256 Lattice="26.881420135498047 0.0 0.0 0.0 26.881420135498047 0.0 0.0 0.0 26.881420135498047" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.88155895308483 stress="-0.00024242909516187033 -6.794344260993165e-06 -1.8161730098767163e-05 -6.794344260993165e-06 -0.00022969036916423746 1.9144204813494024e-05 -1.8161730098767163e-05 1.9144204813494024e-05 -0.00025406343021539836" free_energy=-272.88155895308483 pbc="F F F" Ba 0.04407095 0.03846596 0.03541420 -0.11299377 -0.12129894 -0.10962757 Ba 3.31918992 3.34580745 0.00633184 0.21334962 0.12777291 -0.18889282 Ba 3.29995590 0.01523114 3.41966311 0.22675333 -0.20353858 0.06653504 Ba 0.03494500 3.34280513 3.34627309 -0.23567053 0.16083805 0.15040037 Ba 6.68627185 0.00611209 0.05802513 -0.03692714 -0.13364064 -0.12792699 Ba 10.03577929 3.29506840 0.00324131 0.06544296 0.18944270 -0.16401914 Ba 10.03327028 0.01712176 3.31455159 0.05815118 -0.17406312 0.20435787 Ba 6.78476152 3.38359977 3.38717008 -0.03358744 0.17152510 0.18595121 Ba 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