21
Lattice="-5.134043592331707 -2.963811443679418 0.0 -0.0013247897977334982 5.929914518753846 0.0 -4.6335613903701e-16 7.233949161022443e-20 25.472926978767163" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-150.4741924721742 stress="2.3640362455512622e-05 -8.211714466355708e-05 -4.7693578529312915e-05 -8.211714466355708e-05 -5.768300437567961e-06 4.634435147577465e-05 -4.7693578529312915e-05 4.634435147577465e-05 -0.0001275737946860932" dipole="0.06022451379907843 0.03441801063412584 2.3060883533046725e-06" magmom=0.0 free_energy=-150.52119085531143 pbc="T T F"
Nb      -3.42047806       0.00103594       9.19861854        0       0.00000000       0.00164839      -0.00097072       0.00497004       0.00000000
Se      -1.71119897       0.98917740      10.99563733        0       0.00000000      -0.00001764      -0.00413399      -0.00744440       0.00000000
Se      -3.42441634       1.97666639       7.50713444        0       0.00000000       0.00043124       0.00223454      -0.00505862       0.00000000
Nb      -3.42491572      -0.00003407      16.27389841        1       0.00000000       0.00075413       0.00111302      -0.00422164       0.00000000
Se      -1.71291124       0.98943633      17.96515959        1       0.00000000       0.00259528      -0.00399776       0.00474692       0.00000000
Se      -3.42417890       1.97686174      14.47758164        1       0.00000000      -0.00028380       0.00313616       0.00718716       0.00000000
Nb      -0.00110863       0.00121194       9.19878570        0       0.00000000       0.00009805      -0.00007068       0.00470456       0.00000000
Se      -3.42205715      -1.97563959      10.99494861        0       0.00000000      -0.00006922      -0.00299440      -0.00653080       0.00000000
Se       0.00012227       1.97619242       7.50746940        0       0.00000000      -0.00128946       0.00268599      -0.00529488       0.00000000
Nb      -0.00083020       0.00037200      16.27479555        1       0.00000000       0.00130539       0.00140558      -0.00842243       0.00000000
Se      -3.42268545      -1.97537286      17.96544090        1       0.00000000      -0.00011769      -0.00413739       0.00542331       0.00000000
Se      -0.00080055       1.97575349      14.47722988        1       0.00000000      -0.00169394       0.00402687       0.00770477       0.00000000
Nb      -1.71287524       2.96307250       9.19850206        0       0.00000000       0.00055691      -0.00199561       0.00546643       0.00000000
Se      -0.00032148       3.95325233      10.99487626        0       0.00000000       0.00020985      -0.00261761      -0.00707987       0.00000000
Se      -1.71098698      -0.98964189       7.50719542        0       0.00000000      -0.00132659       0.00447322      -0.00522098       0.00000000
Nb      -1.71202306       2.96529138      16.27350429        1       0.00000000       0.00089969       0.00121746      -0.00276418       0.00000000
Se      -0.00170228       3.95351040      17.96574408        1       0.00000000       0.00353981      -0.00008191       0.00492152       0.00000000
Se      -1.71148032      -0.98802570      14.47775056        1       0.00000000      -0.00262039       0.00157838       0.00621475       0.00000000
Nb       0.00017146      -0.00003950      12.73607256        2       0.00000000      -0.00187169       0.00059065       0.00076819       0.00000000
Nb      -1.71216117       2.96548576      12.73659326        2       0.00000000      -0.00062455      -0.00243573      -0.00087177       0.00000000
Nb      -3.42251576       0.00033780      12.73631193        2       0.00000000      -0.00212338       0.00097408       0.00045563       0.00000000