4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=672.8323028736181 stress="-2591.0558654239453 -291.1522707242208 1083.700119746381 -291.1522707242208 -2311.235565261346 253.02389058368067 1083.700119746381 253.02389058368067 -3446.4597893968707" pbc="F F F" Ca -0.14829944 0.00761154 0.09652176 -867.62388939 -690.04415511 -455.24524017 Ca 1.26607067 1.39689354 0.15725740 1409.01480050 1119.37024131 -1834.02154728 Ca 1.58858408 -0.25679528 1.28098494 638.95263268 -848.49181116 397.43967227 Ca 0.28513272 1.27624490 1.72832922 -1180.34354378 419.16572496 1891.82711518