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=58.74301136477796 stress="-1962.1443566363405 -70.35721355193738 302.15106430736364 -70.35721355193738 -1799.127526489368 221.76104147873548 302.15106430736364 221.76104147873548 -1503.7297594712397" pbc="F F F" Ca 0.19178619 0.17895518 0.29140871 -573.32798975 -654.55796275 -614.55193718 Ca 1.61455359 1.53253581 0.14904689 713.84775390 774.25147539 -574.57029053 Ca 1.28091226 0.10609294 1.46603997 604.97139956 -730.47503917 660.43670297 Ca -0.19401975 1.32157598 1.51361598 -745.49116371 610.78152652 528.68552475