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=2094.428042856587 stress="-382.8264022393728 18.21576481077542 -117.06127131497293 18.21576481077542 -247.14146938268877 -24.24499994344557 -117.06127131497293 -24.24499994344557 -339.8582989248304" pbc="T T T" Ca 0.07584840 -0.22854460 -0.00685672 -2340.89219355 1068.24906072 -1982.90557393 Ca 1.41662460 1.44120585 -0.22868067 2707.05217189 -1053.15212745 1016.02817455 Ca 1.46867400 -0.12179854 1.12929569 2181.72909192 561.34239643 2396.14837425 Ca 0.18274392 1.38793363 1.46525698 -2547.88907025 -576.43932970 -1429.27097488