256 Lattice="23.185982908903142 0.0 0.0 0.0 23.185982908903142 0.0 0.0 0.0 23.185982908903142" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.4096647452394 stress="-0.00047783390528221236 6.442539462704376e-05 3.3655538586765615e-05 6.442539462704376e-05 -0.00047032399703921625 -2.9591922997177165e-06 3.3655538586765615e-05 -2.9591922997177165e-06 -0.0005007697678001431" free_energy=-310.4096647452394 pbc="F F F" Ca 0.01603738 0.02953075 0.03580404 -0.13800728 -0.13357227 -0.17857603 Ca 2.88651039 2.95418193 0.03681376 0.18830068 0.11105173 -0.29381634 Ca 2.86070251 0.02320137 2.84950854 0.30921117 -0.26459531 0.22708500 Ca 0.04293098 2.85053700 2.87994881 -0.29938764 0.29236528 0.22440160 Ca 5.80254414 0.03470424 0.01117024 -0.01355960 -0.16289359 -0.18395894 Ca 8.74717273 2.85832666 0.02105874 -0.03620868 0.27292125 -0.23660214 Ca 8.67300546 0.05612825 2.89658216 -0.01332969 -0.26860111 0.19854701 Ca 5.80842875 2.90226636 2.86843698 -0.00831265 0.23434736 0.36978302 Ca 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