256 Lattice="23.25366392524772 0.0 0.0 0.0 23.25366392524772 0.0 0.0 0.0 23.25366392524772" Properties=species:S:1:pos:R:3:forces:R:3 energy=-296.02313180593603 stress="-0.00038289359362881514 -3.22830044685547e-05 -3.222369051007984e-05 -3.22830044685547e-05 -0.000369266239436683 8.551411678647572e-06 -3.222369051007984e-05 8.551411678647572e-06 -0.00036376181254045673" free_energy=-296.02313180593603 pbc="F F F" Ca 0.03596948 0.03426334 0.03343000 -0.12801625 -0.13085184 -0.13998638 Ca 2.93475442 2.88680934 0.04927577 0.11693901 0.21902166 -0.26782252 Ca 2.89160726 0.05305046 2.90867359 0.15908921 -0.31106988 0.18759653 Ca 0.00825783 2.89289092 2.90032298 -0.26148858 0.23827145 0.20959341 Ca 5.80397641 0.02055013 0.01411232 0.07535308 -0.17983155 -0.13068049 Ca 8.75106731 2.90604851 0.03195995 -0.08014778 0.16559932 -0.18870137 Ca 8.80242457 0.05311368 2.96404356 -0.11338617 -0.19896319 0.10845093 Ca 5.82229989 2.87336114 2.89287998 0.08210976 0.31265729 0.21155676 Ca 11.63370058 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