0.753752107	0.694862743
O178	0.549172016	0.753746166	0.694778311
O179	0.048872097	0.753804858	0.694997712
O180	0.799178169	0.75384314	0.694945654
O181	0.800290128	0.252530276	0.693792561
O182	0.550401161	0.252651738	0.696066327
O183	0.047672281	0.252479901	0.693674709
O184	0.2974326	0.252596191	0.69602542
O185	0.29734478	-0.004060824	0.711314954
O186	0.047519616	0.999255878	0.711787291
O187	0.549593869	-0.003132793	0.711433044
O188	0.801127234	0.998682418	0.711815711
O189	0.800833244	0.506516606	0.712593288
O190	0.04718097	0.506704447	0.712577539
O191	0.550496939	0.508909906	0.712314396
O192	0.296684206	0.510318524	0.712212837
O193	0.173341958	0.652198314	0.755781453
O194	0.674206564	0.855972313	0.755279073
O195	0.422686871	0.149299206	0.749739689
O196	0.171643992	0.151122421	0.752010124
O197	0.923889466	0.652620165	0.756326172
O198	0.677015003	0.35740419	0.752502031
O199	0.674321308	0.652341832	0.755697425
O200	0.423785721	0.855928392	0.75519789
O201	0.676804239	0.1496009	0.751833723
O202	0.923969942	0.151683777	0.754597131
O203	0.924031594	0.855386713	0.756062366
O204	0.17347451	0.856035009	0.755430708
O205	0.923818324	0.355016468	0.754985784
O206	0.422856356	0.358300785	0.749269
O207	0.170960732	0.35642633	0.752022812
O208	0.423872747	0.652387045	0.755328324
O209	0.539468388	0.254745473	0.794032098
O210	0.302697909	0.257090629	0.797632735
			
R_O+OH_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.228697924	0.771665	0.383009446
Mn2	0.684661591	0.791589774	0.410253172
Mn3	0.611711407	0.253880312	0.414536088
Mn4	0.122690389	0.254808666	0.414956193
Mn5	0.352677033	0.505601193	0.360037813
Mn6	0.873927893	0.498114635	0.357449066
Mn7	0.399043246	1.021037549	0.354253872
Mn8	0.905473419	1.002455205	0.353226736
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	0.416172874	0.913584259	0.399372748
O2	0.961202449	0.876032092	0.394449013
O3	0.516484909	0.649241379	0.383906477
O4	0.090247527	0.59675708	0.38318926
O5	0.366761078	0.376631763	0.398078772
O6	0.862011337	0.372386436	0.398022897
O7	0.140341221	0.120048111	0.37125164
O8	0.655011415	0.120412487	0.371960567
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	0.36866242	0.185884992	0.44222216
O58	-0.132009253	0.166018969	0.443062252
H1	-0.128260248	0.172694032	0.469164451
			
R_O+O_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Mn1	0.226479465	0.76845642	0.384111696
Mn2	0.680435046	0.791808148	0.412259848
Mn3	0.622627447	0.240577798	0.411950962
Mn4	0.119737011	0.24909063	0.413950375
Mn5	0.354377921	0.503581472	0.360790521
Mn6	0.875386988	0.497097217	0.357024226
Mn7	0.393331788	1.017715286	0.353857619
Mn8	0.904770236	0.999413963	0.352998932
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	0.413368924	0.913240894	0.398952453
O2	0.95590896	0.872696446	0.393867868
O3	0.513651847	0.64858099	0.385019677
O4	0.09065468	0.593001734	0.383786091
O5	0.372607818	0.368694064	0.397083275
O6	0.86201738	0.371628357	0.396918645
O7	0.137252068	0.118797557	0.370522055
O8	0.64975924	0.124082726	0.370703833
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	0.380230637	0.172903147	0.438572617
O58	-0.136021736	0.168964563	0.438308291
			
alpha_O+OH_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.271024632	0.060729587	0.654599969
Mn2	0.069633885	0.517812264	0.653642522
Mn3	0.280583711	0.557241862	0.656660772
Mn4	0.564095514	0.526403436	0.65641901
Mn5	0.3142022	0.809101802	0.656285517
Mn6	0.815171356	0.317267779	0.654752721
Mn7	0.049190672	0.302850294	0.650390104
Mn8	0.551695577	0.788222842	0.652387073
Mn9	0.063681728	0.8011308	0.652836881
Mn10	0.542733646	0.31056284	0.651620886
Mn11	0.295020793	0.274846596	0.661568434
Mn12	0.534791117	0.078995093	0.649441745
Mn13	0.779669618	0.787618553	0.648545605
Mn14	0.833543383	0.038458843	0.64846743
Mn15	0.038310104	0.074173666	0.651319555
Mn16	0.824505697	0.540716093	0.652019714
Mn17	0.385564171	0.134364852	0.595627924
Mn18	0.647057004	0.146086674	0.600486428
Mn19	0.888293936	0.863336136	0.601874459
Mn20	0.610752979	0.394719542	0.598114257
Mn21	0.147461727	0.646340508	0.59873597
Mn22	0.610117021	0.895776857	0.599037024
Mn23	0.398374657	0.857606493	0.598204352
Mn24	0.384324852	0.632495029	0.593975917
Mn25	0.88120026	0.633006712	0.596990149
Mn26	0.885763742	0.131298371	0.595130531
Mn27	0.160340633	0.368396482	0.591231977
Mn28	0.372926195	0.404447408	0.590192973
Mn29	0.625191515	0.617852128	0.591571425
Mn30	0.158068161	0.871884958	0.590744793
Mn31	0.877530716	0.406629897	0.590917432
Mn32	0.122038283	0.119815388	0.590986168
Mn33	0.946370257	0.727551151	0.548956565
Mn34	0.730193792	0.192178296	0.54265026
Mn35	0.943091284	0.225650843	0.542487571
Mn36	0.230075508	0.192317667	0.542148386
Mn37	0.979462245	0.480539509	0.54206043
Mn38	0.478923763	0.979387754	0.540154672
Mn39	0.718227903	0.963584286	0.538626185
Mn40	0.218408957	0.463929897	0.538132299
Mn41	0.720652769	0.465177266	0.538422795
Mn42	0.215799502	0.966760027	0.537425726
Mn43	0.9596383	0.952649467	0.532596097
Mn44	0.21249664	0.733776516	0.532874871
Mn45	0.458564032	0.449718641	0.534170692
Mn46	0.493800343	0.700708939	0.534461507
Mn47	0.710103592	0.736408617	0.53315997
Mn48	0.496407384	0.200516969	0.533684775
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	0.994395193	0.440461498	0.670458255
O2	0.186059596	0.220145713	0.671102874
O3	0.966502422	0.24713009	0.670734449
O4	0.190795288	0.977243097	0.663918963
O5	0.230245221	0.43865077	0.665127677
O6	0.488242469	0.689074054	0.664119491
O7	0.71118066	0.696934968	0.662041358
O8	0.229020147	0.734137679	0.664360892
O9	0.444223562	0.471278064	0.663903167
O10	0.447249129	0.247062042	0.654998057
O11	0.990885541	0.964620754	0.661850156
O12	0.730993737	0.481396281	0.664824763
O13	0.114695513	0.635629535	0.646932305
O14	0.653744151	0.362049672	0.646555008
O15	0.389202679	0.899466318	0.646846482
O16	0.663427608	0.143048832	0.642270023
O17	0.603656277	0.903547059	0.641052876
O18	0.878873761	0.863485769	0.644175115
O19	0.367426458	0.120534067	0.642752968
O20	0.911810594	0.618607358	0.640092937
O21	0.872629112	0.162900024	0.640495128
O22	0.132906332	0.36398214	0.629725421
O23	0.904547387	0.38391509	0.629894865
O24	0.11404869	0.153605976	0.63012558
O25	0.303563596	0.572389156	0.614725681
O26	0.525558856	0.550752439	0.614664011
O27	0.327115065	0.77248719	0.614773713
O28	0.561556874	0.764427817	0.608331673
O29	0.074205361	0.81030575	0.608889346
O30	0.546196737	0.082143626	0.60774315
O31	0.518685714	0.324177261	0.607763901
O32	0.323274495	0.296752978	0.600139757
O33	0.831443135	0.024262828	0.605015517
O34	0.77061542	0.802002946	0.604979156
O35	0.780858164	0.572930924	0.603301372
O36	0.049108251	0.028503454	0.602426278
O37	0.723032069	0.23765777	0.588109085
O38	0.987912948	0.689590478	0.590874971
O39	0.445485286	0.969565602	0.588113353
O40	0.99810132	0.470214077	0.583941944
O41	0.251032653	0.94279558	0.580802229
O42	0.224417596	0.180867207	0.583376329
O43	0.934938563	0.242931665	0.583856006
O44	0.697340352	0.45574029	0.580934312
O45	0.209133339	0.500531363	0.578896179
O46	0.240331737	0.714400306	0.573132956
O47	0.445871196	0.489515655	0.572915392
O48	0.468445503	0.692799242	0.573234341
O49	0.648239191	0.120828406	0.560969074
O50	0.86190206	0.882077545	0.562104752
O51	0.63507649	0.901570339	0.558382361
O52	0.847062504	0.658333721	0.555228951
O53	0.895518021	0.097204386	0.552104765
O54	0.166896612	0.356364861	0.549322104
O55	0.394825496	0.353834403	0.54615741
O56	0.885016541	0.413529566	0.549824403
O57	0.105591322	0.126910356	0.549505274
O58	0.11640665	0.902375074	0.54461753
O59	0.658850044	0.629276809	0.545097629
O60	0.410051343	0.1398811	0.551086001
O61	0.778521777	0.302299613	0.531133565
O62	0.319470644	0.027606432	0.53019007
O63	0.037599057	0.584345931	0.528779361
O64	0.334976328	0.810356993	0.52799764
O65	0.268691855	0.568857208	0.526673964
O66	0.557563131	0.512529218	0.527239787
O67	0.022714712	0.786693011	0.525862124
O68	0.589708117	0.269763383	0.521267989
O69	0.545431666	0.832109284	0.521022702
O70	0.796818367	0.025532723	0.518000368
O71	0.576047908	0.045890375	0.515607272
O72	0.798236289	0.804939971	0.513464486
O73	0.966098161	0.233420071	0.503377852
O74	0.196378964	0.216925589	0.50276192
O75	0.993895646	0.439321598	0.502484994
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	0.586539889	0.033224527	0.681879694
O159	0.333159543	0.247988393	0.698581966
H1	0.268205539	0.247585681	0.706961435
			
alpha_O+O_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Mn1	0.271024632	0.060729587	0.654599969
Mn2	0.069633885	0.517812264	0.653642522
Mn3	0.280583711	0.557241862	0.656660772
Mn4	0.564095514	0.526403436	0.65641901
Mn5	0.3142022	0.809101802	0.656285517
Mn6	0.815171356	0.317267779	0.654752721
Mn7	0.049190672	0.302850294	0.650390104
Mn8	0.551695577	0.788222842	0.652387073
Mn9	0.063681728	0.8011308	0.652836881
Mn10	0.542733646	0.31056284	0.651620886
Mn11	0.295020793	0.274846596	0.661568434
Mn12	0.534791117	0.078995093	0.649441745
Mn13	0.779669618	0.787618553	0.648545605
Mn14	0.833543383	0.038458843	0.64846743
Mn15	0.038310104	0.074173666	0.651319555
Mn16	0.824505697	0.540716093	0.652019714
Mn17	0.385564171	0.134364852	0.595627924
Mn18	0.647057004	0.146086674	0.600486428
Mn19	0.888293936	0.863336136	0.601874459
Mn20	0.610752979	0.394719542	0.598114257
Mn21	0.147461727	0.646340508	0.59873597
Mn22	0.610117021	0.895776857	0.599037024
Mn23	0.398374657	0.857606493	0.598204352
Mn24	0.384324852	0.632495029	0.593975917
Mn25	0.88120026	0.633006712	0.596990149
Mn26	0.885763742	0.131298371	0.595130531
Mn27	0.160340633	0.368396482	0.591231977
Mn28	0.372926195	0.404447408	0.590192973
Mn29	0.625191515	0.617852128	0.591571425
Mn30	0.158068161	0.871884958	0.590744793
Mn31	0.877530716	0.406629897	0.590917432
Mn32	0.122038283	0.119815388	0.590986168
Mn33	0.946370257	0.727551151	0.548956565
Mn34	0.730193792	0.192178296	0.54265026
Mn35	0.943091284	0.225650843	0.542487571
Mn36	0.230075508	0.192317667	0.542148386
Mn37	0.979462245	0.480539509	0.54206043
Mn38	0.478923763	0.979387754	0.540154672
Mn39	0.718227903	0.963584286	0.538626185
Mn40	0.218408957	0.463929897	0.538132299
Mn41	0.720652769	0.465177266	0.538422795
Mn42	0.215799502	0.966760027	0.537425726
Mn43	0.9596383	0.952649467	0.532596097
Mn44	0.21249664	0.733776516	0.532874871
Mn45	0.458564032	0.449718641	0.534170692
Mn46	0.493800343	0.700708939	0.534461507
Mn47	0.710103592	0.736408617	0.53315997
Mn48	0.496407384	0.200516969	0.533684775
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	0.994395193	0.440461498	0.670458255
O2	0.186059596	0.220145713	0.671102874
O3	0.966502422	0.24713009	0.670734449
O4	0.190795288	0.977243097	0.663918963
O5	0.230245221	0.43865077	0.665127677
O6	0.488242469	0.689074054	0.664119491
O7	0.71118066	0.696934968	0.662041358
O8	0.229020147	0.734137679	0.664360892
O9	0.444223562	0.471278064	0.663903167
O10	0.447249129	0.247062042	0.654998057
O11	0.990885541	0.964620754	0.661850156
O12	0.730993737	0.481396281	0.664824763
O13	0.114695513	0.635629535	0.646932305
O14	0.653744151	0.362049672	0.646555008
O15	0.389202679	0.899466318	0.646846482
O16	0.663427608	0.143048832	0.642270023
O17	0.603656277	0.903547059	0.641052876
O18	0.878873761	0.863485769	0.644175115
O19	0.367426458	0.120534067	0.642752968
O20	0.911810594	0.618607358	0.640092937
O21	0.872629112	0.162900024	0.640495128
O22	0.132906332	0.36398214	0.629725421
O23	0.904547387	0.38391509	0.629894865
O24	0.11404869	0.153605976	0.63012558
O25	0.303563596	0.572389156	0.614725681
O26	0.525558856	0.550752439	0.614664011
O27	0.327115065	0.77248719	0.614773713
O28	0.561556874	0.764427817	0.608331673
O29	0.074205361	0.81030575	0.608889346
O30	0.546196737	0.082143626	0.60774315
O31	0.518685714	0.324177261	0.607763901
O32	0.323274495	0.296752978	0.600139757
O33	0.831443135	0.024262828	0.605015517
O34	0.77061542	0.802002946	0.604979156
O35	0.780858164	0.572930924	0.603301372
O36	0.049108251	0.028503454	0.602426278
O37	0.723032069	0.23765777	0.588109085
O38	0.987912948	0.689590478	0.590874971
O39	0.445485286	0.969565602	0.588113353
O40	0.99810132	0.470214077	0.583941944
O41	0.251032653	0.94279558	0.580802229
O42	0.224417596	0.180867207	0.583376329
O43	0.934938563	0.242931665	0.583856006
O44	0.697340352	0.45574029	0.580934312
O45	0.209133339	0.500531363	0.578896179
O46	0.240331737	0.714400306	0.573132956
O47	0.445871196	0.489515655	0.572915392
O48	0.468445503	0.692799242	0.573234341
O49	0.648239191	0.120828406	0.560969074
O50	0.86190206	0.882077545	0.562104752
O51	0.63507649	0.901570339	0.558382361
O52	0.847062504	0.658333721	0.555228951
O53	0.895518021	0.097204386	0.552104765
O54	0.166896612	0.356364861	0.549322104
O55	0.394825496	0.353834403	0.54615741
O56	0.885016541	0.413529566	0.549824403
O57	0.105591322	0.126910356	0.549505274
O58	0.11640665	0.902375074	0.54461753
O59	0.658850044	0.629276809	0.545097629
O60	0.410051343	0.1398811	0.551086001
O61	0.778521777	0.302299613	0.531133565
O62	0.319470644	0.027606432	0.53019007
O63	0.037599057	0.584345931	0.528779361
O64	0.334976328	0.810356993	0.52799764
O65	0.268691855	0.568857208	0.526673964
O66	0.557563131	0.512529218	0.527239787
O67	0.022714712	0.786693011	0.525862124
O68	0.589708117	0.269763383	0.521267989
O69	0.545431666	0.832109284	0.521022702
O70	0.796818367	0.025532723	0.518000368
O71	0.576047908	0.045890375	0.515607272
O72	0.798236289	0.804939971	0.513464486
O73	0.966098161	0.233420071	0.503377852
O74	0.196378964	0.216925589	0.50276192
O75	0.993895646	0.439321598	0.502484994
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	0.586539889	0.033224527	0.681879694
O159	0.333159543	0.247988393	0.698581966
			
beta_O+OH_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922788537	0.249169476	0.49929572
Mn57	0.801092743	-5.06334E-05	0.498933223
Mn58	0.673659299	0.247958594	0.49955324
Mn59	0.67911997	0.751631845	0.499966768
Mn60	0.555454783	0.507253445	0.499906216
Mn61	0.296138077	0.508014986	0.500192877
Mn62	0.0504123	0.00113061	0.498619616
Mn63	0.168440812	0.748287166	0.501527734
Mn64	0.427943159	0.747514184	0.501654487
Mn65	0.424210776	0.503118199	0.580779272
Mn66	0.173765681	0.502099989	0.580783898
Mn67	0.050352478	0.251914189	0.580347268
Mn68	0.29904294	0.751317306	0.581650738
Mn69	0.550127378	0.751578033	0.581716817
Mn70	0.674267728	0.501587297	0.580867602
Mn71	0.673175457	0.002008803	0.579687921
Mn72	0.798192402	0.251486575	0.580814827
Mn73	0.924918985	0.002499133	0.580071718
Mn74	0.924133535	0.50091858	0.580871377
Mn75	0.799834893	0.751818865	0.581681479
Mn76	0.048557131	0.751634574	0.582019294
Mn77	0.547328063	0.252663152	0.579999068
Mn78	0.176620951	1.001582224	0.57877105
Mn79	0.422636941	1.000719839	0.578555101
Mn80	0.300060855	0.253417222	0.579017934
Mn81	0.298645883	0.502878703	0.66158197
Mn82	0.423963927	0.75269078	0.662847128
Mn83	0.174072093	0.752721293	0.662999919
Mn84	0.549142798	0.502729321	0.661647535
Mn85	0.049117443	0.002559152	0.660619521
Mn86	0.799229617	1.002533586	0.660837466
Mn87	0.924258337	0.252247306	0.661650588
Mn88	0.924008076	0.752748646	0.663024597
Mn89	0.799220262	0.502433986	0.661741403
Mn90	0.674236955	0.752711668	0.662905882
Mn91	0.673355512	0.252315312	0.662640042
Mn92	0.54901805	0.002390312	0.660417178
Mn93	0.298918972	0.002279361	0.660415833
Mn94	0.048768935	0.502520232	0.661750579
Mn95	0.174955665	0.252373912	0.66259002
Mn96	0.423282435	0.252449171	0.663454412
Mn97	0.423269153	0.002104844	0.739744139
Mn98	0.172942055	0.003508778	0.740642331
Mn99	0.048761185	0.753830139	0.748529298
Mn100	0.29785474	0.254177808	0.749380031
Mn101	0.54962043	0.253673375	0.74756426
Mn102	0.674976659	1.002629274	0.740298585
Mn103	0.675398486	0.5045144	0.741408308
Mn104	0.799161941	0.753848003	0.748484905
Mn105	0.923956959	0.503614522	0.742903705
Mn106	0.92431836	1.003193845	0.742118977
Mn107	0.799693242	0.253379258	0.746523147
Mn108	0.048137244	0.253446741	0.74635065
Mn109	0.54903994	0.753991308	0.748043335
Mn110	0.172432729	0.50399428	0.741500067
Mn111	0.423360314	0.50562869	0.740193515
Mn112	0.298509607	0.753988128	0.748159528
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	0.921815974	0.597634899	0.500152725
O104	0.678847307	0.599626958	0.499954805
O105	0.427669664	0.894255889	0.4982281
O106	0.673269378	0.094109999	0.498851612
O107	0.674777087	0.404848828	0.499915706
O108	0.924734687	0.097244055	0.499473792
O109	0.16982125	0.598864249	0.500467073
O110	0.42609408	0.600572128	0.500413525
O111	0.680089906	0.900909569	0.49947346
O112	0.179204179	0.088430657	0.497072982
O113	0.302494398	0.258859264	0.527759266
O114	0.543608621	0.253453406	0.528860609
O115	0.050245918	0.251662245	0.530132361
O116	0.798347773	0.250492585	0.531007585
O117	0.801542136	0.751310992	0.531818328
O118	0.55346984	0.750047299	0.531902548
O119	0.04540447	0.749797135	0.532220513
O120	0.298741438	0.748633326	0.532378915
O121	0.29869038	0.501432387	0.549452793
O122	0.048195626	0.500594439	0.549214972
O123	0.549987806	0.502929851	0.549353831
O124	0.799426545	0.500831833	0.549367157
O125	0.799622141	0.000927386	0.548601351
O126	0.049775834	1.001558367	0.548252904
O127	0.548310676	-7.16825E-05	0.547457719
O128	0.300314252	0.997870163	0.546349989
O129	0.176331003	0.155791117	0.578661526
O130	0.673267327	0.348609457	0.580606336
O131	0.424641503	0.654787445	0.581476074
O132	0.17361171	0.654538783	0.581490292
O133	0.924548021	0.15539764	0.580252329
O134	0.674376687	0.848874838	0.581410236
O135	0.672218815	0.1554748	0.579350672
O136	0.424226486	0.350192923	0.580469462
O137	0.675024284	0.65456373	0.58164458
O138	0.924046833	0.654343418	0.581941273
O139	0.924040908	0.348016086	0.580885254
O140	0.174462099	0.349263767	0.580379409
O141	0.924483153	0.849124051	0.581902209
O142	0.424250838	0.848109485	0.581055483
O143	0.17442038	0.848363853	0.581115567
O144	0.423118243	0.155428574	0.578793557
O145	0.299129364	0.501010105	0.61230765
O146	0.548955674	0.500683619	0.612332749
O147	0.798522679	0.005369972	0.611392423
O148	0.049177646	0.500401256	0.61231051
O149	0.798992688	0.499976866	0.612363671
O150	0.050971519	0.00505538	0.611176947
O151	0.547993332	0.004987587	0.610993353
O152	0.299778762	0.004982467	0.610674193
O153	0.298932071	0.751354519	0.63122256
O154	0.549252868	0.751375943	0.631119548
O155	0.049151669	0.751450305	0.631271269
O156	0.797050197	0.251645742	0.630394604
O157	0.051165251	0.2516106	0.630173998
O158	0.79913818	0.751542805	0.631169252
O159	0.547071684	0.25160608	0.630863877
O160	0.300618278	0.251829857	0.630691001
O161	0.424036104	0.599087123	0.662795381
O162	0.173827938	0.906005779	0.661412751
O163	0.424021829	0.905950556	0.66137504
O164	0.92414702	0.906177614	0.66135531
O165	0.17409329	0.406171631	0.663430003
O166	0.924066325	0.405906234	0.66291243
O167	0.924170331	0.098847099	0.662315455
O168	0.67383982	0.098802512	0.66307413
O169	0.423721943	0.406361863	0.664012372
O170	0.67444272	0.598981553	0.662738377
O171	0.674277672	0.906170103	0.661584972
O172	0.923924936	0.598985864	0.662619873
O173	0.174360009	0.098837326	0.662867509
O174	0.423777593	0.098763162	0.663361293
O175	0.67387142	0.406021397	0.663511708
O176	0.173473782	0.599108372	0.662589221
O177	0.299022627	0.753752107	0.694862743
O178	0.549172016	0.753746166	0.694778311
O179	0.048872097	0.753804858	0.694997712
O180	0.799178169	0.75384314	0.694945654
O181	0.800290128	0.252530276	0.693792561
O182	0.550401161	0.252651738	0.696066327
O183	0.047672281	0.252479901	0.693674709
O184	0.2974326	0.252596191	0.69602542
O185	0.29734478	-0.004060824	0.711314954
O186	0.047519616	0.999255878	0.711787291
O187	0.549593869	-0.003132793	0.711433044
O188	0.801127234	0.998682418	0.711815711
O189	0.800833244	0.506516606	0.712593288
O190	0.04718097	0.506704447	0.712577539
O191	0.550496939	0.508909906	0.712314396
O192	0.296684206	0.510318524	0.712212837
O193	0.173341958	0.652198314	0.755781453
O194	0.674206564	0.855972313	0.755279073
O195	0.422686871	0.149299206	0.749739689
O196	0.171643992	0.151122421	0.752010124
O197	0.923889466	0.652620165	0.756326172
O198	0.677015003	0.35740419	0.752502031
O199	0.674321308	0.652341832	0.755697425
O200	0.423785721	0.855928392	0.75519789
O201	0.676804239	0.1496009	0.751833723
O202	0.923969942	0.151683777	0.754597131
O203	0.924031594	0.855386713	0.756062366
O204	0.17347451	0.856035009	0.755430708
O205	0.923818324	0.355016468	0.754985784
O206	0.422856356	0.358300785	0.749269
O207	0.170960732	0.35642633	0.752022812
O208	0.423872747	0.652387045	0.755328324
O209	0.539468388	0.254745473	0.794032098
O210	0.302697909	0.257090629	0.797632735
H1	0.384585145	0.259056614	0.803271201
			
beta_O+O_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Mn1	0.427907569	0.50323089	0.247817612
Mn2	0.168176789	0.502384406	0.247897613
Mn3	0.050835374	0.24980184	0.249029847
Mn4	0.296256321	0.742410804	0.249141066
Mn5	0.555620467	0.743235867	0.249435941
Mn6	0.679179608	0.498724222	0.249457558
Mn7	0.672792946	0.003441539	0.249620703
Mn8	0.800908644	0.249753811	0.24968852
Mn9	0.922921974	0.001053379	0.249825981
Mn10	0.924060062	0.49960001	0.250129671
Mn11	0.799568794	0.750407132	0.250201232
Mn12	0.044475689	0.748076172	0.250490773
Mn13	0.551727587	0.25859578	0.2523665
Mn14	0.172035108	0.990918246	0.252574855
Mn15	0.426477732	0.972772694	0.256491428
Mn16	0.297217007	0.272126069	0.258701445
Mn17	0.297253157	0.477899972	0.324636165
Mn18	0.426490768	0.777196234	0.326837334
Mn19	0.172016967	0.759065604	0.330755478
Mn20	0.55169668	0.491423225	0.330967525
Mn21	0.044475256	0.00192201	0.33284232
Mn22	0.799570131	0.999593919	0.333131428
Mn23	0.92405688	0.250398885	0.333203195
Mn24	0.92292944	0.748952386	0.333506238
Mn25	0.8009193	0.500254637	0.33364521
Mn26	0.672789512	0.746565315	0.333710911
Mn27	0.67918394	0.251269838	0.33387663
Mn28	0.555623359	0.006759443	0.333898063
Mn29	0.296255326	0.007579485	0.334190153
Mn30	0.050825182	0.500211467	0.334304353
Mn31	0.168179819	0.247612797	0.335435577
Mn32	0.427909441	0.246775441	0.335516663
Mn33	0.427907569	0.00323089	0.414484279
Mn34	0.168176789	0.002384406	0.414564279
Mn35	0.050835374	0.74980184	0.415696514
Mn36	0.296256321	0.242410804	0.415807733
Mn37	0.555620467	0.243235867	0.416102608
Mn38	0.679179608	0.998724222	0.416124225
Mn39	0.672792946	0.503441539	0.41628737
Mn40	0.800908644	0.749753811	0.416355186
Mn41	0.922921974	0.501053379	0.416492647
Mn42	0.924060062	0.99960001	0.416796337
Mn43	0.799568794	0.250407132	0.416867899
Mn44	0.044475689	0.248076172	0.41715744
Mn45	0.551727587	0.75859578	0.419033167
Mn46	0.172035108	0.490918246	0.419241522
Mn47	0.426477732	0.472772694	0.423158095
Mn48	0.297217007	0.772126069	0.425368111
Mn49	0.297253157	0.977899972	0.491302831
Mn50	0.426490768	0.277196234	0.493504001
Mn51	0.172016967	0.259065604	0.497422145
Mn52	0.55169668	0.991423225	0.497634191
Mn53	0.044475256	0.50192201	0.499508987
Mn54	0.799570131	0.499593919	0.499798095
Mn55	0.92405688	0.750398885	0.499869862
Mn56	0.922793485	0.249172866	0.499290583
Mn57	0.801100593	-4.23355E-05	0.498925515
Mn58	0.673683355	0.247954907	0.499535373
Mn59	0.679127344	0.751638745	0.499972067
Mn60	0.555461055	0.507268373	0.499907223
Mn61	0.296139694	0.50802329	0.500196801
Mn62	0.05042421	0.001137893	0.498613594
Mn63	0.168437784	0.748290929	0.501531902
Mn64	0.427948359	0.747517826	0.501658249
Mn65	0.424277998	0.503276559	0.580768165
Mn66	0.17375988	0.502244524	0.580798325
Mn67	0.050361148	0.252068931	0.580323465
Mn68	0.299089789	0.751458631	0.581665271
Mn69	0.55017707	0.75172293	0.581729737
Mn70	0.674382613	0.501771109	0.580885141
Mn71	0.673308949	0.002111154	0.579690267
Mn72	0.798287023	0.251648115	0.580803912
Mn73	0.924953536	0.002622076	0.58007609
Mn74	0.924188139	0.501090995	0.580890701
Mn75	0.799916903	0.751966135	0.581698768
Mn76	0.048605922	0.751779513	0.582039586
Mn77	0.547388412	0.252818575	0.579921999
Mn78	0.176594443	1.00172107	0.57876395
Mn79	0.42270596	1.000844225	0.578514739
Mn80	0.300120064	0.253563732	0.578984901
Mn81	0.298702952	0.503026319	0.661556479
Mn82	0.424074722	0.752963393	0.662869674
Mn83	0.174138533	0.752981805	0.663006609
Mn84	0.549400831	0.502989213	0.661617558
Mn85	0.049146262	0.002888222	0.660643947
Mn86	0.799208545	1.002874792	0.660916385
Mn87	0.924223648	0.252569909	0.661804698
Mn88	0.924088232	0.75304136	0.663084774
Mn89	0.799230767	0.502729986	0.661824525
Mn90	0.674365397	0.752985337	0.662913121
Mn91	0.673806701	0.252663051	0.662630514
Mn92	0.549393424	0.002669659	0.660334069
Mn93	0.298893522	0.002610063	0.660305026
Mn94	0.048871669	0.502760726	0.661812697
Mn95	0.174476138	0.252665957	0.662377904
Mn96	0.423772443	0.252661473	0.663187422
Mn97	0.423967245	0.00091525	0.738657875
Mn98	0.172583953	0.00352457	0.741016186
Mn99	0.048800133	0.754059438	0.748567185
Mn100	0.299189497	0.253658655	0.747291983
Mn101	0.548505552	0.253636794	0.747398754
Mn102	0.675307414	1.003554783	0.741193575
Mn103	0.675578822	0.503860014	0.742071275
Mn104	0.799168319	0.754042756	0.74858158
Mn105	0.923936625	0.503828437	0.742764858
Mn106	0.924133248	1.003669814	0.741981966
Mn107	0.79945015	0.253709345	0.746845577
Mn108	0.048585878	0.253750814	0.746651242
Mn109	0.5494695	0.75403676	0.748029371
Mn110	0.172371051	0.503974709	0.741959513
Mn111	0.423978035	0.506566988	0.739565503
Mn112	0.298517029	0.754068461	0.748076934
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	0.921822569	0.597637344	0.500148978
O104	0.678856831	0.599633847	0.499950702
O105	0.427665989	0.89426579	0.498273116
O106	0.673274464	0.094113418	0.498844631
O107	0.674775257	0.404854833	0.49994838
O108	0.924748947	0.097250086	0.499470182
O109	0.169819786	0.598866556	0.500465577
O110	0.426100371	0.60057293	0.50042193
O111	0.6800971	0.9009131	0.499504925
O112	0.179215836	0.088432402	0.497072866
O113	0.302502622	0.258847541	0.527753532
O114	0.543657485	0.253417335	0.528847395
O115	0.050245027	0.251634476	0.530130834
O116	0.798343782	0.250452903	0.531006854
O117	0.801563821	0.751268709	0.53182873
O118	0.553482926	0.749995141	0.531912095
O119	0.045419145	0.749763414	0.532233122
O120	0.298744418	0.748584556	0.532391285
O121	0.298708501	0.501621088	0.549469734
O122	0.048241205	0.500787025	0.54922928
O123	0.550066062	0.503128199	0.549369819
O124	0.799478907	0.501067158	0.549381705
O125	0.799675685	0.001070892	0.548602261
O126	0.049804314	1.001703288	0.548253481
O127	0.548403582	0.000130283	0.54745822
O128	0.300316529	0.998046054	0.54634885
O129	0.176364562	0.155957851	0.578705685
O130	0.673335372	0.34875208	0.580601817
O131	0.424692349	0.654912317	0.581560664
O132	0.173649228	0.654666353	0.581584131
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O210	0.324166381	0.254656358	0.794048721
