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=559.699520184 pbc="F F F" Ca 0.22086729 -0.01689004 -0.22903346 20 -17.50482346 -9.68758364 -21.49468707 Ca 1.15142137 0.46613003 0.98055861 20 8.59388325 -1.69048355 20.58296060 Ca 2.14715992 2.22516294 0.46095830 20 -2.25866417 0.26804980 -5.81565313 Ca 3.38021302 3.78131475 0.57106187 20 6.19473922 7.44854446 -7.38895913 Ca 2.51079372 0.29792246 3.33728409 20 -20.86206958 -20.24598084 -3.48690798 Ca 3.85840215 1.07349581 3.45018589 20 22.51451243 7.77760681 -0.02988414 Ca -0.23115740 3.20444678 3.02575960 20 -12.89536385 -5.70349604 -9.30332775 Ca 1.34647782 4.07636534 4.25675693 20 5.91831864 9.60924976 -7.59440005 Ca 5.05873752 0.10223056 0.25284888 20 -5.47152581 -4.92011552 -5.65599231 Ca 6.57116719 1.00454661 1.78983070 20 1.78981493 -3.62566536 2.19999761 Ca 7.51432400 1.93324962 -0.30384491 20 -0.08199164 -2.71153448 -9.65487077 Ca 8.67982227 3.56376137 0.86736005 20 7.98883397 1.61691854 0.21318990 Ca 8.25689929 0.04556025 3.33577043 20 -1.68543270 -21.05934949 -5.13818235 Ca 8.94092265 1.65775521 3.91455633 20 20.02967522 12.27743265 -6.80448218 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 -21.02297849 -7.71659920 -18.57095868 Ca 0.83966317 5.75635164 1.24085714 20 11.03867260 3.66547766 18.85360188 Ca 2.21155159 6.92639677 -0.23259487 20 4.21864341 3.09230031 -10.11004482 Ca 3.15063207 8.32327578 1.72246494 20 -9.13810265 13.92553383 -2.05657242 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 -12.45368305 -2.98548439 -16.69987241 Ca 0.93114464 8.66349090 4.11824152 20 7.20728852 10.76728915 14.07572522 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 -22.42807155 0.18286892 -15.82106432 Ca 8.97271432 8.46171569 1.01065347 20 27.70398035 11.13415819 9.96561316 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 -11.59069558 -9.57306216 -8.62627845 Ca 0.93325827 1.09305905 5.87301830 20 -3.54974111 3.93870362 3.58604326 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 4.04764586 -10.41884063 9.21621947 Ca 4.01169085 1.16978129 8.58475277 20 -16.04650125 -11.57012332 16.58311424 Ca 0.23710347 2.57017884 7.93084891 20 -9.29713609 -3.41549375 2.92955578 Ca 1.65608716 4.23649076 8.54655608 20 -22.11880100 -19.29785005 35.15918351 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 20.89925283 -46.57911562 17.59931779 Ca 8.20409281 0.97845578 9.00814638 20 5.10284464 2.23590126 8.13608262 Ca 5.20986548 2.00409575 7.78540731 20 7.92971696 13.53446314 -4.50785555 Ca 5.94042883 4.00576363 8.80462855 20 3.59552713 1.31354022 6.55255965 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 -4.59455998 -2.32530046 18.18602708 Ca -0.18700569 7.67897335 7.32271401 20 -14.16432891 2.54448228 4.39555250 Ca 1.64289762 8.37312824 8.37563583 20 6.43755380 4.98881920 7.27177027 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 35.33736332 2.20559896 5.20457560 Ca 8.91609134 8.82709812 6.74953070 20 4.33439817 2.07766009 2.48341718 Ca 7.51989586 5.67016232 7.02045641 20 12.36605794 -6.05212959 0.45008303 Ca 8.82327501 6.08609331 9.08965562 20 3.69756014 0.59562436 5.40870772 Ca 5.04337408 7.11536967 7.13716159 20 -23.78438417 23.68574029 25.67507340 Ca 6.10846303 9.06242240 8.58349260 20 1.35899353 5.30509849 3.99960322