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=36.601417678345804 stress="-1583.6710250000751 61.039026645095646 -229.47605164515846 61.039026645095646 -1357.839481257696 -20.713109642539507 -229.47605164515846 -20.713109642539507 -1410.3697860452273" pbc="F F F" Ca -0.14459490 0.11115480 0.11044915 -618.65545339 -510.74671006 -648.23830154 Ca 1.70960170 1.31143450 -0.16166483 455.82623591 315.94567863 -298.07818235 Ca 1.28829595 -0.16490224 1.64041416 497.33705015 -418.37112082 566.36102202 Ca -0.22187219 1.51878885 1.32834452 -334.50783268 613.17215225 379.95546187