3 Lattice="2.688529 -2.688529 0.0 -2.688529 0.0 -2.688529 2.688529 2.688529 0.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.325621439760802 stress="-0.04008661185778983 -1.5554196056009133e-19 -0.003817240511920216 -1.5554196056009133e-19 -0.03807806142609577 7.777098028004566e-20 -0.003817240511920216 7.777098028004566e-20 -0.04008661185778983" dipole="-4.083098421521945e-05 4.6064863679395597e-07 -2.2667871818692405e-06" pbc="T T T" Ca 0.00000000 0.00000000 0.00000000 -0.00002543 0.00000000 0.00002543 F 1.34426000 -1.34426000 -1.34426000 0.00001329 0.01974251 -0.00001329 F 1.34426000 1.34426000 -1.34426000 0.00001329 -0.01974251 -0.00001329