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=3776.7563923744983 stress="-632.2838555478719 277.8484407525283 136.0527404753701 277.8484407525283 -551.8807099004431 91.81389273747442 136.0527404753701 91.81389273747442 -504.5829490825173" free_energy=3776.7563923744983 pbc="F T T"
Kr       0.23171545       0.18190327      -0.17816502   -4958.33881632   -3930.06762707    6657.68743255
Kr       1.62780321       1.32965408       0.00710170    2034.79041372    2288.08362740     813.33603269
Kr       1.28220450       0.28278197       1.56210000   12639.72162813   -9172.41626555   -4824.86327736
Kr       0.13362859       1.32702941       1.57034430   -9716.17322554   10814.40026522   -2646.16018788