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:Z:I:1:forces:R:3 energy=18753.646750785098 pbc="F T F" Lu 0.18466818 0.04277698 0.08473952 71 -39275.40068117 -25642.95438582 -30015.55952092 Lu 1.43660554 1.44196619 -0.22503537 71 23194.46541656 4713.10301396 -22294.22888773 Lu 1.77065598 -0.23297343 1.21021724 71 22998.00609519 4294.04168441 24963.25114745 Lu 0.03300088 1.03974748 1.69898092 71 -6917.07083058 16635.80968745 27346.53726120