32 Lattice="12.031380676263268 0.0 0.0 0.0 12.031380676263268 0.0 0.0 0.0 12.031380676263268" Properties=species:S:1:pos:R:3:forces:R:3 energy=-24.802267441015676 stress="-0.0003699276543917371 -1.7036967625548915e-06 4.28620472770767e-05 -1.7036967625548915e-06 -0.00038482121590947404 -2.476635547935114e-05 4.28620472770767e-05 -2.476635547935114e-05 -0.00042659871348727326" free_energy=-24.802267441015676 pbc="F F F" Ca 0.00287853 0.02959445 0.05406969 -0.03949092 -0.02759542 -0.04356963 Ca 3.01960980 3.00582726 0.02937062 0.11534744 0.10592401 -0.11690603 Ca 3.00888949 0.01023506 2.96213728 0.17201212 -0.07288600 0.19257032 Ca 0.04657402 3.02884708 2.99303426 -0.08513493 0.11291301 0.14343572 Ca 6.06743140 0.04582177 0.00029437 -0.11509926 -0.02925266 -0.05802821 Ca 9.07644433 3.05189831 0.05658257 0.01807976 0.10030355 -0.07161607 Ca 9.02354968 0.01378244 2.95038838 0.04119364 -0.02690752 0.16041152 Ca 5.97614815 3.06186050 3.05140876 -0.10559185 0.07323339 0.13461246 Ca 0.02706093 6.02447662 0.02042150 -0.07817535 -0.09266984 -0.06322872 Ca 2.95840749 9.03624660 0.05803362 0.11973000 0.08472178 -0.09388750 Ca 3.02159590 6.03091730 2.95027339 0.14041398 -0.16185357 0.24720141 Ca 0.03274930 9.05478893 3.04364815 -0.08924120 0.04797176 0.08200021 Ca 5.96277861 6.01995250 0.02201865 -0.04004714 -0.10407982 -0.09401635 Ca 9.05395888 9.00615339 0.04125855 0.01433246 -0.00175760 -0.02666883 Ca 9.04195390 5.98727848 3.00530055 0.03168672 -0.07183419 0.13971032 Ca 6.03219846 9.06617429 2.96277074 -0.11306806 0.03689804 0.16375336 Ca 0.01105708 0.01543384 5.99108209 -0.04486138 -0.06329836 -0.09777851 Ca 2.97905880 2.99992105 6.06918047 0.19841944 0.16025438 -0.21819818 Ca 3.04735237 0.01572611 9.02346550 0.08724270 -0.07439804 0.05339411 Ca 0.01506333 2.95329909 9.03343301 -0.05988206 0.14118375 0.05547016 Ca 6.07360353 0.03887298 6.05412969 -0.17496303 -0.08257455 -0.21504734 Ca 9.02965144 3.04630548 6.04187903 0.08703226 0.09747993 -0.17229009 Ca 8.97135766 0.05844329 9.02460211 0.07691460 -0.05485590 0.05418060 Ca 6.05785005 2.99512950 9.00830983 -0.17502621 0.19967171 0.09869935 Ca 0.03999716 6.00459180 5.97185603 -0.08522511 -0.11514232 -0.05998356 Ca 3.00483179 8.97511462 5.98339363 0.14697195 0.09845662 -0.08608465 Ca 3.01509307 6.04362188 9.02875423 0.11406909 -0.16891938 0.07679406 Ca 0.03895731 9.00597697 9.07494186 -0.01591179 0.00893863 -0.01557720 Ca 5.97696533 6.00462495 6.00822119 -0.10551956 -0.11714844 -0.14455055 Ca 9.02011973 8.99538554 6.00348384 0.03302437 0.03681974 -0.09942644 Ca 9.06416237 6.01686235 9.02974856 0.02212686 -0.08281464 0.04279778 Ca 6.02719363 9.01572509 9.02673224 -0.09135955 0.04321794 0.03182649