4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=288.3820860116766 stress="-1319.0060274182792 103.73881424093607 1409.943107644133 103.73881424093607 -17.021414382707565 -111.16391482066179 1409.943107644133 -111.16391482066179 -1493.4956484398692" pbc="T F F" user01 -0.08013605 -0.03508962 0.09073906 2929.53571872 -304.91543455 -3165.32920666 user01 0.84403460 0.89600579 0.26123585 221.41913694 48.70977520 -182.17601624 user01 1.00978669 0.00870710 0.53504734 -2928.05866311 307.49262970 3173.52213120 user01 0.24575717 0.77991664 0.74904399 -222.89619255 -51.28697034 173.98309170