256 Lattice="23.253665924072266 0.0 0.0 0.0 23.253665924072266 0.0 0.0 0.0 23.253665924072266" Properties=species:S:1:pos:R:3:forces:R:3 energy=-295.52498255258615 stress="-0.0005281345360321641 -2.2849826336433288e-05 1.8963921335207923e-05 -2.2849826336433288e-05 -0.0005191312477633807 2.3685450856690734e-05 1.8963921335207923e-05 2.3685450856690734e-05 -0.0005347149110929758" free_energy=-295.52498255258615 pbc="F F F" Ca 0.03812339 0.03327482 0.03063490 -0.13898469 -0.15042548 -0.13471528 Ca 2.87125208 2.89427747 0.00547733 0.28449944 0.17013481 -0.22519747 Ca 2.85461378 0.01317563 2.95816601 0.30382287 -0.24353583 0.08286521 Ca 0.03022903 2.89168033 2.89468028 -0.28870614 0.20505591 0.18527732 Ca 5.78393296 0.00528724 0.05019440 -0.04936166 -0.16401649 -0.15066226 Ca 8.68141109 2.85038587 0.00280388 0.03231066 0.29324596 -0.21344295 Ca 8.69353171 0.01481111 2.86723972 0.02710165 -0.22315981 0.27739194 Ca 5.86913105 2.92696957 2.93005805 -0.08274289 0.19172874 0.19097499 Ca 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