256 Lattice="23.25366232343542 0.0 0.0 0.0 23.25366232343542 0.0 0.0 0.0 23.25366232343542" Properties=species:S:1:pos:R:3:forces:R:3 energy=-295.96715138417085 stress="-0.0005135960601324145 -5.669062351056653e-05 2.5560639530138962e-05 -5.669062351056653e-05 -0.0005200615951545591 8.712524762780783e-05 2.5560639530138962e-05 8.712524762780783e-05 -0.000518823723131017" free_energy=-295.96715138417085 pbc="F F F" Ca 0.03321756 0.01133200 0.00185765 -0.10579884 -0.08478932 -0.08768158 Ca 2.92619725 2.90018241 0.02837306 0.07544082 0.17705113 -0.26563334 Ca 2.92774015 0.03929832 2.88918541 0.17433939 -0.24094891 0.23585733 Ca 0.02644966 2.91738206 2.94983345 -0.22222096 0.14547181 0.08624780 Ca 5.80174671 0.05265164 0.00423519 0.08258678 -0.19230602 -0.16161939 Ca 8.71892717 2.94829590 0.03761106 0.04318754 0.15027020 -0.19159616 Ca 8.75946681 0.00815060 2.95383251 -0.09770384 -0.19143427 0.11418168 Ca 5.80794637 2.91219142 2.85805663 0.05998611 0.18610332 0.41096792 Ca 11.59758893 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