28
Lattice="9.289735 0.018455 -0.002415 -3.232026 8.827392 -0.018016 -1.792991 -1.133115 9.185831" Properties=species:S:1:pos:R:3:forces:R:3 energy=-128.89053235112408 stress="-0.00783752586584061 1.1694262139404003e-05 -4.446279998597779e-06 1.1694262139404003e-05 -0.008025457305022302 -4.8709345279361496e-05 -4.446279998597779e-06 -4.8709345279361496e-05 -0.00794961901461775" dipole="0.0006044392030592239 -0.0006837612747195347 0.0001887078228409359" pbc="T T T"
P        0.49699000       3.01503000       0.31261000       0.03965774      -0.04044350      -0.13108652
P        3.63675000       7.84673000       1.71545000       0.09528465      -0.09023567      -0.01666005
P       -2.39130000       7.08805000       2.59225000      -0.11569778      -0.03689995      -0.07214731
P        4.46449000       4.65134000       2.73104000       0.06438900       0.13679467      -0.06615479
P       -0.19977000       3.06139000       6.43436000      -0.06433922      -0.13658281       0.06612732
P        6.65602000       0.62469000       6.57316000       0.11555385       0.03688301       0.07201943
P        0.62796000      -0.13401000       7.44995000      -0.09540536       0.09066392       0.01673946
P        3.76772000       4.69771000       8.85279000      -0.03948974       0.04026465       0.13104749
S        2.01182000       1.53706000       0.27174000       0.03376170      -0.03279493       0.06311595
S       -1.97830000       6.56057000       0.58524000       0.07450964       0.00373336      -0.04201888
S        4.90133000       4.12317000       0.73059000      -0.00485527      -0.09592264      -0.04068720
S        5.52190000       0.38652000       1.77955000      -0.14594614       0.15441663       0.01000429
S        0.12412000       3.49914000       2.13524000      -0.04295103       0.05693074       0.19608693
S        8.62960000      -0.22998000       2.63321000       0.00301728       0.07207360       0.03220386
S        2.95539000       6.13771000       2.76564000      -0.07286015      -0.01744519       0.04753874
S       -0.78956000       7.78657000       3.39031000       0.17038943       0.06616879       0.08223909
S        6.21446000       5.40832000       3.65531000       0.04381054      -0.03404985       0.06807929
S        3.87636000       3.08372000       3.67505000      -0.05256068      -0.16875146       0.09976347
S        0.38836000       4.62902000       5.49035000       0.05248871       0.16857147      -0.09965129
S       -1.94975000       2.30442000       5.51010000      -0.04376345       0.03406305      -0.06809346
S        5.05429000      -0.07384000       5.77508000      -0.17034394      -0.06613146      -0.08218505
S        1.30933000       1.57503000       6.39977000       0.07281175       0.01733776      -0.04753698
S       -4.36489000       7.94272000       6.53219000      -0.00300920      -0.07215788      -0.03223320
S        4.14060000       4.21359000       7.03016000       0.04290904      -0.05688803      -0.19597319
S       -1.25719000       7.32622000       7.38585000       0.14619982      -0.15470521      -0.01003380
S       -0.63661000       3.58956000       8.43482000       0.00486808       0.09598724       0.04058147
S        6.24301000       1.15217000       8.58016000      -0.07452842      -0.00374842       0.04207548
S        2.25290000       6.17567000       8.89366000      -0.03390129       0.03286826      -0.06316071