12
Lattice="0.0 -3.442043 0.0 -7.052684 1.721021 0.039828 0.340188 0.0 -9.368721" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.19949559027322 stress="0.009310293999928016 -5.1548085549198004e-05 -0.00027148379922562556 -5.1548085549198004e-05 0.0079958075376967 1.1336457887208438e-05 -0.00027148379922562556 1.1336457887208438e-05 0.00946645518862777" dipole="-4.557371627477842e-06 6.385077162506057e-05 3.5045290279450834e-05" pbc="T T T"
Nb      -3.00927000      -0.00000000      -1.15659000      -0.00844242      -0.00011464       0.03871930
Nb      -5.70863000       0.00000000      -3.28604000      -0.01373210       0.00106956       0.02816662
Nb      -3.30414000      -1.72102000      -3.51593000       0.01264586      -0.00175490       0.01099792
Nb      -1.05059000       0.00000000      -3.73306000      -0.06233142       0.00019246       0.06756052
Nb      -5.66191000      -1.72102000      -5.59583000       0.06233386      -0.00019241      -0.06761931
Nb      -3.40836000       0.00000000      -5.81296000      -0.01262031       0.00175488      -0.01100828
Nb      -1.00387000      -1.72102000      -6.04285000       0.01375655      -0.00106959      -0.02817242
Nb      -3.70322000      -1.72102000      -8.17230000       0.00842372       0.00011462      -0.03872088
Se      -5.02798000      -1.72102000      -1.26815000       0.11957214      -0.00082749      -0.06458574
Se      -0.98943000      -1.72102000      -1.72546000      -0.12098195      -0.00031791      -0.10160346
Se      -5.72306000      -0.00000000      -7.60344000       0.12095784       0.00031791       0.10168227
Se      -1.68451000       0.00000000      -8.06074000      -0.11958179       0.00082750       0.06458336