256 Lattice="11.334513027639392 0.0 0.0 0.0 11.334513027639392 0.0 0.0 0.0 11.334513027639392" Properties=species:S:1:pos:R:3:forces:R:3 energy=93644.27634186509 stress="-261.2909362719906 1.1355638111998867 -0.09737481497937066 1.1355638111998867 -260.3654424469237 -2.3317091872998508 -0.09737481497937066 -2.3317091872998508 -261.81597276737483" free_energy=93644.27634186509 pbc="F F F" Kr 0.01564125 0.02724315 0.01931836 -709.74708877 -744.35829593 -728.03215104 Kr 1.40499128 1.44276812 0.05325643 351.95094439 -648.01305424 -1839.98226586 Kr 1.41092918 0.02004401 1.43003637 308.01465909 -1483.13599120 -156.46100741 Kr 0.01489057 1.46960254 1.37360998 -1734.02549664 -746.96031015 691.82691945 Kr 2.87762270 0.05195571 0.04847018 -366.06057789 -1262.93529079 -1345.96443698 Kr 4.31710436 1.36980223 0.04628488 -235.57583085 531.02607632 -1803.61128825 Kr 4.23819831 0.03588257 1.42596309 425.49759180 -1629.59934924 185.34782076 Kr 2.87113458 1.42430204 1.37992345 -208.18766443 194.90115508 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