14
Lattice="10.130403 -0.000315 0.0 -5.065474 8.772915 0.0 0.0 0.0 3.47607" Properties=species:S:1:pos:R:3:forces:R:3 energy=-102.58331504858869 stress="0.005100587644350917 -6.149812251206927e-05 1.4272438946040593e-10 -6.149812251206927e-05 0.004974468076990011 1.3238264996171966e-10 1.4272438946040593e-10 1.3238264996171966e-10 0.003852991566464745" dipole="4.1027082340146344e-05 -9.469707853445616e-10 1.2252956997650813e-10" pbc="T T T"
Nb       4.39480000       0.94936000       0.86902000       0.01339326      -0.07282706      -0.00004438
Nb       7.11054000       3.33078000       0.86902000       0.05877105       0.04933447      -0.00004441
Nb       3.69014000       4.49203000       0.86902000      -0.07223697       0.02575649      -0.00004436
Nb       1.37479000       4.28057000       2.60705000       0.07223697      -0.02575649       0.00004436
Nb      -2.04561000       5.44182000       2.60705000      -0.05877105      -0.04933447       0.00004441
Nb       0.67013000       7.82324000       2.60705000      -0.01339326       0.07282706       0.00004438
Se       6.98792000       0.53195000       0.86902000      -0.16718299      -0.02634267      -0.00002549
Se       2.03191000       2.45535000       0.86902000       0.06039523       0.15538620      -0.00002549
Se       6.17558000       5.78512000       0.86902000       0.10512325      -0.12910643      -0.00002549
Se      -0.00045000       5.84831000       0.86902000       0.00130643       0.00156633      -0.00003731
Se       5.06538000       2.92429000       2.60705000      -0.00130643      -0.00156633       0.00003731
Se      -1.11065000       2.98748000       2.60705000      -0.10512325       0.12910643       0.00002549
Se       3.03302000       6.31725000       2.60705000      -0.06039523      -0.15538620       0.00002549
Se      -1.92299000       8.24065000       2.60705000       0.16718299       0.02634267       0.00002549