28
Lattice="11.255856 0.0 0.0 0.0 10.138548 0.0 0.0 0.0 6.641814" Properties=species:S:1:pos:R:3:forces:R:3 energy=-138.72705114931574 stress="-0.006102014502028469 1.7631573135468248e-07 6.587188344150895e-07 1.7631573135468248e-07 -0.006398927597755005 -4.3679294781805244e-12 6.587188344150895e-07 -4.3679294781805244e-12 -0.007811870568336299" dipole="4.752387234456761e-05 -0.00018504726134005537 0.00013435371308056324" pbc="T T T"
P        6.47595000       2.53464000       0.69239000       0.08678208      -0.00002436       0.07236435
P        7.52773000       7.60391000       1.15228000       0.06204575       0.00000034       0.13473573
P       10.46303000       1.40477000       1.57451000       0.03693279      -0.06382340      -0.10455219
P       10.46303000       3.66450000       1.57451000       0.03690893       0.06384854      -0.10458520
P        4.83511000       1.40477000       1.74640000       0.03685202      -0.06384219       0.10448192
P        4.83511000       3.66450000       1.74640000       0.03682815       0.06386734       0.10451493
P        1.89981000       7.60391000       2.16862000       0.06195501       0.00000034      -0.13464953
P        0.84802000       2.53464000       2.62852000       0.08678699      -0.00002436      -0.07250261
P       10.40784000       7.60391000       4.01329000      -0.08685196       0.00001990       0.07244000
P        9.35606000       2.53464000       4.47319000      -0.06217998      -0.00005640       0.13464556
P        6.42075000       6.47405000       4.89542000      -0.03691389      -0.06384966      -0.10461542
P        6.42075000       8.73378000       4.89542000      -0.03694946       0.06379730      -0.10459879
P        0.79282000       6.47405000       5.06730000      -0.03681983      -0.06390820       0.10455777
P        0.79282000       8.73378000       5.06730000      -0.03685541       0.06385584       0.10454114
P        3.72812000       2.53464000       5.48953000      -0.06202738      -0.00005640      -0.13462217
P        4.77990000       7.60391000       5.94942000      -0.08669816       0.00001990      -0.07226459
S        3.49399000       0.91884000       0.19957000      -0.07505601      -0.10010646      -0.01065461
S        3.49399000       4.15043000       0.19957000      -0.07507918       0.10017169      -0.01061157
S        5.41213000       7.60391000       1.31227000      -0.04699679       0.00000059       0.12623059
S       11.04005000       7.60391000       2.00864000      -0.04677539       0.00000059      -0.12639861
S        9.12191000       0.91884000       3.12133000      -0.07502162      -0.10005757       0.01076325
S        9.12191000       4.15043000       3.12133000      -0.07504479       0.10012279       0.01072021
S        2.13395000       5.98812000       3.52048000       0.07500180      -0.10012160      -0.01067237
S        2.13395000       9.21970000       3.52048000       0.07502632       0.10014705      -0.01070572
S        0.21580000       2.53464000       4.63317000       0.04696326      -0.00000351       0.12639620
S        5.84372000       2.53464000       5.32955000       0.04701986      -0.00000351      -0.12637323
S        7.76187000       5.98812000       6.44224000       0.07507164      -0.10018518       0.01068767
S        7.76187000       9.21970000       6.44224000       0.07509616       0.10021063       0.01072102