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=140.324837828 pbc="T F T" Sr 0.19724111 -0.03787426 -0.00548572 38 -15.19069712 -45.08647606 -2.45864383 Sr 1.34126820 1.34140700 -0.18331863 38 16.97412622 43.99871699 4.64104063 Sr 1.41986395 -0.05314731 1.38659309 38 13.78108878 -44.73326871 1.82751275 Sr 0.22029417 1.43381326 1.45316417 38 -15.56451788 45.82102779 -4.00990955