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=2133.790490145204 stress="-355.5363195373325 116.59155563922435 -107.70091875232211 116.59155563922435 -299.04269421475647 -54.724565521902136 -107.70091875232211 -54.724565521902136 -304.7464801175709" free_energy=2133.790490145204 pbc="T T T"
Kr      -0.14459490       0.11115480      -0.01275680    3571.67954558   -3893.31291866    -241.94744893
Kr       1.70960170       1.31143450       0.04092907   -6116.39645532    3660.23528696   -2362.35417685
Kr       1.35333724       0.05786860       1.64041416    -370.96742303    -726.48058901    -655.77315977
Kr      -0.22187219       1.51878885       1.32834452    2915.68433277     959.55822071    3260.07478555