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=1587.7286041633147 stress="-200.14724653318402 58.04374153735376 -46.937380534039086 58.04374153735376 -265.71916882311393 -84.80779843574679 -46.937380534039086 -84.80779843574679 -246.11251451249632" free_energy=1587.7286041633147 pbc="F T F"
Kr       0.11041876      -0.03194186       0.08611608   -2416.70855388    -282.18069405   -3069.17737528
Kr       1.53369179       1.52598936       0.29874826    1501.87362436   -1680.11162481   -2414.02241668
Kr       1.27290972      -0.11909813       1.36136659    2728.59655094     762.61731172    4107.34712572
Kr       0.05835534       1.24645637       1.48193431   -1813.76162143    1199.67500714    1375.85266623