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=132.5869404100404 stress="-0.001423709949428124 7.056905507627338e-05 -9.886817177101279e-06 7.056905507627338e-05 -0.0017033263757536656 -6.192766820909155e-05 -9.886817177101279e-06 -6.192766820909155e-05 -0.0017765562238539717" free_energy=132.5869404100404 pbc="F F F" Cu 34.63500902 35.15637799 35.07205604 -3.77881014 -2.66996927 -3.46160906 Cu 35.91494384 36.04991022 36.20003913 3.56068304 3.19177683 2.29476818 Cu 37.94279145 36.73516653 34.71939539 -0.13759860 -1.05800818 0.31484971 Cu 39.23859191 38.00349822 36.09996750 0.41532418 0.70278111 -0.10833005 Cu 37.34377992 35.72424229 37.85785777 -28.86803023 6.72562765 -41.27253565 Cu 38.18269970 35.54881695 39.04781191 29.94138521 -6.75694151 40.82365188 Cu 35.75486020 37.91538179 37.78978138 -29.90424931 -28.45100476 -32.55457056 Cu 36.59228789 38.70352703 38.69543348 30.20992042 25.10044919 35.09577995 Cu 39.77138923 34.66932786 34.64170515 0.05362525 1.57473323 0.77861923 Cu 41.17820914 36.34181841 36.41369732 -6.88812768 3.72890820 -1.68582958 Cu 42.05717084 37.08724806 34.68406731 1.01300879 1.21966503 -1.57451147 Cu 43.67198796 38.59994625 36.18621563 -0.83284510 -0.69131374 -0.10943807 Cu 42.43823005 35.22217931 37.25097292 4.91937333 -4.62735372 3.23512029 Cu 43.43149516 36.43186856 38.97269634 132.72971166 -105.47695116 -94.42097788 Cu 40.04369595 37.39645428 38.19723574 -4.66464812 -9.28539825 -3.53192483 Cu 40.79383404 38.84474789 39.00900551 10.37548830 1.07217206 0.97684569 Cu 35.54481381 40.46482139 35.07834798 0.16469623 -0.42208391 0.42874235 Cu 36.89270031 41.67038608 36.76828079 2.95990126 35.39920367 -23.85790372 Cu 36.87126471 42.38869929 34.86362623 0.31428222 1.38060912 -3.20649578 Cu 39.12956837 43.89801360 36.98558102 -0.82808882 24.50983775 -22.64460379 Cu 36.87743493 40.47539683 37.67106092 0.16755909 -35.15339340 23.61316207 Cu 39.21733754 41.86080764 39.56532050 -1.68561796 -4.94343036 9.56953464 Cu 34.72502544 41.87945350 36.85096646 -1.04627580 0.13669861 0.36397846 Cu 36.60179751 43.52539185 38.94231940 -1.05246207 15.74380221 -3.78141322 Cu 39.42267440 40.54007419 34.80276850 -3.32743614 -0.87924522 -0.49452981 Cu 41.26950815 41.03867446 35.56468487 2.35639490 -0.22435570 1.79790792 Cu 42.46585211 42.89786233 35.17371864 -4.53801858 -8.76747341 -7.26832728 Cu 43.14538872 44.18399638 36.19076137 4.86529266 8.89234057 7.90164238 Cu 42.16595625 39.77449303 37.50671069 0.40629843 0.68670529 -0.49544570 Cu 43.79070639 42.08477541 38.21443429 0.94176221 -1.24655636 -6.11183397 Cu 39.15688369 42.74217378 38.04170990 -0.64021235 -18.12446679 9.73157847 Cu 40.90876415 43.36648839 39.57993469 2.98157794 0.47766852 -0.89952167 Cu 34.72165839 34.95877131 40.34288509 1.07117614 0.99011814 0.05538496 Cu 36.26359912 36.83822382 41.19714631 -72.97757038 -5.83705108 31.80396170 Cu 37.50555681 36.90890163 40.62915055 72.84503935 3.34492539 -34.52642575 Cu 38.32528170 38.36154010 41.92880204 1.91718048 1.02341880 0.97199562 Cu 38.31420103 34.87940616 42.94927442 -3.04378025 -12.35840101 -12.27734697 Cu 38.62182190 36.14165374 44.06196801 3.21066976 13.72393353 10.73013502 Cu 35.15605603 37.87796168 42.65940182 -1.00803090 1.48602801 1.16352263 Cu 36.60078406 38.99238917 44.13894163 -17.40703380 -25.64655482 31.22651177 Cu 40.11178058 34.82459526 40.10909284 0.33752438 -0.22641438 0.12342484 Cu 41.02841774 36.68037883 41.05517807 68.58111073 -60.77281423 -118.89007442 Cu 42.61806500 37.08062665 39.55310611 -132.19692808 106.43406239 93.62417197 Cu 43.61459443 39.30725519 41.66125254 8.52193860 -5.21266567 -2.43694731 Cu 42.46756647 34.69294446 42.21160554 -8.61098157 -5.41955580 -5.57762224 Cu 43.75428532 35.65947224 43.02306212 7.67274377 6.32165959 4.71125433 Cu 40.46209557 37.18270701 42.03756462 -69.80130469 59.27292958 119.04286088 Cu 40.99353275 38.96381653 43.14980199 -3.40075275 -2.09601916 4.29037816 Cu 35.30765239 40.18260870 40.45718749 -59.75159115 -58.84903379 -35.29818247 Cu 36.19452641 41.04637803 40.98287224 59.13884868 55.10051074 40.52265328 Cu 36.77806891 41.84312186 39.30305771 3.56305764 -11.89063326 -0.07031849 Cu 38.96194141 43.56787204 40.64468076 -13.49523807 7.84601640 -8.86683206 Cu 37.21089879 39.86214152 43.07527147 16.28359443 26.66323416 -31.03541242 Cu 39.19445140 41.07376723 43.30487272 1.15937143 0.19637443 -0.79231747 Cu 34.98229915 42.26503186 42.47092004 -14.69483363 -24.79155274 -12.60779817 Cu 35.69979544 43.51068977 43.12363306 14.59892201 24.63835885 12.79451724 Cu 39.72517215 40.04474705 39.88205662 -4.74691967 -0.20492552 6.72156292 Cu 41.61822078 40.88264827 41.28283765 -95.06515128 152.63476219 -170.31999425 Cu 43.26459406 42.50692219 40.04236726 -49.79085086 -65.65624110 -12.60568688 Cu 44.03790907 43.58549355 40.34342774 47.40759200 66.36812895 18.44651533 Cu 42.05723056 40.17789546 42.07217752 89.11426233 -142.46528024 169.31935339 Cu 43.36875148 41.71784841 44.07953900 -1.33180360 -0.01864397 -1.11565044 Cu 40.12234132 43.10881044 41.84668733 11.35768844 -5.17026702 12.08009513 Cu 41.30250134 43.47100454 43.97642617 0.35818630 -1.19344065 -0.65406897