108 Lattice="17.601613304416333 0.0 0.0 0.0 17.601613304416333 0.0 0.0 0.0 17.601613304416333" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-114.17297449149903 pbc="F F F" Ca 0.00628715 0.05762386 -0.04453743 20 -0.09859599 -0.08864796 -0.09225190 Ca 2.92480256 2.92548412 0.02516161 20 0.21373267 0.16092225 -0.18406201 Ca 2.89720810 0.02153417 2.88811282 20 0.26136402 -0.22877306 0.17050804 Ca 0.05436888 2.88440856 2.95063150 20 -0.23162521 0.28011600 0.14560776 Ca 5.88813377 0.00627679 -0.02708291 20 0.02957077 -0.06743079 -0.05760719 Ca 8.82591987 2.97969762 -0.00488059 20 -0.03542739 0.10389481 -0.11078601 Ca 8.86311248 0.05340986 2.93174502 20 -0.08632982 -0.14171343 0.09455622 Ca 5.90402604 2.94527435 2.97226870 20 0.00363117 0.23206339 0.14096953 Ca 11.74891286 -0.04289674 -0.03204325 20 -0.15993368 -0.11292023 -0.13796732 Ca 14.64175401 2.90087529 0.01073026 20 0.14928816 0.15349026 -0.18902752 Ca 14.65839779 -0.01577528 2.87729519 20 0.14300627 -0.11123764 0.21445954 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