612 Lattice="25.809974781834324 0.0 0.0 12.904987390917164 22.35209383210425 0.0 0.0 0.0 119.41795159145852" Properties=species:S:1:pos:R:3:forces:R:3 energy=-991.1740151414117 stress="-0.0005323886144467064 -2.067912555522642e-07 -2.5865722647501953e-07 -2.067912555522642e-07 -0.00053084894769615 -9.622033299065628e-07 -2.5865722647501953e-07 -9.622033299065628e-07 -7.107544329853394e-10" free_energy=-991.1740151414117 pbc="T T F" Sr 0.00440254 0.00562766 29.58626335 -0.00000254 -0.00000926 0.00000000 Sr 6.45689595 3.73097540 29.58626817 -0.00000250 -0.00000912 -0.00000046 Sr 4.30606523 0.00562746 29.58626669 -0.00000251 -0.00000921 -0.00000030 Sr 2.15523371 3.73097582 29.58626507 -0.00000249 -0.00000913 -0.00000015 Sr 17.21102514 19.87405492 33.31687869 -0.00000228 -0.00000858 -0.00000010 Sr 10.75853113 1.24731010 33.31688461 -0.00000229 -0.00000860 -0.00000064 Sr 21.51268753 19.87405463 33.31688267 -0.00000248 -0.00000861 -0.00000051 Sr 6.45686862 1.24730998 33.31688302 -0.00000240 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