64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=556.501882449 pbc="F F F" Ca 0.22086729 -0.01689004 -0.22903346 20 -17.50164264 -9.68419253 -21.49063202 Ca 1.15142137 0.46613003 0.98055861 20 8.59542212 -1.68885319 20.58367383 Ca 2.14715992 2.22516294 0.46095830 20 -2.25708204 0.26967551 -5.81354948 Ca 3.38021302 3.78131475 0.57106187 20 6.19473922 7.44854446 -7.38895913 Ca 2.51079372 0.29792246 3.33728409 20 -20.86135559 -20.24503011 -3.48652762 Ca 3.85840215 1.07349581 3.45018589 20 22.51451243 7.77760681 -0.02988414 Ca -0.23115740 3.20444678 3.02575960 20 -12.89353813 -5.70265417 -9.30233612 Ca 1.34647782 4.07636534 4.25675693 20 5.91831864 9.60924976 -7.59440005 Ca 5.05873752 0.10223056 0.25284888 20 -5.47136322 -4.91741248 -5.65325942 Ca 6.57116719 1.00454661 1.78983070 20 1.78981493 -3.62566536 2.19999761 Ca 7.51432400 1.93324962 -0.30384491 20 -0.08269244 -2.71039736 -9.65340587 Ca 8.67982227 3.56376137 0.86736005 20 7.98752866 1.61767358 0.21437083 Ca 8.25689929 0.04556025 3.33577043 20 -1.68769342 -21.05688560 -5.13761650 Ca 8.94092265 1.65775521 3.91455633 20 20.02886420 12.27796764 -6.80417937 Ca 5.12809830 2.93866256 2.42744752 20 -10.33761951 -0.60079119 -21.91536924 Ca 5.92663375 3.21407994 3.77269330 20 14.19017154 5.70418468 20.51965759 Ca -0.28561470 5.36150737 0.14218700 20 -21.02064516 -7.71650184 -18.56860893 Ca 0.83966317 5.75635164 1.24085714 20 11.04007716 3.66517974 18.85501964 Ca 2.21155159 6.92639677 -0.23259487 20 4.21996840 3.09127475 -10.10812449 Ca 3.15063207 8.32327578 1.72246494 20 -9.13767694 13.92491509 -2.05595866 Ca 2.63238158 4.49256655 2.80775205 20 1.07292455 0.09410720 -9.34568722 Ca 4.18297782 5.79320854 3.39174556 20 3.61951585 -1.09224104 0.39567982 Ca 0.11336984 8.22332352 2.63598921 20 -12.45228112 -2.98694238 -16.69930982 Ca 0.93114464 8.66349090 4.11824152 20 7.20854994 10.76586986 14.07601107 Ca 5.72071477 5.01747273 -0.05159492 20 -4.61191184 -4.85916390 -12.77575666 Ca 6.75269328 6.12475624 1.39495150 20 -15.33534094 13.60763119 -15.72062611 Ca 7.59634052 7.97130329 0.46577408 20 -22.42978603 0.18077829 -15.81897330 Ca 8.97271432 8.46171569 1.01065347 20 27.69935693 11.13073952 9.96840988 Ca 7.58087455 5.43096051 2.35935114 20 8.80647975 -18.31615262 17.08261764 Ca 8.97769358 5.74507761 3.54532507 20 15.80698751 2.36406546 12.43278558 Ca 4.66448343 7.23761401 2.11226018 20 9.51604340 4.04026629 -5.87931309 Ca 5.97624116 8.31914392 4.31938092 20 -30.04275170 7.30254942 -13.47463159 Ca -0.18643662 0.02979695 4.64687243 20 -11.58783577 -9.57014348 -8.62596293 Ca 0.93325827 1.09305905 5.87301830 20 -3.54834741 3.94002965 3.58586496 Ca 2.00297454 2.50750419 4.62151619 20 10.25994605 -13.35720017 2.39238465 Ca 3.50089017 3.77871453 6.34725891 20 -2.68940893 -15.47952749 6.90727948 Ca 1.91735306 0.17049102 7.36669775 20 4.04903805 -10.41708461 9.21551792 Ca 4.01169085 1.16978129 8.58475277 20 -16.04571702 -11.56879711 16.58161736 Ca 0.23710347 2.57017884 7.93084891 20 -9.29637257 -3.41495001 2.92884338 Ca 1.65608716 4.23649076 8.54655608 20 -22.11806967 -19.29742771 35.15843026 Ca 4.86303500 0.18273192 5.63123922 20 -9.39160435 -9.10482161 -4.78816493 Ca 6.65555922 1.00831489 6.52475732 20 -17.36250262 25.56674332 -7.78969464 Ca 7.60631657 1.89207603 5.31421401 20 -1.82751080 6.12944098 -6.72998654 Ca 8.60556472 3.49425818 6.03735392 20 9.67100098 10.15744784 5.56586504 Ca 7.20384740 -0.05265516 7.03810700 20 20.89761550 -46.57735757 17.59766935 Ca 8.20409281 0.97845578 9.00814638 20 5.10035756 2.23791804 8.13343619 Ca 5.20986548 2.00409575 7.78540731 20 7.92971696 13.53446314 -4.50785555 Ca 5.94042883 4.00576363 8.80462855 20 3.59500517 1.31317312 6.55173526 Ca 0.20920087 4.67054093 5.24968051 20 -25.41737213 5.35189069 15.85387491 Ca 0.88625304 6.68546431 5.77580420 20 -0.23567857 0.49633405 -2.91855884 Ca 3.25650983 7.16272899 5.25575148 20 -15.14927556 -29.11509615 -20.70679599 Ca 3.63834321 8.28337470 5.87827378 20 4.35193331 45.04987258 15.60487838 Ca 2.36102597 4.94186987 7.71469832 20 17.44853348 27.67507518 -20.41148371 Ca 4.41216746 6.20622827 8.78505241 20 -4.59485181 -2.32573377 18.18539944 Ca -0.18700569 7.67897335 7.32271401 20 -14.16065383 2.54252132 4.39298053 Ca 1.64289762 8.37312824 8.37563583 20 6.43902701 4.98668576 7.26949959 Ca 4.50493887 4.72649649 5.28235295 20 12.66881984 2.00000569 -5.00672469 Ca 5.89974943 6.54297544 6.40600750 20 27.63219889 -18.22747430 -29.26021101 Ca 7.34497277 8.28794862 4.71375535 20 35.33611963 2.20420843 5.20429915 Ca 8.91609134 8.82709812 6.74953070 20 4.32899135 2.07215767 2.48082459 Ca 7.51989586 5.67016232 7.02045641 20 12.36556160 -6.05251632 0.44959005 Ca 8.82327501 6.08609331 9.08965562 20 3.69300976 0.59375947 5.40388012 Ca 5.04337408 7.11536967 7.13716159 20 -23.78486222 23.68503328 25.67434320 Ca 6.10846303 9.06242240 8.58349260 20 1.35729362 5.30197460 3.99611037