32 Lattice="14.008239481344699 0.0 0.0 0.0 14.008239481344699 0.0 0.0 0.0 14.008239481344699" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.725065597402228 stress="-0.0002857378059815127 -3.862527583836252e-05 -0.00010473735478048346 -3.862527583836252e-05 -0.0003040722764395986 -3.068891704805192e-05 -0.00010473735478048346 -3.068891704805192e-05 -0.00032234690219342727" free_energy=-21.725065597402228 pbc="F F F" Ba 0.01693698 0.09089816 0.06524458 -0.00569716 -0.01921420 -0.02709947 Ba 3.56612611 3.56293218 0.02894093 0.03888266 0.05294159 -0.06904545 Ba 3.54540135 0.02481616 3.51761423 0.09283053 -0.09404658 0.05990511 Ba 0.06316518 3.44159125 3.56871622 -0.08463756 0.15304539 0.05449045 Ba 7.03588216 0.01630033 0.01321573 -0.09756138 -0.04812395 -0.05666895 Ba 10.53098916 3.46400886 0.00146786 0.03076270 0.11809116 -0.02582018 Ba 10.47399391 0.05477281 3.47339042 0.04926902 -0.06907953 0.09419398 Ba 6.95093117 3.47675368 3.49652480 -0.04678316 0.17673389 0.12190074 Ba 0.01190265 7.02781909 0.06906087 -0.03003836 -0.09034784 -0.03858604 Ba 3.55917686 10.55387655 0.00544222 0.05270726 0.01226097 -0.03606162 Ba 3.48622326 6.96768533 3.54031653 0.15401626 -0.09071769 0.08576167 Ba 0.05689243 10.49482862 3.51652028 -0.04918707 0.06403037 0.05851760 Ba 6.99027237 6.95650982 0.00708660 -0.06331574 -0.08362322 -0.04291051 Ba 10.44915116 10.44529700 0.06746690 0.03425997 0.03666082 -0.05307914 Ba 10.57420958 7.07178742 3.52580258 0.02156235 -0.17291325 0.08041714 Ba 6.99923938 10.43970382 3.44639120 -0.10669219 0.04936120 0.14007342 Ba 0.06524573 0.03247848 6.97579458 -0.07007580 -0.06892671 -0.05510785 Ba 3.51450814 3.49266615 6.93637318 0.13031315 0.15381807 -0.05708534 Ba 3.43788699 0.06331794 10.46911543 0.09369807 -0.05703067 0.05718019 Ba 0.04897675 3.57052523 10.46763908 -0.06580719 0.06321454 0.03132133 Ba 6.99556348 0.02849589 7.02390673 -0.08586049 -0.09266963 -0.10208507 Ba 10.46297403 3.47916539 6.94195131 0.07371170 0.11984970 -0.07556890 Ba 10.54148949 0.03840501 10.48062393 0.01658076 -0.01258157 0.01097617 Ba 6.99477443 3.44995107 10.43718897 -0.08907838 0.12677450 0.08382825 Ba 0.05708117 7.05813102 6.98980002 -0.08234038 -0.12674255 -0.09023182 Ba 3.53337713 10.46950308 6.94893808 0.11397949 0.06818094 -0.05380918 Ba 3.49111183 6.98819869 10.49565281 0.12516141 -0.08738517 0.04531291 Ba 0.01704317 10.47846034 10.49700334 -0.00413495 0.02074483 0.01000631 Ba 7.03491373 6.96586380 7.03751027 -0.11753491 -0.08423815 -0.13961259 Ba 10.50159696 10.54901441 6.94131663 0.01073794 0.02683544 -0.02567906 Ba 10.55595843 6.97692627 10.55111904 0.01064554 -0.06195786 0.00052813 Ba 6.97005039 10.51043186 10.53360721 -0.05037411 0.01705517 0.01403776