21
Lattice="5.143768792957747 -2.9697775806792106 0.0 5.1438715738322625 2.969955601902619 0.0 5.928099772261725e-16 8.033331388743308e-21 25.33824346455767" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-151.85149303098714 stress="1.559948889639264e-05 9.118624065706111e-06 -2.4010022975060735e-06 9.118624065706111e-06 2.793794075966262e-05 -2.3357949475013153e-06 -2.4010022975060735e-06 -2.3357949475013153e-06 -1.8105074910111067e-05" dipole="0.02097252530293682 0.056913716233813166 -3.1396651099510076e-07" magmom=0.0 free_energy=-151.88470799610118 pbc="T T F"
Nb      -0.00005019      -0.00011724       9.17678687        0       0.00000000       0.00017469      -0.00034928      -0.00373639       0.00000000
Se       1.71446798       0.98980539      10.90556910        0       0.00000000       0.00008961       0.00022556       0.00492042       0.00000000
Se       1.71471892       0.98982430       7.48110954        0       0.00000000      -0.00089378       0.00020654      -0.00026109       0.00000000
Nb      -0.00008711      -0.00016430      16.16126296        1       0.00000000      -0.00024642      -0.00025051       0.00471811       0.00000000
Se       5.14368017      -0.98995506      14.43270070        1       0.00000000       0.00042416      -0.00083869      -0.00487082       0.00000000
Se       5.14376982      -0.99020623      17.85720157        1       0.00000000      -0.00015780       0.00053395      -0.00013647       0.00000000
Nb       3.42918035      -0.00008502       9.17695404        0       0.00000000       0.00003119      -0.00021702      -0.00455171       0.00000000
Se       5.14375073       0.98999318      10.90551773        0       0.00000000      -0.00031420      -0.00036020       0.00530433       0.00000000
Se       5.14379657       0.98985740       7.48109847        0       0.00000000      -0.00024512       0.00021534      -0.00011626       0.00000000
Nb       3.42914570      -0.00020863      16.16142840        1       0.00000000      -0.00029071       0.00053314       0.00390329       0.00000000
Se       3.42905042       1.97970451      14.43271892        1       0.00000000       0.00069796       0.00020321      -0.00519312       0.00000000
Se       3.42930516       1.97976084      17.85710632        1       0.00000000      -0.00050050      -0.00017559       0.00046712       0.00000000
Nb       6.85834131      -0.00005636       9.17688708        0       0.00000000       0.00031608      -0.00001815      -0.00414605       0.00000000
Se       3.42909500      -1.98006749      10.90552891        0       0.00000000      -0.00020474       0.00040005       0.00503244       0.00000000
Se       3.42908074      -1.97994163       7.48114061        0       0.00000000       0.00007887      -0.00016295      -0.00046108       0.00000000
Nb       6.85834057      -0.00012876      16.16144908        1       0.00000000      -0.00022948       0.00040111       0.00375421       0.00000000
Se       1.71448845      -0.99017719      14.43273048        1       0.00000000       0.00044696       0.00021508      -0.00516665       0.00000000
Se       1.71447222      -0.99009883      17.85711428        1       0.00000000       0.00014505      -0.00036596       0.00042055       0.00000000
Nb      -0.00015882      -0.00012924      12.66921111        2       0.00000000       0.00021776      -0.00022035      -0.00035529       0.00000000
Nb       3.42910395      -0.00017552      12.66907839        2       0.00000000       0.00004565       0.00021256       0.00021371       0.00000000
Nb       6.85825102      -0.00002162      12.66908823        2       0.00000000       0.00041483      -0.00018783       0.00021651       0.00000000