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:Z:I:1:forces:R:3 energy=139.700523272 pbc="T F T" Sr 0.19724111 -0.03787426 -0.00548572 38 -15.19014338 -45.08439691 -2.45952019 Sr 1.34126820 1.34140700 -0.18331863 38 16.97341207 43.99662593 4.64262085 Sr 1.41986395 -0.05314731 1.38659309 38 13.78046477 -44.73110956 1.82719217 Sr 0.22029417 1.43381326 1.45316417 38 -15.56373346 45.81888054 -4.01029283