32 Lattice="11.144302368164062 0.0 0.0 0.0 11.144302368164062 0.0 0.0 0.0 11.144302368164062" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.237970702846244 stress="-25.885263111615828 1.2691091126935943 -0.03248237631928319 1.2691091126935943 -25.546242479186283 -0.8473970088072988 -0.03248237631928319 -0.8473970088072988 -26.39274360939879" pbc="F F F" Ca -0.12049575 0.09262900 0.09204096 -0.18076214 -0.31576396 -0.35628587 Ca 2.98882017 2.62893768 -0.13472070 -0.22217861 0.67088850 -0.24525820 Ca 2.60965555 -0.13741853 2.92474519 0.24188312 -0.32347658 0.09805759 Ca -0.18489349 2.80173297 2.64302936 -0.32387526 0.18976508 0.25322078 Ca 5.23889331 -0.03420984 0.16882826 0.39426212 -0.65786014 -0.24235037 Ca 8.41242785 2.54329179 -0.11208157 0.18202170 0.24174828 -0.30768011 Ca 8.18158194 0.18564236 2.94094540 0.76586239 -0.96022414 -0.80951557 Ca 5.72517460 2.94925826 2.87824597 -0.87749166 -0.07565243 -0.00014103 Ca 0.22466171 5.71903646 -0.12164601 -0.48227765 -0.49831904 -0.69076742 Ca 2.88257462 8.35161952 0.12750193 0.15783184 0.63149901 -0.65153258 Ca 2.61447586 5.53694001 2.71817690 0.81430760 -0.63306341 0.12980016 Ca -0.03508886 8.26510746 2.59475562 -0.48342331 0.79679373 0.25594409 Ca 5.73197301 5.72128050 0.24284059 -0.50477932 -0.62731041 -1.16340748 Ca 8.45368810 8.38533996 0.12420575 0.29144507 0.41113595 -0.25749119 Ca 8.17565366 5.66056197 2.75777557 1.21959490 -0.48693669 0.26081652 Ca 5.41046806 8.20954009 2.79742224 -0.01098166 1.01007890 0.38580922 Ca -0.12334412 -0.02027049 5.62490057 -0.61615946 -0.37845042 -0.31241221 Ca 2.73395428 2.60146607 5.56757975 0.40268059 0.67461585 -0.14126123 Ca 2.65379909 -0.13216084 8.20546125 0.49071709 -0.45444076 0.40893453 Ca -0.06678005 2.57271348 8.43384266 -0.29039884 0.54065119 0.27978528 Ca 5.79898421 -0.05515562 5.43307945 -0.80261372 -0.48709772 0.48984406 Ca 8.57471568 2.55767986 5.39302397 0.57637769 0.96550444 0.49305357 Ca 8.51127441 0.16907269 8.42775453 0.22756977 -0.28118189 0.23846665 Ca 5.65098643 2.74282104 8.54234754 -0.43935146 0.19568139 0.11062574 Ca 0.19309621 5.72373724 5.23443843 -0.77283449 -0.50966627 0.61983967 Ca 2.96290270 8.29560490 5.68040673 -0.16390613 0.81532614 -0.53199071 Ca 2.60457934 5.80780283 8.40997678 0.38939538 -1.26180522 0.43041899 Ca 0.11135716 8.21408462 8.41684702 -0.67941345 0.57702093 0.17713404 Ca 5.61258846 5.61776368 5.50182675 -0.51211219 -0.69491857 0.09309592 Ca 8.47207356 8.27889372 5.37056528 0.30282967 0.61607094 0.05360852 Ca 8.19046849 5.66416682 8.16435686 0.67662755 -0.37440206 0.42008177 Ca 5.43492989 8.14279874 8.42999018 0.22915286 0.68378938 0.51155685