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=-0.750024887673206 stress="0.061753216598216705 -0.0005915032494524242 0.0002459789172598201 -0.0005915032494524242 0.06479549352206532 -0.009134444687377946 0.0002459789172598201 -0.009134444687377946 0.045814816857888914" pbc="T T F" user15 -0.28522060 -0.22042585 0.05034373 -0.12539116 -0.15292625 0.44477334 user15 1.38521537 1.31388724 0.18948064 0.15183150 -0.01117129 0.34975606 user15 1.34858589 0.13033329 1.74922132 0.09066008 -0.04479536 -0.35660615 user15 -0.23800294 1.79574882 1.60274780 -0.11710043 0.20889289 -0.43792325