256 Lattice="23.17044932530962 0.0 0.0 0.0 23.17044932530962 0.0 0.0 0.0 23.17044932530962" Properties=species:S:1:pos:R:3:forces:R:3 energy=-312.80415140151547 stress="-0.0004501069564118434 -2.7383204235332104e-06 5.543778019199093e-06 -2.7383204235332104e-06 -0.00047458628437691794 -5.309736730072184e-05 5.543778019199093e-06 -5.309736730072184e-05 -0.0004308099614337339" free_energy=-312.80415140151547 pbc="F F F" Ca 0.03101190 0.04157746 0.00654692 -0.14113805 -0.08339315 -0.11828095 Ca 2.91721184 2.92095704 0.02066263 0.11749051 0.17361156 -0.27637597 Ca 2.85075225 0.05708607 2.85040882 0.21253426 -0.30897222 0.24261656 Ca 0.04674377 2.94627659 2.94968109 -0.34175176 0.12533332 0.08271931 Ca 5.76193042 0.03048422 0.03057152 0.07752591 -0.14976270 -0.18195577 Ca 8.77366598 2.91725824 0.00828655 -0.11984862 0.19725586 -0.13476719 Ca 8.68419833 0.04073655 2.89975142 -0.04447408 -0.21112044 0.18404153 Ca 5.76389308 2.84593334 2.94866060 0.16535161 0.34631934 0.16689935 Ca 11.57788218 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