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=-17.754196770423277 stress="-0.0005772680502457492 -5.783481576747163e-05 -0.0003212055795790539 -5.783481576747163e-05 -0.0006672117793752007 3.835487092230579e-05 -0.0003212055795790539 3.835487092230579e-05 -0.0005566792242075958" free_energy=-17.754196770423277 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.37407197 -0.77222237 -1.14438222 Cu 36.59933616 35.93572417 35.98055861 -5.71789122 -16.20571758 12.23834643 Cu 37.14715992 37.22516294 35.23402360 -1.02475123 6.07746921 -20.17846274 Cu 37.93229823 38.31172061 36.19084223 7.28221552 11.03798572 8.60166657 Cu 37.29465675 35.14771729 38.20399864 -0.88729863 0.40790623 0.26741666 Cu 39.35802973 36.07349581 38.45018589 -1.04916677 -8.82789284 7.25143430 Cu 34.76884260 38.20444678 38.02575960 -0.20348478 -0.62920043 -0.72800516 Cu 36.55604684 39.07636534 38.99475015 -18.16650700 43.64823417 -24.54743037 Cu 40.23975440 35.55577733 35.25284888 -1.68828428 0.28974663 -1.15867356 Cu 41.57116719 36.00454661 36.78983070 -4.11914712 4.36914994 -3.14514337 Cu 42.51432400 36.93324962 34.69615509 -0.53910134 0.23375380 1.00659791 Cu 43.42712388 38.91385061 36.22088890 2.82605260 -5.59716834 -4.55348785 Cu 42.81964364 35.29825864 37.90182602 5.04760855 -3.13079839 5.09383631 Cu 43.94092265 36.79747090 39.26025248 9.66706972 -6.76618987 -9.09492640 Cu 39.61890133 37.43827487 37.40447350 1.69478194 9.05220308 -7.25851664 Cu 41.32868209 38.48931485 38.46659910 0.55057155 -0.32390754 0.53808567 Cu 34.72941635 39.65017747 35.17843495 -1.28682547 -3.55472134 -0.94324690 Cu 35.67994952 41.20201413 35.91957267 -2.69906739 -2.34321401 5.87702887 Cu 36.83832478 42.32454839 35.07964709 5.26550553 4.64853085 -3.30612275 Cu 38.61643991 43.32327578 36.40123177 -29.17476579 17.39559238 -19.34284979 Cu 37.95366604 39.88968876 37.71888199 -9.90642588 -5.94909415 -7.93976486 Cu 39.18297782 40.79320854 38.39174556 11.66918024 10.51015902 3.42630698 Cu 35.30302897 42.83814538 37.63905551 -0.29086912 -2.49805927 -2.49535219 Cu 35.93114464 43.99801325 39.11824152 1.73598872 1.24295862 2.90084108 Cu 40.10049303 40.54851891 34.85209736 -0.73998710 -0.09082625 0.71268670 Cu 41.60365422 41.12475624 36.46651109 -8.64180312 9.79015727 -7.36482533 Cu 42.06544791 43.43063630 35.46577408 -12.76291016 -3.40524957 -3.83293836 Cu 43.61612729 43.80145122 36.02098422 11.84390977 2.45604995 4.78151772 Cu 42.58087455 40.09122498 37.35935114 4.51905668 -4.97318214 11.28798275 Cu 43.53127631 41.09201764 38.97117919 0.94103134 -0.33121552 1.50970633 Cu 39.66448343 42.68403127 37.11226018 28.52687913 -17.56511021 18.12871147 Cu 40.97555741 43.07655432 38.89352680 -15.47431010 2.80681148 -8.47333268 Cu 35.04263434 35.15136053 39.28249517 -2.04680760 -0.29489044 -3.54862144 Cu 36.21994698 35.60264947 40.79204899 -2.24397504 5.02398903 -8.19814601 Cu 37.00297454 37.99791377 39.62151619 18.70520585 -45.61739524 26.15677075 Cu 38.81127333 38.51894432 41.34725891 -2.05034935 -2.35469522 3.02002500 Cu 36.91735306 35.17049102 42.29388522 5.75395482 -2.43997342 11.23667125 Cu 39.08450338 35.75571598 43.99881808 -4.65582940 -8.59630976 6.25027882 Cu 35.23710347 37.57017884 42.51668654 -1.32512726 -3.10736010 -3.25420351 Cu 36.22422232 38.91950201 43.54655608 -8.10094093 -6.56409621 7.99179282 Cu 39.94590214 35.43324153 40.72739038 -9.03649859 -2.66294887 -3.60870708 Cu 41.48837336 36.00831489 41.43404765 -6.31933085 27.24756365 -8.25624911 Cu 42.84911873 37.58984275 40.26936712 -32.22547630 -19.02703475 -13.81188920 Cu 43.60556472 38.49425818 41.03735392 21.69397733 27.11092444 22.99447050 Cu 42.20384740 34.85081933 42.03810700 14.92196711 -23.31407991 12.69008774 Cu 43.86847215 36.00394286 43.76534421 -0.91829271 0.22303672 -0.87897826 Cu 39.73333753 37.00409575 43.00005349 2.66382574 6.97894430 -8.49544137 Cu 41.03695434 38.28719268 43.94632733 1.72177791 1.88247296 0.24367737 Cu 34.94292271 39.80099153 40.20999044 -1.15058736 0.12981233 1.12240584 Cu 36.26332309 41.49467021 41.17665376 -0.24327869 -0.44822436 0.86738619 Cu 37.82350393 42.21827495 39.80335328 -5.38278426 -7.66034823 -9.14572101 Cu 38.63834321 43.28337470 40.87827378 5.92708916 7.74106614 8.03521390 Cu 37.36102597 39.94186987 42.87644269 9.83897205 9.34624768 -7.26115168 Cu 39.23911782 40.86547492 43.69892213 0.74533655 -0.14906881 0.09889477 Cu 35.06236183 42.74812411 42.77511221 -0.45029997 -0.89194737 -0.73741745 Cu 36.48115325 43.96771709 43.78828861 1.15196197 0.15186945 0.02207604 Cu 39.68857725 39.62342496 39.94578024 2.45351228 -0.60940463 -0.04878867 Cu 40.89974943 41.22892384 41.12165250 12.57350545 -22.56698008 -26.70207667 Cu 42.34497277 42.80178516 39.71375535 15.43313408 -2.31401794 10.39213643 Cu 43.94674946 43.83088558 41.99939752 -1.06350328 -1.19241165 0.00019839 Cu 42.80425086 40.90660926 42.38824999 -7.80191241 -4.71166393 -11.38122706 Cu 43.73378564 41.43478714 43.66957874 7.76703119 5.24502291 10.91435109 Cu 40.39757659 42.11536967 42.13716159 -12.71285397 22.62439045 25.27977985 Cu 40.99934153 43.70821989 43.60820831 0.55341361 -0.18542768 -0.10230279