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=1284.9658343775038 pbc="T T F" Kr 0.20996341 0.10662489 0.15300231 36 -3293.32026328 215.73119254 -2891.46771445 Kr 1.53848316 1.49028240 -0.08147842 36 540.23141517 95.36252925 -808.86592163 Kr 1.45789336 -0.11174318 1.27041603 36 3724.71973977 695.99763507 2969.77838291 Kr 0.19178619 1.67895518 1.79140871 36 -971.63089166 -1007.09135685 730.55525318