256 Lattice="23.185977935791016 0.0 0.0 0.0 23.185977935791016 0.0 0.0 0.0 23.185977935791016" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.14072861380856 stress="-0.0005452674412167592 -2.268966075498556e-05 -2.3150216616968178e-05 -2.268966075498556e-05 -0.0005255877213002883 5.305071973645628e-05 -2.3150216616968178e-05 5.305071973645628e-05 -0.0005478618181758132" free_energy=-310.14072861380856 pbc="F F F" Ca 0.03801243 0.03317797 0.03054574 -0.14489138 -0.15695712 -0.14058365 Ca 2.86289428 2.88585266 0.00546139 0.30338550 0.19151119 -0.23656720 Ca 2.84630441 0.01313728 2.94955524 0.30333923 -0.22607338 0.10355911 Ca 0.03014105 2.88326307 2.88625429 -0.27633009 0.21161578 0.21427879 Ca 5.76709678 0.00527185 0.05004831 -0.04627612 -0.17144700 -0.15788902 Ca 8.65614078 2.84208880 0.00279572 0.08279193 0.28071977 -0.21372954 Ca 8.66822611 0.01476800 2.85889359 0.04027819 -0.23276346 0.27678042 Ca 5.85204689 2.91844960 2.92152909 -0.10468314 0.19831297 0.19690343 Ca 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