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=44.98263982430845 pbc="F T T" P -0.05614082 -0.17720831 0.07847642 15 21.00836713 484.24789056 -509.91875422 P 1.70678852 1.69450202 0.00482954 15 63.46053009 -214.91921755 221.26941415 P 1.31908072 -0.28254501 1.66145986 15 92.64626291 308.83487459 -204.98049901 P -0.15387796 1.75216238 1.31810581 15 -177.11516013 -578.16354761 493.62983908