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=6455.081566607586 stress="-810.6972589866955 234.7467731248402 -189.6436250254616 234.7467731248402 -1077.0220233876967 -342.96220826571994 -189.6436250254616 -342.96220826571994 -996.3889566291758" pbc="F T F" Xe 0.11041876 -0.03194186 0.08611608 -9783.98520000 -1142.45946699 -12424.87862782 Xe 1.53369179 1.52598936 0.29874826 6089.17662809 -6792.53979799 -9773.16497909 Xe 1.27290972 -0.11909813 1.36136659 11044.89828878 3081.45860647 16620.05962526 Xe 0.05835534 1.24645637 1.48193431 -7350.08971688 4853.54065851 5577.98398165