32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=647.5476386768312 stress="-71.09557935197357 -1.8574674571162528 -1.0111095204975473 -1.8574674571162528 -73.84496662055984 2.8436160083817272 -1.0111095204975473 2.8436160083817272 -74.85163661434875" free_energy=647.5476386768312 pbc="F F F" Ca 0.27559981 0.21736445 0.20384132 -577.30277740 -552.60020063 -528.83130843 Cd 1.29224623 1.23214964 0.00041025 355.44214635 421.23593471 -508.64996929 Ca 1.72042216 0.06482696 1.10880436 5.03952961 -1017.83407367 224.36949849 Ca 0.01821382 1.32838524 1.46963223 -918.05695255 -74.58549212 320.61711165 Cd 3.15586213 0.12036030 0.24843919 286.04504792 -175.23583772 -346.49342037 Cd 4.64432661 1.30553973 0.24849743 169.39747702 54.15042503 -200.88859401 Cd 4.75911890 0.19019325 1.69877714 395.69385394 -268.03670973 -239.33637695 Ca 3.10881314 1.63250256 1.60031152 65.49322257 377.82601639 -600.72583315 Ca 0.05442580 2.85431870 0.13572127 -288.95223164 178.47050134 -632.28576224 Cd 1.50997537 4.23387496 0.08501927 -23.09199917 167.44066689 -367.58073747 Cd 1.69196679 3.00693356 1.66501753 -129.28276320 -205.70475054 -269.39846914 Ca 0.22580078 4.42866320 1.68883157 -574.01807293 795.02692720 -353.45287781 Cd 2.83956583 2.94215157 0.25980354 61.84366330 -75.98225431 -385.69725418 Cd 4.38479888 4.47265905 0.33551721 174.64308385 54.21245058 -135.09820762 Cd 4.50053872 2.87086020 1.60389671 276.85265416 210.06215248 -155.93120936 Ca 2.74663523 4.48702489 1.44857885 493.30547901 613.90946106 -224.41041375 Cd 0.18843096 0.17061300 3.29169807 -227.72982788 -515.42896742 -219.56334077 Ca 1.46863002 1.63735406 3.00702076 421.09565534 -356.12982219 -84.80121173 Cd 1.64982991 0.28095696 4.32464588 310.10644358 -387.16740612 262.12103643 Ca 0.26008946 1.37675974 4.32230465 -837.70736020 -376.60308286 926.32553303 Ca 3.28460712 0.11893942 2.72956938 -128.10066726 -955.22227949 445.78125603 Ca 4.33885520 1.49210442 3.01363209 770.85054643 159.48260570 201.38524565 Cd 4.29639647 0.12528982 4.62033173 82.16616332 -131.36822503 202.80862590 Cd 3.17828948 1.72412281 4.29301824 -156.27653185 -20.01252357 366.29556761 Ca 0.07255377 3.01129231 3.01258782 -1317.92475976 182.38863148 -196.81720515 Ca 1.51539753 4.30454100 3.12365747 52.29067309 975.01916901 312.18916051 Ca 1.45588739 2.95297513 4.34681875 545.53859394 67.22129989 1122.56935517 Cd 0.29076408 4.24395116 4.66143044 -325.92387440 322.31993168 331.67771844 Cd 2.86810690 3.12937675 2.90912010 331.72742872 -80.59808163 70.09230870 Ca 4.59119645 4.29640878 3.21456242 242.26931260 469.17780267 -328.83276677 Ca 4.77913633 3.00067590 4.68492541 222.39957246 -86.06224611 626.92934434 Cd 2.83178173 4.38323780 4.26192411 242.16727103 230.62797704 365.63319623