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=90.78378333347578 stress="-3.310373892870611 -0.23921793784930578 0.07725973330401235 -0.23921793784930578 -6.323574840482656 0.22261576736392244 0.07725973330401235 0.22261576736392244 -3.264873580849917" pbc="F T F" Ca 0.05473499 -0.12063495 0.13661615 -39.38411829 1.48883045 -36.52648820 Ca 1.40480033 1.28303047 0.11041876 32.40145068 2.16327870 -33.35644043 Ca 1.26735611 -0.16466555 1.24148635 38.44849041 3.09244846 34.50133584 Ca 0.08611608 1.53369179 1.52598936 -31.46582280 -6.74455761 35.38159279