20
Lattice="3.860269 0.0 0.0 6.784918621520275e-16 11.080613 0.0 6.784918621520275e-16 6.784918621520275e-16 11.080613" Properties=species:S:1:pos:R:3:forces:R:3 energy=-117.82100269964421 stress="0.014267153581647507 3.0500958662488033e-12 3.0500958662488033e-12 3.0500958662488033e-12 -0.00016100259002446135 -1.698363616259647e-07 3.0500958662488033e-12 -1.698363616259647e-07 -0.00016100259002446135" pbc="T T T"
Cl       0.00000000       9.92264000       1.15797000      -0.00001422       0.10466483      -0.10462008
Cl       0.00000000       3.68961000       1.16341000      -0.00000988      -0.25543982       0.04435483
Cl       0.00000000       1.16341000       3.68961000      -0.00000988       0.04435483      -0.25543982
Cl       0.00000000       9.91721000       7.39101000      -0.00000988      -0.04436309       0.25531902
Cl       0.00000000       7.39101000       9.91721000      -0.00000988       0.25531902      -0.04436309
Cl       0.00000000       1.15797000       9.92264000      -0.00001422      -0.10462008       0.10466483
Cl       1.93013000       6.70371000       1.85070000       0.00000988       0.04436209       0.25531579
Cl       1.93013000       9.22991000       4.37690000       0.00000988      -0.25530885      -0.04435927
Cl       1.93013000       4.38234000       4.38234000       0.00001422       0.10461626       0.10461626
Cl       1.93013000       6.69828000       6.69828000       0.00001422      -0.10466067      -0.10466067
Cl       1.93013000       1.85070000       6.70371000       0.00000988       0.25531579       0.04436209
Cl       1.93013000       4.37690000       9.22991000       0.00000988      -0.04435927      -0.25530885
Nb       0.00000000       1.40845000       1.40845000       0.00003172      -0.03951768      -0.03951768
Nb       0.00000000       9.67216000       9.67216000       0.00003172       0.03963619       0.03963619
Nb       1.93013000       6.94876000       4.13185000      -0.00003171      -0.03966138       0.03969781
Nb       1.93013000       4.13185000       6.94876000      -0.00003171       0.03969781      -0.03966138
O        0.00000000       6.80889000       4.27172000      -0.00000051       0.08676086      -0.08675779
O        0.00000000       4.27172000       6.80889000      -0.00000051      -0.08675779       0.08676086
O        1.93013000       1.26859000       1.26859000       0.00000065       0.08671246       0.08671246
O        1.93013000       9.81203000       9.81203000       0.00000065      -0.08675148      -0.08675148