612 Lattice="22.755524893905683 0.0 0.0 -11.377762446952842 19.706862634571515 0.0 0.0 0.0 52.64279010708762" Properties=species:S:1:pos:R:3:forces:R:3 energy=-654.8869131725578 stress="-12.333005790684737 0.0067157457758478525 -0.013349255088180348 0.0067157457758478525 -12.388557955690047 -0.05522692420070322 -0.013349255088180348 -0.05522692420070322 -3.4499789602843514e-06" pbc="T T F" Sr 0.00403277 0.00431511 -0.03463495 -0.00000206 -0.00000863 0.00000002 Sr 3.79662027 0.00431511 -0.03463493 -0.00000218 -0.00000874 -0.00000006 Sr 1.90032658 3.28879221 -0.03463496 -0.00000227 -0.00000866 0.00000016 Sr -1.89226094 3.28879221 -0.03463494 -0.00000198 -0.00000859 0.00000001 Sr 3.79661479 2.19394394 3.09528670 -0.00000239 -0.00000805 0.00000005 Sr 7.58920218 2.19394391 3.09528673 -0.00000155 -0.00000801 -0.00000021 Sr 5.69290851 5.47842106 3.09528672 -0.00000200 -0.00000832 -0.00000012 Sr 1.90032102 5.47842113 3.09528673 -0.00000205 -0.00000875 -0.00000020 Sr 7.58919268 4.38355630 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