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=-42.49387421986139 stress="-0.0005790779148147515 -8.19323965941628e-05 -0.00027107969463600266 -8.19323965941628e-05 -0.000648875071260401 -1.223387357472756e-05 -0.00027107969463600266 -1.223387357472756e-05 -0.00048767682501319517" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.20344271 -0.69855290 -1.15176684 Cu 36.59933616 35.93572417 35.98055861 -5.55351631 -15.61774724 11.34253341 Cu 37.14715992 37.22516294 35.23402360 -1.05826663 5.55958747 -19.43899392 Cu 37.93229823 38.31172061 36.19084223 7.10990110 10.54369198 8.40842754 Cu 37.29465675 35.14771729 38.20399864 -2.88002081 -1.21268093 -0.58055772 Cu 38.85840215 36.26405997 38.83490027 0.72540565 0.18690591 3.45296544 Cu 34.76884260 38.20444678 38.02575960 -0.22099499 -0.41548250 -0.38203871 Cu 36.55604684 39.07636534 38.99475015 -15.41772310 37.12118541 -20.71927313 Cu 40.23975440 35.55577733 35.25284888 -1.24000257 0.29120941 -1.23500811 Cu 41.57116719 36.00454661 36.78983070 -4.11980217 4.19132010 -3.33623206 Cu 42.51432400 36.93324962 34.69615509 -0.52830777 0.02930049 0.97852338 Cu 43.42712388 38.91385061 36.22088890 2.72393787 -5.21772618 -4.50970066 Cu 42.81964364 35.29825864 37.90182602 5.13532126 -3.14169593 4.81261616 Cu 43.94092265 36.79747090 39.26025248 9.51064093 -6.66966252 -8.85518308 Cu 39.61890133 37.43827487 37.40447350 1.32585956 1.60665817 -2.75850397 Cu 41.32868209 38.48931485 38.46659910 0.49651351 -0.21104797 0.44871166 Cu 34.72941635 39.65017747 35.17843495 -1.40065891 -3.27610474 -1.01155493 Cu 35.67994952 41.20201413 35.91957267 -2.91414087 -2.23705886 5.44921871 Cu 36.83832478 42.32454839 35.07964709 4.97217083 4.66044811 -3.36185492 Cu 38.61643991 43.32327578 36.40123177 -26.16811855 15.73347748 -17.49464040 Cu 37.95366604 39.88968876 37.71888199 -9.36517062 -5.94937329 -7.38903203 Cu 39.18297782 40.79320854 38.39174556 11.20477115 10.01915807 3.46973320 Cu 35.30302897 42.83814538 37.63905551 -0.48296590 -2.13359417 -2.45530907 Cu 35.93114464 43.99801325 39.11824152 1.56466049 1.29974275 2.80279001 Cu 40.10049303 40.54851891 34.85209736 -0.49402999 0.13916956 0.62463523 Cu 41.60365422 41.12475624 36.46651109 -8.36349862 9.33988608 -7.22506910 Cu 42.06544791 43.43063630 35.46577408 -12.21404024 -3.16290977 -3.87116659 Cu 43.61612729 43.80145122 36.02098422 11.54392655 2.52314556 4.42562704 Cu 42.58087455 40.09122498 37.35935114 4.49788049 -4.83724057 10.85223393 Cu 43.53127631 41.09201764 38.97117919 0.93058600 -0.19644437 1.28719148 Cu 39.66448343 42.68403127 37.11226018 25.99003232 -15.93569497 16.53842299 Cu 40.97555741 43.31914392 38.89352680 -11.65276711 4.07875328 -6.33036416 Cu 34.81356338 35.02979695 39.64687243 -7.29764978 -7.31653428 -5.10670040 Cu 35.93325827 36.12341543 40.35225234 7.78249949 7.10273488 5.37259207 Cu 37.00297454 37.99791377 39.62151619 16.01023656 -37.80284703 21.37443604 Cu 38.50089017 38.51894432 41.34725891 -0.64413962 -1.24876790 1.57311085 Cu 37.33719750 35.17049102 42.29388522 0.40850261 0.99141600 -0.41730878 Cu 39.08450338 35.75571598 43.99881808 -4.40258652 -8.41665481 6.26477952 Cu 35.23710347 37.57017884 42.51668654 -1.39273983 -2.90459420 -3.00652717 Cu 36.22422232 38.91950201 43.54655608 -7.95996518 -6.33860735 7.89269261 Cu 39.94590214 35.43324153 40.72739038 -8.58865045 -2.99005490 -3.02299567 Cu 41.48837336 36.00831489 41.43404765 -5.38443469 25.35714631 -7.31490357 Cu 42.84911873 37.58984275 40.26936712 -29.48085817 -16.66405357 -11.71679500 Cu 43.60556472 38.49425818 41.03735392 19.62927906 24.30667272 20.60635522 Cu 42.20384740 34.85081933 42.03810700 14.05044152 -21.62749153 12.01654038 Cu 43.86847215 36.00394286 43.76534421 -0.99883629 -0.01346508 -0.96410842 Cu 39.73333753 37.00409575 43.00005349 2.60353231 6.92652207 -8.38222709 Cu 41.03695434 38.28719268 43.94632733 1.43277730 1.56292055 0.56163880 Cu 34.94292271 39.80099153 40.20999044 -1.12924738 -0.08553641 0.97185336 Cu 36.26332309 41.49467021 41.17665376 -0.38437823 -0.28245309 0.79475069 Cu 37.82350393 42.21827495 39.80335328 -5.16372375 -7.33004905 -8.90247870 Cu 38.63834321 43.28337470 40.87827378 5.76550781 7.47656249 7.67257562 Cu 37.36102597 39.94186987 42.87644269 9.31833843 9.21961524 -6.54187454 Cu 39.23911782 40.86547492 43.69892213 0.75727185 -0.15898900 0.13658340 Cu 35.06236183 42.74812411 42.77511221 -0.33354172 -0.58848328 -0.47872564 Cu 36.48115325 43.96771709 43.78828861 0.68487319 0.17105131 0.05260075 Cu 39.68857725 39.62342496 39.94578024 1.26515130 -1.84338399 1.36428732 Cu 40.89974943 41.22892384 41.12165250 11.35116261 -20.37027432 -24.39192664 Cu 42.34497277 42.80178516 39.71375535 11.40333805 -3.64556371 8.01652997 Cu 43.94674946 43.83088558 41.99939752 -1.05238577 -1.30639041 0.09352938 Cu 42.80425086 40.90660926 42.38824999 -7.40043825 -4.33429213 -10.88317544 Cu 43.73378564 41.43478714 43.66957874 7.70097906 5.15833268 10.50901681 Cu 40.39757659 42.11536967 42.13716159 -11.49675688 20.82557164 23.21678259 Cu 40.99934153 43.70821989 43.60820831 0.49230148 -0.24068280 -0.14828911