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=221.36258768852923 stress="-0.002817861563382008 0.0002742902275385138 -0.0011636353161173822 0.0002742902275385138 -0.0029129969407772835 0.0009116692509064865 -0.0011636353161173822 0.0009116692509064865 -0.0019388135721899445" free_energy=221.36258768852923 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -5.49178222 -5.22181443 -8.03425095 Cu 36.15142137 35.93572417 35.98055861 -9.42973218 -31.53069667 31.40740209 Cu 36.67756578 37.22516294 35.23402360 14.61711280 37.87412174 -22.79535594 Cu 38.60714772 38.38846909 36.18004449 -6.99429274 5.07774828 -5.05492123 Cu 37.66099888 35.43120791 38.14671993 -111.00814234 -47.36308278 -68.63090567 Cu 38.78275119 35.88656467 38.85899891 108.18625733 54.58751201 59.96552955 Cu 34.86273032 37.66171571 38.07174639 1.16119031 0.26905808 0.13010964 Cu 36.55604684 39.07636534 38.99475015 -76.82849684 177.19320442 -103.20782875 Cu 40.05873752 35.10223056 35.25284888 0.15899650 -0.05846518 0.06834040 Cu 41.57116719 36.00454661 36.78983070 -6.77250682 2.85635347 -11.10763693 Cu 42.51432400 36.93324962 34.69615509 0.02667727 0.22678030 1.05333774 Cu 43.42712388 38.91385061 36.22088890 5.37002124 -5.59582097 -8.18805323 Cu 42.73578848 35.79150318 38.24752218 -106.70842507 -29.44335127 -55.59212259 Cu 43.92497022 36.06567967 38.95948504 115.07309323 25.68237323 63.56431276 Cu 40.03690210 37.71350978 37.13730575 -3.06270113 -16.62198101 -13.56849155 Cu 40.80220443 38.42873123 38.46341174 10.31254541 12.79753202 18.71567208 Cu 34.82624793 39.49365118 35.42673195 -16.13044049 -17.58047516 -14.74735976 Cu 35.82447290 40.48365875 36.32972720 16.30859224 18.17446791 14.73067378 Cu 37.04272155 42.62085647 34.71585688 -0.47198937 -0.63265121 0.68748780 Cu 38.61643991 43.32327578 36.40123177 -95.19287768 58.30490661 -63.41406723 Cu 37.95366604 40.22421110 37.43318260 -5.97565368 -5.27651891 -5.03854662 Cu 39.18297782 41.03855533 38.54078463 5.56108519 3.50771334 6.27108583 Cu 35.23453568 43.29747839 37.16108406 0.68730212 -0.58702954 0.07955464 Cu 36.27203080 43.30690388 39.45797705 -1.86788586 1.89713788 -2.32295133 Cu 40.03993614 39.85675485 34.70374204 0.12085509 -0.34751841 1.22299525 Cu 42.02950833 40.88216664 36.45299244 -208.87809065 415.60428540 -335.84052755 Cu 42.24505244 42.71497096 35.13385638 -0.18160145 1.61384823 -3.08967328 Cu 43.48230473 43.41110275 36.62701071 1.38112689 0.28696131 1.92023388 Cu 42.42080033 40.09122498 37.07979447 201.53629792 -412.98608406 346.29580441 Cu 43.52852024 41.29193439 38.47251254 6.42796885 -6.67729906 -7.36909540 Cu 39.66448343 42.68403127 37.11226018 96.35183926 -57.99669113 63.98767256 Cu 40.97555741 43.73320924 39.13407115 -7.75395060 6.35408000 -1.59557915 Cu 34.65654452 35.45747797 39.97069233 0.53216112 0.72490420 -0.16871843 Cu 36.50657936 36.42435429 41.02401715 -3.91465089 1.88186077 -2.31643809 Cu 37.00297454 37.99791377 39.62151619 77.96995925 -174.92218044 100.79360266 Cu 38.77234072 38.68613018 41.43796857 -7.50168797 -10.68849686 6.97502177 Cu 36.83462511 35.19609263 42.46322326 1.02479282 -4.37966008 4.72347408 Cu 38.64096164 35.89741475 43.69480924 -6.41666204 -4.78984531 3.20218157 Cu 35.00811505 38.24481653 42.89302117 -25.10155234 -26.67605207 -20.77230584 Cu 36.10532765 39.23422129 43.54655608 -175.90350801 -34.73821415 56.79326023 Cu 39.53100435 35.07327613 40.32427134 3.26902437 -6.03539536 8.42669891 Cu 41.48837336 36.00831489 41.43404765 -39.74594985 64.98305486 -33.85727677 Cu 43.28212463 37.20300155 40.54041009 -5.14840707 -17.17584957 -8.57358453 Cu 43.44382035 38.66657240 41.45000670 3.52496784 16.80240738 10.51162643 Cu 42.20384740 34.85081933 42.03810700 40.18548000 -63.93486474 34.25469808 Cu 43.83127293 35.71206028 43.58587175 -0.87460828 -0.29529018 -0.82346439 Cu 40.07818382 36.91839384 43.08790297 7.06229801 5.45323624 -3.57205534 Cu 41.22478383 39.21689787 43.75234525 -4.50089087 -3.68983104 4.17589899 Cu 34.74337686 39.85362037 40.18467774 -10.74109478 -24.43225251 -4.72387176 Cu 35.46691157 41.32905582 40.50773197 12.79566146 21.47900224 2.39244755 Cu 37.64811637 42.01817168 40.27161489 -0.29239216 -8.34387131 -1.52099448 Cu 38.34608634 43.71685713 40.67287335 3.59656743 6.24073349 2.31651508 Cu 37.36102597 39.64571095 43.35078790 167.57812363 42.63479295 -39.75253797 Cu 38.82896186 40.40644965 43.41364719 34.72887680 18.40583007 1.99968024 Cu 34.82758830 42.35295238 42.05413934 -1.19642656 2.22976670 3.83194270 Cu 36.70834461 43.95484767 43.58445220 -0.38529841 -0.49829374 -0.86028411 Cu 39.70549175 40.04527080 40.72110304 -6.12972833 -0.20095476 -10.86642969 Cu 40.89974943 41.22892384 41.12165250 54.94413125 -56.00550123 -73.48913878 Cu 42.34497277 42.45681557 39.26778844 -0.48847689 0.43249405 7.97988172 Cu 43.64260964 43.84306647 41.60697114 -0.61014129 -0.78450760 0.40001383 Cu 42.26459378 40.20201412 42.51948547 2.77208943 5.27782088 -3.97531235 Cu 43.87725473 41.77735174 43.86983378 -1.10578893 0.31638288 -0.93691704 Cu 40.39757659 42.11536967 42.13716159 -41.32142405 67.03868329 77.77665067 Cu 41.49947850 43.65939049 43.93558996 0.86216275 -0.69851346 -0.84711023