64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11888.173292822137 stress="-0.05130951353259673 0.11174033608462247 -0.06367034417620542 0.11174033608462247 -0.22621688535356108 0.10000731834033078 -0.06367034417620542 0.10000731834033078 -0.06834203243272867" free_energy=11888.173292822137 pbc="F F F" C 34.97927519 35.50490621 35.12808250 -204.68532164 -38.44090175 -137.61280155 C 36.61261410 35.80961984 36.22937330 209.51650520 52.27366025 131.01170699 C 37.37687226 37.37927586 35.28306799 -45.50347969 -84.51979057 -36.64348349 C 38.14912630 38.83680989 35.90756312 41.36410858 78.31099908 44.70044770 C 37.30307861 35.40175297 37.88931297 255.14043607 2051.46095128 1074.68278199 C 39.17422652 35.74088602 38.45496797 -2.06707346 -2.23008664 4.19293827 C 35.01791813 37.61542591 38.07875168 8.29924418 104.94253248 25.29216568 C 36.55604684 39.07636534 38.99475015 -11978.36641299 27639.85875011 -16212.23711839 C 40.67402892 35.03236465 35.12848085 -86.43467324 -75.69372377 -68.61610680 C 42.00458484 36.19152931 36.19206741 79.99298249 42.08377594 101.98956241 C 42.27330437 37.49354081 35.01341504 -194.39916399 -264.37582648 -111.11609664 C 43.25526876 38.99740367 35.40408991 299.23648917 262.54700337 323.59028308 C 42.52406013 34.93255103 37.95111169 -4.28401099 -0.54655106 -6.70996915 C 43.74220852 36.28919957 38.71611960 -36.33823039 66.04822787 120.98864774 C 39.64773178 37.88775039 37.30935592 -0.02692653 5.77169953 2.23670325 C 40.63672276 38.66095420 38.98131969 5.79334685 8.40539501 -6.25947812 C 35.00089005 40.45458907 34.95802998 -928.91011763 -385.24681276 -897.26895770 C 36.23763398 40.96639241 36.15440911 922.61331892 395.96903767 904.77950288 C 37.18596050 42.17133405 34.69446895 1957.08985822 1450.76508184 2291.94211795 C 38.61643991 43.32327578 36.40123177 -18465.15576208 8811.89922638 -12970.86152746 C 37.84711812 39.82735763 38.00650959 -204.67420477 -135.66820481 169.06844482 C 39.31216351 41.18860889 38.79009744 47.76487173 394.39815584 -445.81119555 C 35.12002029 42.58257178 37.66474806 -23.73595767 -34.75685972 -51.26680809 C 36.31868972 43.29773384 38.99216473 743.55504925 63.64113900 -832.27357785 C 40.37991420 39.90050033 35.07130629 183.61662230 102.57370875 203.99474836 C 41.95732380 40.94655366 36.75674877 -2775.35322035 2247.10151506 -2351.73470639 C 41.84587977 42.58301768 35.24403174 159.82136621 -283.49748417 224.47063070 C 43.80620892 43.33471187 36.68417298 -2.87701045 -1.08140800 -2.14329291 C 42.83586317 40.23061374 37.72902670 2154.18208479 -1618.55814828 1831.63119355 C 43.79926033 41.43984764 38.86396494 -132.43847873 -151.64391150 -155.19106581 C 39.66448343 42.68403127 37.11226018 16554.15020529 -10559.01347097 11509.11629631 C 41.04503652 43.07740179 38.84919877 -343.46242966 -35.34384887 -393.87878777 C 35.33377538 35.47658524 39.35477482 -1015.24426344 -1140.86936690 816.69417212 C 36.34198920 36.09305905 41.24766808 -6999.36648234 22385.91917624 -16524.63134618 C 37.00297454 37.99791377 39.62151619 15209.68158096 -28962.52943847 19923.73809771 C 38.55150311 38.95709492 41.34725891 -2778.41006334 -1855.57226878 -2963.61995481 C 36.74515079 34.94983402 42.04787321 8225.98657518 -19682.74777881 13777.97438398 C 39.36077111 36.02675153 44.02034026 -526.58741264 -431.37233294 -68.79266649 C 34.91431220 38.18577276 42.04152419 109.93918993 -203.74041531 -87.27664840 C 35.94604139 38.88493282 43.58752779 25.82980463 18.50750758 19.18482874 C 39.53950182 35.06673895 40.47517581 -623.11006170 -41.60257487 434.77402944 C 41.48837336 36.00831489 41.43404765 -3734.82107396 6192.12548648 -3516.72356022 C 43.01187985 36.80515926 40.38579376 -2838.90731446 -21002.84665242 -12871.11610431 C 43.14661067 38.00782849 41.13498738 1687.63976786 22889.15114836 14314.35667502 C 42.20384740 34.85081933 42.03810700 4561.98779692 -5049.67219382 4760.46921716 C 43.14946725 36.08061647 43.88486887 -686.71029305 -1035.95588176 -1392.56755436 C 40.14508434 37.40574817 42.92741033 25.36157789 86.76317155 -367.14179690 C 41.20915566 38.44086057 43.72617499 162.55062536 218.45802759 86.00835419 C 34.71959582 39.51001904 39.88116477 158.44804200 -27.78845935 -76.57609152 C 35.74638033 41.49149468 40.38197997 -6.04341303 8.06634825 8.76030757 C 37.82899033 42.09121485 39.54674320 -175.37448298 -375.61573846 898.64894234 C 38.99484589 43.46868501 40.61175572 623.74477220 -598.05101379 760.16180239 C 37.73115886 40.24083262 42.43698486 -133.24803442 -20.23582421 -167.65490066 C 38.82096774 40.36859661 44.00775341 311.54616213 184.56302935 -23.93222010 C 34.68014638 42.93847019 42.79581540 -182.05030889 -45.32234455 -42.25171965 C 36.65738307 43.33191362 43.08117455 197.24695470 31.00954413 22.92234311 C 39.24969535 39.85827087 40.14065134 177.46586897 136.79330620 -8.50477211 C 40.89974943 41.22892384 41.12165250 3302.03781123 -5425.70811246 -5964.43583507 C 42.48439805 42.35281082 39.97277497 -141.75563857 -103.87674413 102.39081607 C 43.59842854 43.58387493 41.94405129 0.28183582 1.02384426 -2.62485051 C 42.03397992 40.02574770 42.54002037 788.20863851 -1999.10390397 -1560.87770577 C 43.32495571 41.00996828 43.88611151 22.54540856 31.72916812 29.72855887 C 40.39757659 42.11536967 42.13716159 -3572.41778851 6354.03727340 5915.26157489 C 41.57503208 43.88223624 43.55805845 -369.87979651 -642.96981662 -516.40957455