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=105.09097995358962 stress="-171.01146715415868 14.300369354377729 8.761187192221037 14.300369354377729 -162.78335607126846 -4.274436367383766 8.761187192221037 -4.274436367383766 -120.73371992617639" pbc="T T F" Ca 0.06504129 -0.29134056 0.22277084 158.30223132 199.19625286 -1064.02805532 Ca 1.64359035 1.68362810 0.19581920 -23.32065624 -264.11025131 -1272.37055711 Ca 1.64685009 0.26959405 1.67626233 -357.50061882 140.59430907 1411.17695620 Ca -0.14597521 1.62848498 1.49207130 222.51904374 -75.68031062 925.22165623