864 Lattice="25.7534775298907 0.0 0.0 25.7534775298907 31.54143952523216 0.0 0.0 0.0 118.95021747561098" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1415.4054021153402 stress="-0.00011474265223817629 -2.8221671230528585e-07 -5.362298980981547e-07 -2.8221671230528585e-07 0.0003572591714107256 -7.652736672269323e-07 -5.362298980981547e-07 -7.652736672269323e-07 -1.6006225752177558e-07" free_energy=-1415.4054021153402 pbc="T T F" Sr 0.00207377 -0.34612030 29.17246113 -0.00000589 -0.00000705 -0.00000151 Sr 6.44041183 3.60051909 30.45823740 -0.00000570 -0.00000695 -0.00000148 Sr 4.29432003 -0.34612030 29.17246113 -0.00000590 -0.00000705 -0.00000151 Sr 10.73265808 3.60051910 30.45823740 -0.00000567 -0.00000699 -0.00000152 Sr 30.04761131 27.77963957 31.86186742 -0.00000456 -0.00000695 -0.00000140 Sr 10.73255264 -0.05346413 33.22264491 -0.00000495 -0.00000682 -0.00000134 Sr 34.33985757 27.77963956 31.86186741 -0.00000458 -0.00000693 -0.00000136 Sr 15.02479889 -0.05346414 33.22264490 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0.00000419 0.00000647 0.00000131 Sr 21.46180030 10.54135148 81.65642479 0.00000506 0.00000664 0.00000107 Sr 27.90018058 14.09434390 83.12307764 0.00000473 0.00000659 0.00000133 Sr 25.75404658 10.54135141 81.65642464 0.00000490 0.00000697 0.00000179 Sr 32.19242676 14.09434390 83.12307763 0.00000508 0.00000661 0.00000137 Sr 25.75399491 7.00026688 84.37723790 0.00000524 0.00000690 0.00000156 Sr 32.19232931 10.57906754 85.35455009 0.00000592 0.00000697 0.00000152 Sr 30.04624112 7.00026696 84.37723796 0.00000549 0.00000653 0.00000124 Sr 10.73109816 10.57906753 85.35455008 0.00000533 0.00000702 0.00000157 Sr 6.43877821 4.62778714 87.55371803 0.00000618 0.00000699 0.00000141 Sr 12.87716001 8.75893103 88.74653154 0.00000608 0.00000697 0.00000159 Sr 10.73102446 4.62778715 87.55371802 0.00000617 0.00000698 0.00000145 Sr 17.16940626 8.75893103 88.74653156 0.00000608 0.00000699 0.00000150