864 Lattice="25.809974781834324 0.0 0.0 25.809974781834327 31.61063424479784 0.0 0.0 0.0 119.21116710455598" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1399.2719788873412 stress="-0.00010837288552797924 -3.2350429016299164e-07 -6.287037118235855e-07 -3.2350429016299164e-07 0.0003599347077393113 -7.292725599315985e-07 -6.287037118235855e-07 -7.292725599315985e-07 -1.5029875534239885e-07" free_energy=-1399.2719788873412 pbc="T T F" Sr 0.00219434 -0.32325629 29.26290344 -0.00000686 -0.00000679 -0.00000147 Sr 6.45465545 3.62547663 30.54826674 -0.00000659 -0.00000667 -0.00000146 Sr 4.30385681 -0.32325629 29.26290344 -0.00000685 -0.00000679 -0.00000146 Sr 10.75631791 3.62547663 30.54826674 -0.00000656 -0.00000665 -0.00000144 Sr 30.11364130 27.85451440 31.94440042 -0.00000542 -0.00000664 -0.00000140 Sr 10.75620766 -0.04218982 33.31108330 -0.00000577 -0.00000643 -0.00000123 Sr 34.41530377 27.85451440 31.94440042 -0.00000545 -0.00000664 -0.00000140 Sr 15.05787013 -0.04218982 33.31108331 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10.55706977 81.82366594 0.00000599 0.00000616 0.00000235 Sr 27.96127317 14.11539420 83.29391103 0.00000583 0.00000628 0.00000149 Sr 25.81043185 10.55706977 81.82366596 0.00000576 0.00000615 0.00000227 Sr 32.26293565 14.11539421 83.29391105 0.00000574 0.00000622 0.00000143 Sr 25.81037458 7.00552177 84.54627992 0.00000628 0.00000673 0.00000105 Sr 32.26282862 10.58968597 85.52244932 0.00000660 0.00000681 0.00000108 Sr 30.11203703 7.00552177 84.54627992 0.00000634 0.00000673 0.00000104 Sr 10.75451629 10.58968597 85.52244931 0.00000664 0.00000682 0.00000114 Sr 6.45276979 4.62758218 87.72174035 0.00000727 0.00000667 0.00000141 Sr 12.90527720 8.76229726 88.91295252 0.00000710 0.00000670 0.00000155 Sr 10.75443226 4.62758218 87.72174035 0.00000727 0.00000667 0.00000142 Sr 17.20693966 8.76229726 88.91295252 0.00000711 0.00000670 0.00000156