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=23796.574112897815 pbc="T F F" Lu 0.09373285 0.08071105 0.03366596 71 -15787.94015736 -47763.18347079 -38565.87258504 Lu 1.41754495 1.44482536 0.09152837 71 33277.31241049 31247.67057093 -25444.69156901 Lu 1.72562483 -0.11468983 1.66931038 71 -6735.27171954 -23393.70220203 11094.82614339 Lu 0.17994485 1.20574452 1.51478461 71 -10754.10053360 39909.21510189 52915.73801065