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=-80.63345692600492 stress="-1.8217635649885086e-05 -3.132936790854231e-05 -8.68281474694333e-05 -3.132936790854231e-05 -1.7254322167467987e-05 -9.654464259174721e-06 -8.68281474694333e-05 -9.654464259174721e-06 -3.24181325253267e-05" free_energy=-80.63345692600492 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -0.56683975 -0.41675814 -0.43325321 Cu 36.59933616 35.93572417 35.98055861 -1.65814010 -1.76613577 0.30855178 Cu 37.14715992 37.22516294 35.23402360 0.77979418 3.16081301 -2.05647396 Cu 38.38021302 38.78131475 35.96390753 0.15240386 2.43536288 -2.50657014 Cu 37.29465675 35.15851503 37.44481085 0.57896368 -0.86346657 2.70442208 Cu 39.07453911 35.76443239 38.89217898 -1.31274369 2.32840582 -3.84572200 Cu 34.64671032 38.37091231 37.80973961 0.41541868 1.35006073 -0.66042474 Cu 36.55604684 39.07636534 38.99475015 -1.92604708 4.74386331 -3.09000974 Cu 40.75838683 35.21811959 34.87884026 0.54082811 0.73594058 0.02448571 Cu 41.59993901 36.23678549 36.83816590 -1.91526403 1.92041297 -0.50662111 Cu 42.56413860 37.42957765 34.86420263 -1.38606025 -1.45956217 -0.35247515 Cu 43.89584226 38.56376137 35.86736005 0.22752938 0.91454760 1.00863264 Cu 42.81964364 35.29825864 37.98568119 -0.18257452 -1.46873837 -0.22505284 Cu 43.94092265 36.09465734 39.26041827 2.67154129 -0.65129438 -0.36325186 Cu 39.24426786 37.67682157 37.25185996 1.20542473 -2.21207855 2.12290047 Cu 40.92663375 38.45262663 38.77269330 0.87588484 -0.00446890 -0.32348908 Cu 35.24945266 39.95945902 35.07672696 -1.60956208 -2.64157390 -1.73695861 Cu 36.14575737 40.64854207 36.24085714 1.54238826 1.81606488 3.52816672 Cu 37.52027385 42.18586373 35.13172459 -0.06101195 -1.00872222 -0.55949666 Cu 38.61643991 43.32327578 36.40123177 -3.25442682 3.05472504 -2.32295508 Cu 37.95366604 39.88968876 37.71888199 -1.94820106 -1.04910957 -1.09004334 Cu 39.18297782 40.79320854 38.39174556 3.25291533 2.04996739 0.75099494 Cu 35.05339689 42.83814538 37.63905551 0.20175238 -1.39928365 -0.99792252 Cu 35.90975672 44.01358015 39.11824152 1.12622172 -0.83970376 1.07756734 Cu 40.38619242 40.65670097 35.19630284 -3.20647499 -0.33138605 -0.96156307 Cu 41.60365422 41.12475624 36.46651109 -0.88670638 3.58891329 -0.23698988 Cu 42.39884849 42.95535085 34.86495331 -0.66138170 -0.84656430 0.22457568 Cu 43.93378786 43.46171569 36.36724050 0.00744429 -1.02054098 1.04163143 Cu 42.58087455 40.09122498 37.35935114 0.44935113 -4.37865316 0.59200919 Cu 43.67159938 41.09133389 38.42089575 1.13432649 2.77460497 0.99080234 Cu 39.66448343 42.68403127 37.11226018 4.51317812 -3.26388497 2.71452832 Cu 40.97555741 43.31914392 38.86963140 -3.77274230 0.93965812 -0.18778545 Cu 34.74687143 35.11625177 39.53882749 0.30208302 -0.15313488 -0.94193788 Cu 35.72378276 36.09305905 41.16389510 -0.12670340 2.11186981 -0.53746977 Cu 37.00297454 37.99791377 39.62151619 3.37411393 -7.16046769 3.81364970 Cu 38.55150311 38.51894432 41.34725891 -0.21637347 -1.75977048 2.53500936 Cu 37.07742728 35.05876058 42.17397231 2.90163104 -0.50505652 0.58636481 Cu 39.08450338 35.75571598 43.96993091 -0.91081828 -0.21071369 -0.73152169 Cu 34.99349281 37.96978731 42.51668654 -1.21196391 -0.61943199 -2.22253846 Cu 36.22422232 38.91950201 43.54655608 -0.87225480 -0.99509918 2.41526521 Cu 39.55312769 35.33589904 40.41040162 -0.53472939 -0.67670246 4.15015623 Cu 41.48837336 36.00831489 41.43404765 -2.44461292 2.12588744 -2.81394031 Cu 42.84911873 36.97284812 40.33335868 -2.18468721 0.97461451 -0.70963278 Cu 43.60556472 38.49425818 41.03735392 -0.01426487 2.68218260 1.52951694 Cu 42.20384740 34.85081933 42.03810700 3.37104171 -3.33858306 2.96826697 Cu 43.79667361 35.76519741 44.00814638 -0.57116704 -0.51719163 -0.74642472 Cu 40.55914202 37.00409575 42.77385137 -2.09766435 -0.69695138 0.05461299 Cu 40.46245738 38.73073442 43.44804153 -0.15039070 2.47369390 -0.11607268 Cu 34.83286624 39.78943560 39.93496123 -2.14847685 -1.17137863 0.75252342 Cu 36.22672398 41.26730860 40.41551722 -0.80690569 0.53072599 2.09203460 Cu 37.82350393 42.21827495 39.80335328 -0.19152676 -1.17421494 -2.79893279 Cu 38.63834321 43.28337470 40.87827378 2.70104225 1.46185817 1.09228253 Cu 37.36102597 39.94186987 42.87644269 1.30042189 2.23238799 -2.93334374 Cu 39.23985324 40.79425924 43.54246281 0.52266798 -0.43106724 0.15909760 Cu 34.73740087 42.54733774 42.35307038 0.25813629 -0.90540671 -1.09468614 Cu 36.15248803 43.74478992 43.37563583 0.35113286 0.32617111 0.28114120 Cu 39.50493887 39.74812168 40.36805486 0.77451467 0.90494253 -1.51553663 Cu 40.89974943 41.22892384 41.12165250 1.77115923 -1.97061652 -5.82940159 Cu 42.34497277 42.80178516 39.71375535 3.08601068 -1.98602999 1.60811386 Cu 43.96837464 43.75651327 41.40578925 -1.16486829 -0.90896866 1.19975768 Cu 42.07072252 40.42044581 42.64113379 1.34772578 -1.56124415 0.75560661 Cu 43.75046248 41.78466768 43.69004715 -0.94355046 1.72500812 -0.95138060 Cu 40.39757659 42.11536967 42.13716159 -1.88264026 5.01041774 4.79679060 Cu 41.69801297 44.06242240 43.78359587 1.08472757 -2.00914528 -1.47958078