4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=13749.321039775463 stress="-1593.1534115919724 -161.966316598955 429.13168271140495 -161.966316598955 -2293.903405990726 770.576893621711 429.13168271140495 770.576893621711 -2831.8829637237027" pbc="T T T" Sg -0.26895330 0.26882849 -0.04102974 18074.91209070 -24258.50923638 7632.37817972 Sg 1.35130323 1.37190426 0.18387326 -10058.30990014 6117.29769063 -7928.59263455 Sg 1.63159842 -0.16491507 1.20057713 -15488.31023445 -6349.52094393 19837.76462811 Sg -0.21647038 1.21468875 1.61131207 7471.70804389 24490.73248969 -19541.55017328