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=1587.7203165258554 stress="-200.14724442599527 58.04374030159992 -46.937380663742225 58.04374030159992 -265.7188452939306 -84.80779654390763 -46.937380663742225 -84.80779654390763 -246.11251265486712" free_energy=1587.7203165258554 pbc="F T F"
Kr       0.11041876      -0.03194186       0.08611608   -2416.70853300    -282.18067831   -3069.17735086
Kr       1.53369179       1.52598936       0.29874826    1501.87359843   -1680.11159986   -2414.02240138
Kr       1.27290972      -0.11909813       1.36136659    2728.59653470     762.61730820    4107.34710898
Kr       0.05835534       1.24645637       1.48193431   -1813.76160013    1199.67496996    1375.85264326