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=-101.42068836181974 stress="-0.00021658266896548578 -0.00013273100728082246 -0.0001585376511731288 -0.00013273100728082246 -0.0001894675920832333 -4.103421751722006e-05 -0.0001585376511731288 -4.103421751722006e-05 -0.0001483445139103471" free_energy=-101.42068836181974 pbc="F F F" Cu 34.75900849 34.98477095 35.64594072 -1.66780009 -0.45375786 0.13864972 Cu 36.59933616 35.93572417 35.98055861 -1.63800354 -7.07110330 5.74104825 Cu 37.14715992 37.22516294 35.23402360 1.10021971 5.37340853 -5.62817209 Cu 38.17806499 38.78131475 35.96390753 2.54575865 2.40913330 -0.48354234 Cu 37.29465675 34.93158033 37.83765651 -8.76942765 -3.62664842 -0.47858987 Cu 38.85840215 35.76443239 38.11272147 7.68664657 3.82195105 1.61351490 Cu 34.64671032 37.42336993 37.34014547 1.93421921 -0.02530495 0.36238045 Cu 36.55604684 39.07636534 38.99475015 0.15567336 4.77207960 -4.63410550 Cu 40.67625812 34.90092489 34.97284494 0.61696387 0.87578331 0.30750653 Cu 41.59993901 36.23678549 36.87134598 -4.58791497 4.17778204 -3.92956415 Cu 42.56413860 37.42957765 34.86420263 -6.03423433 -5.49908905 -3.92302611 Cu 43.67982227 38.56376137 35.86736005 3.87772761 5.69941270 5.08934992 Cu 42.81964364 35.29825864 37.98568119 4.64293085 -3.11199601 4.32233452 Cu 43.94092265 36.80385394 39.30747491 6.28978535 -4.24766336 -4.60638347 Cu 39.63485376 37.67682157 37.44339995 -3.13614060 0.06033238 -3.34908863 Cu 40.92663375 38.45262663 38.77269330 3.49062480 1.78491665 3.04923739 Cu 34.75331176 39.95945902 35.10549878 -2.90278825 -2.38108360 -2.27913717 Cu 36.14575737 40.88078096 36.24085714 2.96910785 0.84514164 4.50256652 Cu 37.15979603 42.35781061 35.02763100 0.27469793 0.93881241 -0.32998969 Cu 38.61643991 43.32327578 36.40123177 -7.33135569 4.04514176 -4.20288749 Cu 37.95366604 39.88968876 37.71888199 -4.77425150 -1.92851107 -2.74353359 Cu 39.18297782 40.79320854 38.39174556 7.12810905 5.45574469 2.91204446 Cu 35.30609528 42.83814538 37.63905551 -2.16300895 -5.25613665 -8.61249521 Cu 35.90975672 43.66349090 39.11824152 4.33284557 3.72267524 9.00482324 Cu 40.60221242 40.09360311 34.96506507 -1.28269283 -1.98583504 -1.53725493 Cu 41.60365422 41.12475624 36.46651109 -4.54586050 7.39587689 -0.65025826 Cu 42.13700750 42.58071739 34.91196001 0.05935504 0.55023922 -0.14898712 Cu 43.94394249 43.22947680 36.65206735 -1.05704845 -1.27780320 0.43792375 Cu 42.58087455 40.09122498 37.35935114 3.59128033 -7.62912277 3.01496390 Cu 43.97769358 41.09133389 38.54532507 1.15424274 2.16522991 1.45669923 Cu 39.66448343 42.68403127 37.11226018 7.82442439 -5.76327786 4.89836946 Cu 40.97555741 43.31914392 38.89352680 -10.83948807 1.92492377 -5.31854792 Cu 35.05615299 35.04331559 39.53882749 -2.26555485 -2.18026453 -3.96628165 Cu 36.18959060 36.09305905 40.79284733 2.70859472 5.14284418 1.21326411 Cu 37.00297454 37.99791377 39.62151619 3.78618944 -8.50688570 3.78691660 Cu 38.55150311 38.51894432 41.34725891 -4.28246273 -5.28627296 4.41899752 Cu 37.07742728 34.96989052 42.36669775 1.71194550 -0.84062065 1.67314584 Cu 39.08450338 35.75571598 43.58475277 -5.33574739 -6.60945822 2.71380035 Cu 34.99655912 37.96978731 42.51668654 -4.80664834 -4.25401200 -5.90187282 Cu 36.22422232 38.91950201 43.54655608 -1.35632828 -2.37166716 8.90796439 Cu 39.03541174 35.43863234 40.41040162 -0.42281735 1.26116510 1.31388909 Cu 41.48837336 36.00831489 41.43404765 -4.10906300 9.51560830 -5.69881354 Cu 42.84911873 37.25854751 39.83531350 -11.66735760 -2.62726356 -0.87851956 Cu 43.60556472 38.49425818 41.03735392 2.22448413 5.82019222 5.83569914 Cu 42.20384740 34.85081933 42.03810700 5.41726118 -7.57235721 5.01067301 Cu 43.56377938 36.33000155 44.00814638 -1.22087308 -0.09450854 -1.17761643 Cu 40.09980901 37.00409575 42.77385137 4.22116161 6.27451144 -4.56363745 Cu 41.20226982 38.73073442 43.78867612 0.38616576 0.46768447 -0.36716408 Cu 34.83286624 39.55088891 39.93496123 -4.02879327 1.17960847 2.39837854 Cu 35.84806200 42.01561322 40.89862271 1.18545767 -0.74278846 -2.35340777 Cu 37.82350393 42.21827495 39.80335328 -3.71154259 -6.86983935 -7.91324195 Cu 38.63834321 43.28337470 40.87827378 5.48783095 5.47946539 6.28779883 Cu 37.36102597 39.94186987 42.87644269 5.96587821 6.31167014 -6.06679952 Cu 39.23985324 40.48748129 43.78505241 1.99200917 0.12760754 -0.86319227 Cu 34.70229211 42.33786223 42.64394718 -3.79675145 -1.33993785 0.96789468 Cu 36.32161316 43.39828065 43.46450590 2.72840997 1.45451079 0.79763627 Cu 39.50493887 39.74812168 40.36805486 2.24895059 4.22871137 -3.79689236 Cu 40.89974943 41.22892384 41.12165250 3.50275482 -4.14265340 -6.78259803 Cu 42.34497277 42.80178516 39.71375535 9.42461618 -4.50576794 6.44910657 Cu 43.77564920 43.91352119 41.70673385 -0.75509581 -1.00881163 0.23742213 Cu 42.85441820 40.42044581 42.15483390 -3.10162894 -1.91460707 -3.43861781 Cu 43.97231408 41.29904278 43.61168417 2.01564017 2.93502549 2.77997950 Cu 40.39757659 42.11536967 42.13716159 -3.58441021 5.83036211 5.75308394 Cu 41.64612467 43.70583537 43.43733959 0.49312737 -0.92250270 -0.77284392