32 Lattice="78.01011657714844 0.0 0.0 0.0 78.01011657714844 0.0 0.0 0.0 78.01011657714844" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.237970702846244 stress="-5.452551836380149e-05 2.6732906647098567e-06 -6.84218815493371e-08 2.6732906647098567e-06 -5.381139482410471e-05 -1.7849832534412171e-06 -6.84218815493371e-08 -1.7849832534412171e-06 -5.559449097118119e-05" free_energy=-20.237970702846244 pbc="F F F" Ca 38.88456253 39.09768729 39.09709925 -0.18076214 -0.31576396 -0.35628587 Ca 41.99387846 41.63399597 38.87033759 -0.22217861 0.67088850 -0.24525820 Ca 41.61471384 38.86763976 41.92980348 0.24188312 -0.32347658 0.09805759 Ca 38.82016480 41.80679126 41.64808765 -0.32387526 0.18976508 0.25322078 Ca 44.24395160 38.97084845 39.17388654 0.39426212 -0.65786014 -0.24235037 Ca 47.41748614 41.54835008 38.89297672 0.18202170 0.24174828 -0.30768011 Ca 47.18664023 39.19070065 41.94600369 0.76586239 -0.96022414 -0.80951557 Ca 44.73023289 41.95431655 41.88330426 -0.87749166 -0.07565243 -0.00014103 Ca 39.22972000 44.72409475 38.88341228 -0.48227765 -0.49831904 -0.69076742 Ca 41.88763291 47.35667781 39.13256021 0.15783184 0.63149901 -0.65153258 Ca 41.61953414 44.54199830 41.72323519 0.81430760 -0.63306341 0.12980016 Ca 38.96996942 47.27016575 41.59981391 -0.48342331 0.79679373 0.25594409 Ca 44.73703129 44.72633879 39.24789888 -0.50477932 -0.62731041 -1.16340748 Ca 47.45874639 47.39039824 39.12926403 0.29144507 0.41113595 -0.25749119 Ca 47.18071195 44.66562026 41.76283386 1.21959490 -0.48693669 0.26081652 Ca 44.41552635 47.21459838 41.80248053 -0.01098166 1.01007890 0.38580922 Ca 38.88171417 38.98478780 44.62995886 -0.61615946 -0.37845042 -0.31241221 Ca 41.73901257 41.60652436 44.57263804 0.40268059 0.67461585 -0.14126123 Ca 41.65885738 38.87289745 47.21051954 0.49071709 -0.45444076 0.40893453 Ca 38.93827824 41.57777177 47.43890095 -0.29039884 0.54065119 0.27978528 Ca 44.80404249 38.94990267 44.43813774 -0.80261372 -0.48709772 0.48984406 Ca 47.57977397 41.56273815 44.39808225 0.57637769 0.96550444 0.49305357 Ca 47.51633270 39.17413098 47.43281282 0.22756977 -0.28118189 0.23846665 Ca 44.65604472 41.74787933 47.54740583 -0.43935146 0.19568139 0.11062574 Ca 39.19815450 44.72879553 44.23949672 -0.77283449 -0.50966627 0.61983967 Ca 41.96796099 47.30066319 44.68546502 -0.16390613 0.81532614 -0.53199071 Ca 41.60963763 44.81286112 47.41503507 0.38939538 -1.26180522 0.43041899 Ca 39.11641545 47.21914291 47.42190531 -0.67941345 0.57702093 0.17713404 Ca 44.61764675 44.62282196 44.50688504 -0.51211219 -0.69491857 0.09309592 Ca 47.47713185 47.28395201 44.37562357 0.30282967 0.61607094 0.05360852 Ca 47.19552678 44.66922511 47.16941515 0.67662755 -0.37440206 0.42008177 Ca 44.43998818 47.14785703 47.43504847 0.22915286 0.68378938 0.51155685