R_slab_init.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Nd1	0.640337727	0.246546327	0.311434836
Mn1	0.100528249	0.797587104	0.399254258
Mn2	0.61089822	0.764742421	0.405980147
Mn3	0.612185408	0.258343043	0.401774043
Mn4	0.114362399	0.27910883	0.393186477
Mn5	0.338574881	0.525125314	0.35806965
Mn6	0.892282359	0.523488065	0.356716863
Mn7	0.357173788	0.998723733	0.352845181
Mn8	0.91803125	0.983422994	0.352798691
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	0.378468884	0.86916215	0.392182064
O2	0.833494312	0.883106772	0.396620587
O3	0.617643765	0.619270962	0.379818992
O4	0.109601231	0.633033455	0.380057267
O5	0.376826496	0.369170467	0.393818674
O6	0.850218118	0.366515865	0.394176279
O7	0.125231313	0.111449517	0.374426913
O8	0.615126594	0.125767918	0.369867403
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
			
alpha_slab_init.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Nd1	0.425627533	0.161883263	0.59080317
Nd2	0.086882914	0.835292708	0.474586696
Nd3	0.75354958	0.501959375	0.358535626
Mn1	0.272986578	0.065829651	0.666844204
Mn2	0.066891034	0.52075144	0.657698059
Mn3	0.27643703	0.561649508	0.659029238
Mn4	0.563124571	0.527091041	0.658413511
Mn5	0.314115752	0.810335811	0.659300032
Mn6	0.815292076	0.3149138	0.654600986
Mn7	0.052619131	0.298932557	0.653303282
Mn8	0.552631721	0.791736592	0.656599336
Mn9	0.061200075	0.799274069	0.655078117
Mn10	0.538991861	0.309230941	0.654429505
Mn11	0.290695867	0.290965039	0.653606778
Mn12	0.544992337	0.072542774	0.65288986
Mn13	0.782445041	0.777588321	0.651384239
Mn14	0.833841389	0.032790027	0.651554685
Mn15	0.038230567	0.075164313	0.654800953
Mn16	0.82820529	0.534909052	0.654413729
Mn17	0.300576706	0.053637199	0.613814536
Mn18	0.662397015	0.136215436	0.603644806
Mn19	0.891025159	0.858382402	0.603751598
Mn20	0.609885606	0.39192946	0.601087145
Mn21	0.146392437	0.65255875	0.600006155
Mn22	0.613445748	0.885347096	0.599126326
Mn23	0.411853287	0.840108387	0.596497804
Mn24	0.386649077	0.632684705	0.595973333
Mn25	0.881928813	0.633273987	0.598000172
Mn26	0.886917335	0.129154968	0.597690385
Mn27	0.153500091	0.382356822	0.59365321
Mn28	0.367234765	0.421870535	0.592584863
Mn29	0.629337276	0.613003477	0.593376319
Mn30	0.161404451	0.875963415	0.593588726
Mn31	0.874133432	0.410720987	0.592417652
Mn32	0.100894181	0.141666471	0.590546191
Mn33	0.948648152	0.729689178	0.549144741
Mn34	0.726433272	0.194160997	0.544831547
Mn35	0.93845603	0.231227673	0.542896425
Mn36	0.22448696	0.196617872	0.542658519
Mn37	0.974002107	0.488658616	0.542146656
Mn38	0.479726562	0.978118097	0.537714849
Mn39	0.718702008	0.965676045	0.538917975
Mn40	0.219159227	0.465246899	0.538852005
Mn41	0.719724597	0.46623489	0.539134344
Mn42	0.216817959	0.967383764	0.538874824
Mn43	0.957103936	0.955594483	0.536822583
Mn44	0.220697762	0.731055826	0.535780051
Mn45	0.460115788	0.447797504	0.535158748
Mn46	0.496604049	0.699602686	0.534659415
Mn47	0.710953263	0.737186031	0.532930085
Mn48	0.497679698	0.203130497	0.5312797
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	0.994395066	0.437148659	0.673323294
O2	0.184730649	0.220956648	0.676091225
O3	0.970476065	0.238814005	0.671733116
O4	0.187550851	0.987294221	0.670394596
O5	0.230386079	0.442200696	0.667904262
O6	0.490125115	0.691464385	0.666102822
O7	0.714356978	0.689111226	0.664544592
O8	0.224337477	0.73146727	0.666309484
O9	0.440488657	0.472844256	0.66573631
O10	0.446398055	0.24308607	0.663740929
O11	0.997963505	0.958743012	0.663913297
O12	0.733939916	0.475318075	0.666131359
O13	0.111740137	0.636568282	0.64858214
O14	0.651226303	0.360283378	0.647551943
O15	0.38760335	0.913293908	0.651503907
O16	0.660804938	0.144638702	0.647304684
O17	0.617836303	0.898228057	0.654136172
O18	0.884755389	0.85049902	0.646541168
O19	0.36193372	0.125650748	0.642071979
O20	0.911312063	0.618787699	0.644082631
O21	0.878061876	0.160613909	0.639696531
O22	0.133309621	0.362701411	0.632987762
O23	0.909642056	0.380525735	0.631544809
O24	0.124975755	0.151024245	0.62989255
O25	0.301933341	0.577828967	0.616622364
O26	0.52583732	0.550830857	0.616596389
O27	0.333251034	0.771384077	0.616464083
O28	0.568477827	0.763279573	0.609964485
O29	0.076786504	0.812650668	0.611003173
O30	0.593479813	0.044018904	0.610463836
O31	0.512905404	0.317956668	0.609313229
O32	0.307257715	0.333430425	0.608063693
O33	0.831977659	0.016042756	0.608158189
O34	0.771431539	0.792494085	0.607357724
O35	0.781615096	0.570669706	0.605122183
O36	0.047907445	0.032305062	0.603050507
O37	0.723810976	0.234285661	0.591270887
O38	0.988706829	0.69287358	0.59151545
O39	0.449204774	0.965946009	0.589809541
O40	0.993492598	0.477136513	0.585717524
O41	0.258293056	0.948116457	0.584996097
O42	0.226020292	0.184760721	0.584147645
O43	0.932078524	0.252053428	0.584422575
O44	0.696473865	0.453446599	0.583085308
O45	0.206317877	0.512331646	0.57880655
O46	0.244185788	0.715843512	0.575148183
O47	0.447467392	0.491096261	0.574369677
O48	0.472620646	0.688990004	0.573975804
O49	0.637300058	0.126012507	0.563351592
O50	0.864017593	0.882576816	0.562892756
O51	0.633800816	0.904564857	0.557245768
O52	0.847206076	0.660875734	0.554482378
O53	0.892819776	0.099969421	0.556317716
O54	0.166490157	0.361387342	0.551192992
O55	0.396837614	0.348547966	0.548714771
O56	0.878553847	0.421606889	0.550592479
O57	0.101258161	0.133310632	0.550095661
O58	0.119228698	0.902939579	0.546760273
O59	0.659072486	0.631156464	0.5458493
O60	0.405912767	0.143337788	0.545298973
O61	0.776932479	0.30205914	0.532440184
O62	0.317999651	0.026166513	0.530393374
O63	0.039062586	0.587077007	0.529241283
O64	0.336674287	0.807750927	0.528564228
O65	0.272607961	0.567854558	0.52768685
O66	0.560032602	0.511328604	0.527612623
O67	0.025265259	0.794922944	0.523364951
O68	0.589929252	0.27175992	0.521651671
O69	0.545596445	0.829825666	0.52070185
O70	0.796087916	0.031755101	0.519411607
O71	0.58093778	0.046542838	0.514743292
O72	0.795249847	0.808361589	0.513205047
O73	0.963172293	0.235935775	0.503839765
O74	0.195223516	0.217688454	0.502923892
O75	0.995071376	0.439778841	0.502676674
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
			
beta_slab_init.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Nd1	0.359358377	0.624962797	0.374996024
Nd2	0.359358377	0.124962797	0.541662691
Nd3	0.359358377	0.624962797	0.708329358
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	0.92292944	0.248952386	0.500172904
Mn57	0.8009193	0.000254637	0.500311876
Mn58	0.672789512	0.246565315	0.500377578
Mn59	0.67918394	0.751269838	0.500543297
Mn60	0.555623359	0.506759443	0.50056473
Mn61	0.296255326	0.507579485	0.50085682
Mn62	0.050825182	0.000211467	0.500971019
Mn63	0.168179819	0.747612797	0.502102244
Mn64	0.427909441	0.746775441	0.502183329
Mn65	0.427907569	0.50323089	0.581150946
Mn66	0.168176789	0.502384406	0.581230946
Mn67	0.050835374	0.24980184	0.582363181
Mn68	0.296256321	0.742410804	0.582474399
Mn69	0.555620467	0.743235867	0.582769275
Mn70	0.679179608	0.498724222	0.582790892
Mn71	0.672792946	0.003441539	0.582954036
Mn72	0.800908644	0.249753811	0.583021853
Mn73	0.922921974	0.001053379	0.583159314
Mn74	0.924060062	0.49960001	0.583463004
Mn75	0.799568794	0.750407132	0.583534566
Mn76	0.044475689	0.748076172	0.583824106
Mn77	0.551727587	0.25859578	0.585699833
Mn78	0.172035108	0.990918246	0.585908188
Mn79	0.426477732	0.972772694	0.589824762
Mn80	0.297217007	0.272126069	0.592034778
Mn81	0.297253157	0.477899972	0.657969498
Mn82	0.426490768	0.777196234	0.660170668
Mn83	0.172016967	0.759065604	0.664088812
Mn84	0.55169668	0.491423225	0.664300858
Mn85	0.044475256	0.00192201	0.666175654
Mn86	0.799570131	0.999593919	0.666464762
Mn87	0.92405688	0.250398885	0.666536529
Mn88	0.92292944	0.748952386	0.666839571
Mn89	0.8009193	0.500254637	0.666978543
Mn90	0.672789512	0.746565315	0.667044245
Mn91	0.67918394	0.251269838	0.667209963
Mn92	0.555623359	0.006759443	0.667231397
Mn93	0.296255326	0.007579485	0.667523487
Mn94	0.050825182	0.500211467	0.667637686
Mn95	0.168179819	0.247612797	0.668768911
Mn96	0.427909441	0.246775441	0.668849996
Mn97	0.427907569	0.00323089	0.747817612
Mn98	0.168176789	0.002384406	0.747897613
Mn99	0.050835374	0.74980184	0.749029847
Mn100	0.296256321	0.242410804	0.749141066
Mn101	0.555620467	0.243235867	0.749435941
Mn102	0.679179608	0.998724222	0.749457558
Mn103	0.672792946	0.503441539	0.749620703
Mn104	0.800908644	0.749753811	0.74968852
Mn105	0.922921974	0.501053379	0.749825981
Mn106	0.924060062	0.99960001	0.750129671
Mn107	0.799568794	0.250407132	0.750201232
Mn108	0.044475689	0.248076172	0.750490773
Mn109	0.551727587	0.75859578	0.7523665
Mn110	0.172035108	0.490918246	0.752574855
Mn111	0.426477732	0.472772694	0.756491428
Mn112	0.297217007	0.772126069	0.758701445
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	0.92152616	0.597810088	0.500053716
O104	0.679308366	0.599543157	0.50031955
O105	0.426757396	0.894287396	0.500386183
O106	0.67252845	0.093463829	0.500564832
O107	0.674126135	0.40409814	0.500715234
O108	0.925341528	0.096656848	0.501035463
O109	0.169383158	0.598660357	0.501059034
O110	0.426473649	0.600157675	0.501199302
O111	0.678915636	0.901579118	0.501379219
O112	0.187746777	0.089679664	0.502319823
O113	0.299549176	0.281265677	0.527087611
O114	0.535899207	0.243901972	0.53087101
O115	0.051167524	0.250838463	0.531414192
O116	0.798643435	0.249385075	0.532369013
O117	0.802117605	0.751590955	0.532659613
O118	0.554200125	0.748511809	0.532859022
O119	0.044564344	0.750827628	0.533188764
O120	0.297706387	0.747288106	0.533269662
O121	0.297705731	0.502696958	0.550061982
O122	0.044564628	0.499156914	0.550143371
O123	0.554196684	0.501472551	0.550473624
O124	0.802118951	0.498397835	0.550673291
O125	0.798641161	0.000634424	0.55096479
O126	0.051166075	0.99918067	0.551919711
O127	0.535904484	0.006098336	0.552463743
O128	0.299553667	0.968735142	0.556246504
O129	0.187752227	0.160330685	0.581017397
O130	0.678904529	0.348413815	0.581958332
O131	0.426478152	0.649833463	0.582129045
O132	0.169372944	0.651337358	0.582265723
O133	0.925344284	0.153347362	0.582295646
O134	0.674127556	0.845900989	0.582615262
O135	0.672519324	0.156541276	0.582766036
O136	0.426749655	0.355716419	0.58295206
O137	0.67931521	0.650452861	0.583016281
O138	0.92152108	0.652186794	0.583281185
O139	0.925868669	0.345646324	0.58350497
O140	0.168188364	0.352809381	0.58370498
O141	0.923111993	0.84698464	0.584461854
O142	0.427402621	0.831941045	0.585853454
O143	0.16993541	0.840572616	0.585953685
O144	0.423945138	0.172016626	0.593059129
O145	0.296101284	0.494562213	0.61106414
O146	0.554594691	0.49484682	0.613896415
O147	0.797586869	0.001995766	0.615102794
O148	0.049224574	0.504658515	0.61543727
O149	0.800662962	0.498993843	0.615728402
O150	0.045193389	0.006213558	0.616003473
O151	0.554568792	0.0017832	0.617062664
O152	0.297827399	0.004222039	0.617924479
O153	0.297823108	0.745764488	0.632074943
O154	0.554564913	0.748221643	0.63293923
O155	0.045199765	0.743786802	0.633997022
O156	0.800662938	0.25099993	0.634272052
O157	0.049224338	0.245346823	0.634563461
O158	0.797587629	0.748019547	0.634896962
O159	0.554592168	0.255158677	0.636103839
O160	0.296106045	0.25548807	0.638936552
O161	0.423944793	0.577989685	0.656951507
O162	0.169941103	0.909416653	0.664042449
O163	0.427400268	0.918044935	0.664144434
O164	0.923113109	0.903018138	0.665532202
O165	0.168172626	0.397187473	0.666301328
O166	0.925867825	0.4043549	0.666500648
O167	0.92152616	0.097810088	0.666720383
O168	0.679308366	0.099543157	0.666986217
O169	0.426757396	0.394287396	0.667052849
O170	0.67252845	0.593463829	0.667231499
O171	0.674126135	0.90409814	0.667381901
O172	0.925341528	0.596656848	0.66770213
O173	0.169383158	0.098660357	0.6677257
O174	0.426473649	0.100157675	0.667865968
O175	0.678915636	0.401579118	0.668045886
O176	0.187746777	0.589679664	0.66898649
O177	0.299549176	0.781265677	0.693754277
O178	0.535899207	0.743901972	0.697537677
O179	0.051167524	0.750838463	0.698080858
O180	0.798643435	0.749385075	0.69903568
O181	0.802117605	0.251590955	0.699326279
O182	0.554200125	0.248511809	0.699525688
O183	0.044564344	0.250827628	0.699855431
O184	0.297706387	0.247288106	0.699936328
O185	0.297705731	0.002696958	0.716728649
O186	0.044564628	0.999156914	0.716810038
O187	0.554196684	0.001472551	0.717140291
O188	0.802118951	0.998397835	0.717339957
O189	0.798641161	0.500634424	0.717631456
O190	0.051166075	0.49918067	0.718586377
O191	0.535904484	0.506098336	0.719130409
O192	0.299553667	0.468735142	0.72291317
O193	0.187752227	0.660330685	0.747684063
O194	0.678904529	0.848413815	0.748624998
O195	0.426478152	0.149833463	0.748795712
O196	0.169372944	0.151337358	0.74893239
O197	0.925344284	0.653347362	0.748962313
O198	0.674127556	0.345900989	0.749281928
O199	0.672519324	0.656541276	0.749432703
O200	0.426749655	0.855716419	0.749618727
O201	0.67931521	0.150452861	0.749682947
O202	0.92152108	0.152186794	0.749947851
O203	0.925868669	0.845646324	0.750171636
O204	0.168188364	0.852809381	0.750371647
O205	0.923111993	0.34698464	0.751128521
O206	0.427402621	0.331941045	0.752520121
O207	0.16993541	0.340572616	0.752620352
O208	0.423945138	0.672016626	0.759725796
			
R_slab_fin.vasp			
	5.80038	0	0
	0	9.589596	0
	0	0.476887	37.022636
Nd1	0.640337727	0.246546327	0.311434836
Mn1	0.12266007	0.791906622	0.411524475
Mn2	0.629361439	0.791615088	0.413292318
Mn3	0.613859368	0.271859696	0.408662524
Mn4	0.121932275	0.291430815	0.380006463
Mn5	0.365220461	0.534130299	0.361679229
Mn6	0.866435752	0.533658011	0.360496834
Mn7	0.370083347	0.994123664	0.353589465
Mn8	0.88078069	0.990439318	0.356930323
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	0.381273912	0.911533445	0.402241613
O2	0.870908252	0.921720981	0.410407538
O3	0.616649079	0.636490563	0.383546131
O4	0.113834955	0.632064809	0.38104526
O5	0.362982225	0.402668336	0.402299668
O6	0.869243548	0.396845235	0.400480043
O7	0.126273812	0.096393381	0.374042234
O8	0.606117281	0.132987849	0.369907998
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
			
alpha_slab_fin.vasp			
	6.810024	-11.8836	0
	13.659121	0	0
	-0.055774	-0.084976	48.50132
Nd1	0.420216247	0.168626042	0.590637767
Nd2	0.086882914	0.835292708	0.474586696
Nd3	0.75354958	0.501959375	0.358535626
Mn1	0.282806391	0.064697222	0.664667397
Mn2	0.05880947	0.527603305	0.660391309
Mn3	0.271688619	0.564314078	0.658543455
Mn4	0.557008516	0.530337934	0.658421227
Mn5	0.310084629	0.818344339	0.658321482
Mn6	0.812281165	0.309649072	0.655285904
Mn7	0.05161102	0.298975618	0.655226766
Mn8	0.552935379	0.797435043	0.655192198
Mn9	0.052343531	0.799580136	0.654951743
Mn10	0.55134861	0.298737849	0.654909769
Mn11	0.290816842	0.288719552	0.652667596
Mn12	0.555854562	0.062473915	0.652069476
Mn13	0.79315921	0.780933534	0.651843761
Mn14	0.831506546	0.034945365	0.650853202
Mn15	0.045454728	0.070391397	0.649385663
Mn16	0.829798762	0.535643388	0.647474904
Mn17	0.302423657	0.050001323	0.611264773
Mn18	0.661488744	0.139216234	0.602668755
Mn19	0.898358534	0.85765587	0.602561438
Mn20	0.60817218	0.391710089	0.600969133
Mn21	0.147346199	0.650256139	0.600666733
Mn22	0.617140809	0.886653212	0.600113901
Mn23	0.413330387	0.837821618	0.598069649
Mn24	0.386333315	0.632114404	0.597484397
Mn25	0.883526783	0.63413928	0.596924003
Mn26	0.886374633	0.130741409	0.59660838
Mn27	0.149957952	0.385930464	0.594781275
Mn28	0.366923948	0.421799938	0.593565348
Mn29	0.626225637	0.612513693	0.593518544
Mn30	0.163230611	0.872482592	0.592985607
Mn31	0.872108005	0.409449785	0.591917147
Mn32	0.102318757	0.138378626	0.589920931
Mn33	0.949473058	0.731363889	0.548616326
Mn34	0.725476136	0.194269972	0.544340239
Mn35	0.938355286	0.230980745	0.542492385
Mn36	0.223675183	0.197004601	0.542370157
Mn37	0.976751295	0.485011005	0.542270411
Mn38	0.478947832	0.976315739	0.539234833
Mn39	0.718277686	0.965642285	0.539175696
Mn40	0.219602046	0.464101709	0.539141127
Mn41	0.719010197	0.466246802	0.538900672
Mn42	0.218015277	0.965404516	0.538858699
Mn43	0.957483509	0.955386218	0.536616526
Mn44	0.222521229	0.729140582	0.536018405
Mn45	0.459825877	0.447600201	0.53579269
Mn46	0.498173213	0.701612032	0.534802132
Mn47	0.712121395	0.737058064	0.533334593
Mn48	0.496465428	0.202310054	0.531423833
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	0.970676365	0.458048025	0.6793923
O2	0.198136105	0.218618438	0.678633545
O3	0.97010474	0.23465322	0.674894732
O4	0.18147969	0.998439082	0.672592911
O5	0.225392799	0.432987727	0.672495453
O6	0.498203656	0.694866088	0.667226804
O7	0.730739947	0.677148163	0.666717576
O8	0.209456299	0.755084418	0.666376466
O9	0.434615812	0.464285169	0.665812177
O10	0.453266591	0.234548667	0.662908542
O11	0.994087765	0.964624676	0.661867444
O12	0.737822457	0.476146318	0.661410172
O13	0.110502874	0.633653515	0.64780051
O14	0.650682071	0.358998564	0.646460915
O15	0.370882166	0.922170803	0.644948545
O16	0.670510576	0.140328506	0.644493967
O17	0.607534405	0.899623761	0.644149854
O18	0.894517925	0.844784258	0.643725246
O19	0.35855574	0.128692169	0.638884945
O20	0.921503667	0.605015235	0.637743548
O21	0.879718371	0.163646897	0.636827836
O22	0.128659576	0.365121366	0.635315046
O23	0.914020301	0.378823258	0.631078086
O24	0.130464615	0.140129158	0.62945561
O25	0.296936378	0.569370527	0.619688076
O26	0.528512988	0.551063071	0.618771884
O27	0.328143115	0.773261239	0.618690838
O28	0.564794646	0.757714618	0.613411303
O29	0.080194272	0.811300485	0.611861097
O30	0.585887139	0.055964719	0.611483737
O31	0.513283297	0.31743784	0.610225008
O32	0.304272354	0.337093686	0.610160629
O33	0.834783207	0.015444578	0.609948108
O34	0.777784677	0.789426229	0.608815424
O35	0.777345795	0.568239619	0.604746816
O36	0.049297753	0.029717941	0.602405264
O37	0.722656528	0.235518577	0.590247849
O38	0.994772962	0.696900879	0.589800059
O39	0.452327188	0.962618205	0.58891614
O40	0.990763098	0.478471457	0.585083687
O41	0.262233206	0.941946394	0.583978792
O42	0.223792941	0.185312722	0.583899272
O43	0.93406012	0.251924415	0.583855577
O44	0.69255052	0.452977461	0.582376602
O45	0.206884845	0.510569868	0.579110916
O46	0.244487019	0.713387788	0.575711865
O47	0.447609005	0.490533673	0.5756925
O48	0.47544114	0.694427488	0.573843772
O49	0.637343032	0.124714692	0.563341229
O50	0.864802772	0.885285104	0.562582474
O51	0.636771407	0.901319887	0.558843662
O52	0.848146356	0.665105749	0.55654184
O53	0.892059466	0.099654393	0.556444383
O54	0.164870323	0.361532755	0.551175734
O55	0.397406614	0.343814829	0.550666505
O56	0.876122966	0.421751084	0.550325396
O57	0.101282479	0.130951836	0.549761107
O58	0.119933258	0.901215334	0.546857471
O59	0.660754431	0.631291342	0.545816374
O60	0.404489123	0.142812985	0.545359101
O61	0.777169541	0.300320181	0.531749439
O62	0.317348737	0.025665231	0.530409845
O63	0.037548832	0.588837469	0.528897475
O64	0.337177243	0.806995173	0.528442896
O65	0.274201072	0.566290428	0.528098784
O66	0.561184592	0.511450925	0.527674176
O67	0.025222406	0.795358836	0.522833875
O68	0.588170334	0.271681902	0.521692478
O69	0.546385038	0.830313564	0.520776766
O70	0.795326242	0.031788033	0.519263975
O71	0.580686968	0.045489924	0.515027015
O72	0.797131281	0.806795825	0.51340454
O73	0.963603045	0.236037193	0.503637006
O74	0.195179655	0.217729737	0.502720813
O75	0.994809782	0.439927906	0.502639767
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
			
beta_slab_fin.vasp			
	11.784793	0.732334	-0.000531
	-0.806271	12.974195	0.000031
	0.015424	-0.219264	38.78675
Nd1	0.359358377	0.624962797	0.374996024
Nd2	0.359946893	0.127488876	0.542055863
Nd3	0.389880537	0.629156939	0.72489384
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	0.92290503	0.248847274	0.500276816
Mn57	0.800746935	0.000153749	0.49995085
Mn58	0.672542957	0.246490177	0.500400456
Mn59	0.67896729	0.751043528	0.50037256
Mn60	0.55569115	0.506347668	0.500795502
Mn61	0.296299463	0.507304153	0.500884824
Mn62	0.050944253	0.000380752	0.500587501
Mn63	0.168179737	0.747527554	0.502059097
Mn64	0.427616211	0.746506024	0.502174898
Mn65	0.423964457	0.50202955	0.581628447
Mn66	0.169644156	0.500550279	0.581621719
Mn67	0.051434996	0.249358089	0.583179988
Mn68	0.294235043	0.740111159	0.582676835
Mn69	0.554668631	0.74198192	0.582572202
Mn70	0.677249636	0.497474918	0.582996084
Mn71	0.671976417	0.002942999	0.582451747
Mn72	0.799817953	0.24920231	0.583625926
Mn73	0.923405331	0.000767345	0.582384699
Mn74	0.925462392	0.497815724	0.583086939
Mn75	0.799723974	0.749789599	0.582788334
Mn76	0.044150863	0.746529131	0.583725197
Mn77	0.549636533	0.257744988	0.587610273
Mn78	0.17239741	0.98943344	0.58545575
Mn79	0.425848883	0.969549552	0.58842479
Mn80	0.297048917	0.269572816	0.594772858
Mn81	0.29778913	0.491479123	0.661798424
Mn82	0.421990467	0.759773547	0.661612735
Mn83	0.173148744	0.74802042	0.665818206
Mn84	0.547990832	0.49492896	0.664259997
Mn85	0.047285803	-0.00125654	0.665473029
Mn86	0.801255592	1.00185379	0.664530728
Mn87	0.923308532	0.250217661	0.667321669
Mn88	0.925727201	0.745661607	0.667445789
Mn89	0.803010307	0.496374862	0.665812008
Mn90	0.675207012	0.759521196	0.663714997
Mn91	0.67578031	0.252208041	0.668180331
Mn92	0.55532866	0.005396505	0.666081304
Mn93	0.29230036	-0.001034395	0.666699313
Mn94	0.05272817	0.499659702	0.669265725
Mn95	0.169371835	0.249670356	0.671012556
Mn96	0.426041753	0.248397501	0.672460265
Mn97	0.423371261	-0.001418265	0.728642915
Mn98	0.170741179	0.004213039	0.753005312
Mn99	0.065018472	0.754996003	0.753019303
Mn100	0.293447719	0.230379844	0.757037271
Mn101	0.544446376	0.210695743	0.75981761
Mn102	0.685760517	1.002969275	0.751085248
Mn103	0.676752098	0.62484131	0.715482672
Mn104	0.81493401	0.765182297	0.757900404
Mn105	0.915255139	0.507906683	0.746212074
Mn106	0.928166706	1.008057618	0.742581652
Mn107	0.78969004	0.254459231	0.753105089
Mn108	0.039476005	0.253494563	0.754543497
Mn109	0.561107403	0.785948733	0.764572491
Mn110	0.195368858	0.478936071	0.753041229
Mn111	0.50245555	0.407644802	0.744375949
Mn112	0.308207661	0.787652103	0.772932286
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	0.921478611	0.597746868	0.500626745
O104	0.679070564	0.599349993	0.500624606
O105	0.42685144	0.894099705	0.500154289
O106	0.672316129	0.093349414	0.50047996
O107	0.674098764	0.403923991	0.500716396
O108	0.925230829	0.096576571	0.501092913
O109	0.169495124	0.598518559	0.501352196
O110	0.426437839	0.599905155	0.501501014
O111	0.678767664	0.901449284	0.501406427
O112	0.18789798	0.090080788	0.502245751
O113	0.29952942	0.281670957	0.526499564
O114	0.534792827	0.243986122	0.530625575
O115	0.051574745	0.250181969	0.531614579
O116	0.798069637	0.248896044	0.532610116
O117	0.80188887	0.751425963	0.532539709
O118	0.553902615	0.748145192	0.53288533
O119	0.044359974	0.751006508	0.53309368
O120	0.297529713	0.747160942	0.533233151
O121	0.298169155	0.500367784	0.550064187
O122	0.045216561	0.496186872	0.550074556
O123	0.552790494	0.499404675	0.550923873
O124	0.80008942	0.49669552	0.550885997
O125	0.798197728	0.000941388	0.55057476
O126	0.051701046	0.999948275	0.551477045
O127	0.535711836	0.005522038	0.551901628
O128	0.29936177	0.969579474	0.555221657
O129	0.188785951	0.158954982	0.582298039
O130	0.676667803	0.347742762	0.583357801
O131	0.425252075	0.64859514	0.582300715
O132	0.167958711	0.649573284	0.581289002
O133	0.925309473	0.152800962	0.583460647
O134	0.673485276	0.844404622	0.582657209
O135	0.670792278	0.15585214	0.583882834
O136	0.423922519	0.354027513	0.584056379
O137	0.678793473	0.649525972	0.583444589
O138	0.921401035	0.650897293	0.583368699
O139	0.92576544	0.344620651	0.583895915
O140	0.170605247	0.351073015	0.584412759
O141	0.923475178	0.846027627	0.584314835
O142	0.425361067	0.829849038	0.585639581
O143	0.169413455	0.838870375	0.58538244
O144	0.422831511	0.168928562	0.59446094
O145	0.296552306	0.498360244	0.612107732
O146	0.548831395	0.498073561	0.615178221
O147	0.798500085	-2.391E-05	0.614138407
O148	0.050065309	0.501407433	0.614734995
O149	0.802121827	0.497181305	0.615955702
O150	0.044947152	0.00276711	0.61534248
O151	0.550099836	-0.003051783	0.616830034
O152	0.301690807	-0.003368465	0.617898679
O153	0.292554562	0.740923661	0.631879331
O154	0.552527545	0.749866705	0.633000399
O155	0.046772018	0.739927196	0.634780452
O156	0.79923128	0.252936004	0.63494775
O157	0.050703883	0.251664798	0.635814274
O158	0.800045524	0.749515619	0.6342149
O159	0.548160364	0.257201536	0.638252434
O160	0.298076408	0.259492398	0.641731931
O161	0.421449565	0.59116799	0.665337358
O162	0.169951636	0.901355819	0.662952308
O163	0.429635686	0.910059847	0.672566761
O164	0.922911698	0.901670433	0.667805747
O165	0.175596834	0.401255591	0.673690417
O166	0.925002874	0.403255636	0.671664289
O167	0.924257206	0.096565092	0.667735426
O168	0.677605978	0.100358389	0.6647024
O169	0.425359699	0.401490051	0.673613151
O170	0.674457811	0.597817611	0.666191196
O171	0.676062838	0.904723987	0.666439056
O172	0.926254977	0.594867318	0.670049014
O173	0.171512473	0.096059679	0.665679009
O174	0.422989424	0.095417004	0.674535296
O175	0.675054347	0.403435414	0.667888252
O176	0.183083657	0.594560291	0.672991463
O177	0.302911676	0.760009552	0.695435878
O178	0.560944932	0.733224254	0.70385394
O179	0.052556883	0.751016896	0.699182689
O180	0.785703207	0.738202711	0.701290154
O181	0.798517291	0.24910403	0.699713034
O182	0.550715486	0.2517229	0.70328669
O183	0.043894771	0.247647182	0.701100954
O184	0.296732594	0.245176226	0.704166857
O185	0.27607249	-0.014036931	0.716417215
O186	0.056118357	1.000727128	0.71668878
O187	0.572696616	0.006881675	0.716836441
O188	0.797712017	0.997149347	0.7167065
O189	0.782460564	0.516810584	0.717675544
O190	0.062225149	0.503014255	0.729862799
O191	0.556438097	0.522243625	0.717128282
O192	0.354107832	0.474715872	0.746529482
O193	0.207301098	0.66784087	0.760345589
O194	0.696169305	0.869514273	0.769441786
O195	0.411563131	0.118805079	0.758959225
O196	0.159497365	0.146911401	0.764745426
O197	0.929858336	0.65680419	0.760737826
O198	0.641452906	0.331251867	0.76126967
O199	0.680094547	0.675227598	0.761541102
O200	0.434246105	0.885341442	0.763276456
O201	0.685024391	0.139218746	0.76643531
O202	0.91827083	0.152614595	0.759246379
O203	0.939592401	0.860391972	0.759239536
O204	0.171994602	0.865257591	0.771149962
O205	0.911837691	0.357969309	0.759634611
O206	0.427662553	0.305627661	0.771158597
O207	0.174315252	0.33864497	0.765135972
O208	0.438365993	0.700349305	0.777757575
