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=-102.79444523670848 stress="-0.00040791705287371327 -0.0001598683914965463 -0.00020363475025643194 -0.0001598683914965463 -0.0003831143473363808 -7.561082206773114e-05 -0.00020363475025643194 -7.561082206773114e-05 -0.00032338733734958155" free_energy=-102.79444523670848 pbc="F F F" Cu 34.75900849 34.98477095 35.64594072 -2.17610786 -0.92277285 -0.42620311 Cu 36.59933616 35.93572417 35.98055861 -1.43010910 -7.36277345 6.11659215 Cu 37.14715992 37.22516294 35.23402360 2.33895990 7.35955619 -6.14571023 Cu 38.38021302 38.78131475 35.96390753 0.15451272 0.77304094 -1.11042906 Cu 37.29465675 34.93158033 37.83765651 -7.52262833 -4.15120722 -1.25855893 Cu 38.85840215 35.76443239 38.32368882 6.70753151 4.21112806 0.62311412 Cu 34.87364502 37.47843907 38.02587658 0.61386349 -0.19921080 0.23382625 Cu 36.55604684 39.07636534 38.99475015 -5.94160043 10.09562568 -4.80782832 Cu 40.81566554 35.79339813 35.06577139 -6.45038606 -3.67347062 -9.65968944 Cu 41.59993901 36.23678549 36.42935289 4.17630271 4.10492665 10.89462642 Cu 42.56413860 37.42957765 34.86420263 -4.05019497 -3.83814355 -5.92324411 Cu 43.67982227 38.56376137 35.86736005 4.67386344 5.21132213 4.90634266 Cu 42.81964364 35.29825864 37.98568119 -0.80042442 -2.70647765 -1.21953274 Cu 43.94092265 36.42635864 39.33157354 9.95732184 -5.35376256 -1.82384974 Cu 39.63485376 37.67682157 37.44339995 -2.27192606 -1.48686452 -3.27318698 Cu 40.92663375 38.45262663 38.77269330 2.92156621 2.28677576 2.93994936 Cu 34.75331176 39.95945902 35.10549878 -3.36863368 -2.33303668 -3.03994409 Cu 36.14575737 40.88078096 36.24085714 2.89977340 1.20914742 4.55483509 Cu 37.45146699 42.02610931 34.95647573 1.51595292 0.46213966 -0.96674218 Cu 38.61643991 43.32327578 36.40123177 -8.72167515 5.41954869 -5.31761094 Cu 37.95366604 39.88968876 37.71888199 -5.75455466 -3.61171479 -3.77097858 Cu 39.18297782 40.79320854 38.39174556 7.82413497 6.02743157 3.29040495 Cu 35.30609528 42.83814538 37.63905551 -3.20901702 -5.31692522 -8.47877723 Cu 35.90975672 43.66349090 39.11824152 4.09483014 4.50039849 9.54188580 Cu 39.99560653 40.11163213 35.19919919 0.38854779 0.79768562 0.24592072 Cu 41.60365422 41.12475624 36.46651109 -6.98374539 3.66794353 -2.66577134 Cu 42.10823568 42.73906440 35.38832686 -6.98736237 2.18921053 -4.20507214 Cu 43.92289971 42.96538766 35.89650526 7.39484785 0.36047419 2.61832158 Cu 42.58087455 40.09122498 37.35935114 3.79721573 -8.20327077 3.76497707 Cu 43.97769358 41.09133389 38.54532507 1.58878799 1.91076032 1.42261022 Cu 39.66448343 42.68403127 37.11226018 9.18317383 -6.81287042 6.04514097 Cu 40.97555741 43.31914392 38.89352680 -11.22617859 3.23815346 -5.72718697 Cu 35.05615299 35.04331559 39.53882749 -4.61492093 -4.25871796 -4.81013466 Cu 36.18959060 36.09305905 40.60168578 5.10291774 5.42250164 3.77338332 Cu 37.00297454 37.99791377 39.62151619 5.35054497 -10.56258941 6.87272859 Cu 38.55150311 38.51894432 41.34725891 -4.73416824 -5.72946259 4.64143798 Cu 37.07742728 34.96989052 42.36669775 0.50067977 -0.25654076 0.25131067 Cu 39.08450338 35.75571598 43.58475277 -4.87464522 -6.29347189 3.70207865 Cu 34.99655912 37.96978731 42.51668654 -5.31324995 -4.25767659 -5.41191642 Cu 36.22422232 38.91950201 43.54655608 -1.29588559 -2.27063136 9.27969698 Cu 39.36369224 35.43863234 40.41040162 0.27490718 -0.11424315 2.64282174 Cu 41.48837336 36.00831489 41.43404765 -4.53453800 9.33574898 -6.12044021 Cu 42.84911873 37.25854751 39.83531350 -12.51518718 1.80378009 -0.04673959 Cu 43.60556472 38.49425818 41.03735392 2.49769966 5.05387567 4.87842353 Cu 42.20384740 34.85081933 42.03810700 5.45420920 -8.57552400 4.60387919 Cu 43.56377938 36.33000155 43.99219394 -0.25537173 -0.17329749 -0.41226335 Cu 40.09980901 37.00409575 42.77385137 3.46644947 4.10972663 -5.62263974 Cu 40.70188214 38.73073442 43.76570210 1.06467495 2.29459860 1.28841503 Cu 34.83286624 40.19148394 39.93496123 -6.29536753 -6.63031828 -4.39329686 Cu 35.92367667 41.30747068 40.73750517 10.01120903 2.43707032 0.66226033 Cu 37.82350393 42.21827495 39.80335328 -4.62761229 -7.48870063 -7.78602693 Cu 38.63834321 43.28337470 40.87827378 5.54012088 6.47810257 6.91619025 Cu 37.36102597 39.94186987 42.87644269 5.80221614 6.38340654 -6.28004330 Cu 39.21595783 40.48429393 43.85798859 1.28355464 0.75523752 0.01568798 Cu 34.95058910 42.48238561 41.92559180 -3.04461441 3.65776873 3.70968098 Cu 36.73176768 43.60267742 43.76081397 -0.03879424 -0.01128911 -0.26284559 Cu 39.50493887 39.74812168 40.36805486 3.00726531 4.91617948 -4.65363663 Cu 40.89974943 41.22892384 41.12165250 4.15113427 -5.59151747 -9.26102217 Cu 42.34497277 42.80178516 39.71375535 9.98942206 -4.57778689 6.48170854 Cu 43.96530834 43.93797542 42.01986827 -0.27313345 -0.33776977 -0.03732712 Cu 42.23419647 40.42044581 42.68588008 -1.14678759 -2.14589614 -0.26598653 Cu 43.97231408 41.29904278 43.61168417 1.84150878 1.40267792 0.88202753 Cu 40.39757659 42.11536967 42.13716159 -5.27579358 7.91572629 7.66851442 Cu 41.64612467 43.70583537 43.43733959 0.16491355 -0.54373527 -0.28415785