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=-66.84385526841825 stress="-0.0003245361453473558 0.00012541688716315925 -7.89658829485338e-05 0.00012541688716315925 -0.00033836654808668595 0.00010845001372369763 -7.89658829485338e-05 0.00010845001372369763 -0.000374993836103345" pbc="F F F" Cu 35.59659101 34.94648683 35.10954138 1.06582749 0.70044678 0.78510145 Cu 36.44459535 36.78324421 36.32998701 -1.36512451 -0.82614782 1.32478027 Cu 37.92701379 37.54820353 35.20099123 0.11109958 -1.93974432 -3.93897770 Cu 38.55589524 38.53874993 36.66265278 -27.55496606 25.26155080 -12.00285927 Cu 37.90424529 34.90229052 36.75725883 0.01179436 0.87788192 -0.45812320 Cu 38.79155283 35.72088216 39.06405160 -62.02165142 33.82868939 -73.12025532 Cu 34.81180744 38.11105005 37.66720080 1.24609376 0.08347700 0.04054567 Cu 36.54877477 38.99146864 39.49538486 0.30219641 -0.02857961 -0.24293052 Cu 39.22262088 34.84433686 34.78209625 -0.28193057 0.84569428 1.07129260 Cu 40.74997922 36.04989673 36.35812427 0.02040122 -0.35924407 -0.35888771 Cu 41.94818812 37.95681790 35.08177758 -0.64288973 0.08201141 0.82419723 Cu 43.66483256 39.29620592 35.41661606 0.53052602 -0.06018852 -0.49323116 Cu 42.33472841 34.62859478 37.07931378 -0.64320023 -0.33200237 -0.40246224 Cu 43.30623241 36.08063137 38.15475058 -0.21541785 0.95611210 0.50894635 Cu 39.51567701 37.69823237 37.04928231 31.36681220 -27.30039248 13.22473542 Cu 40.79024621 38.76672657 39.38476432 -0.24988080 0.46036038 -1.58238151 Cu 34.76628147 40.15124589 34.93567952 1.01173559 0.43674271 0.85276830 Cu 36.54714913 41.60304818 35.90503041 -9.91486004 -19.34948119 16.97610464 Cu 37.05403308 42.62092295 35.01882052 9.71222658 18.95027213 -16.06088054 Cu 38.94198206 43.79598148 36.14399169 -0.03979448 -1.15395133 0.07841117 Cu 37.70609579 39.92647898 37.42162521 -5.51687585 1.90194577 -2.24658373 Cu 38.45868869 40.74920932 38.82895218 2.80497915 -11.66633817 -9.29355367 Cu 34.82960153 42.94471660 37.58696455 1.06953088 -0.64369074 0.00069599 Cu 36.56744857 42.84750151 39.18343987 0.24242725 6.47680756 -10.06365779 Cu 39.74085497 40.28015531 35.20633789 -1.71633014 -1.93979313 -0.36403367 Cu 41.00439459 41.55820902 35.96963622 6.03678956 -14.13273083 -20.03425977 Cu 42.30539633 42.04401900 35.13359398 10.16548285 3.49223352 -5.93091763 Cu 43.12545692 43.59278126 36.70425825 -0.86322542 -0.92884611 0.50472773 Cu 42.42010011 40.15197765 36.80395512 -1.20242680 -0.22197533 0.66065466 Cu 43.97245873 40.72298703 38.11688757 -0.18242728 0.36502189 0.38389796 Cu 40.38688112 42.08824509 37.10112862 -14.92822704 12.92606509 27.58245082 Cu 41.66696181 43.74437329 38.76694928 0.02017482 -0.16731231 -0.91918184 Cu 35.30076807 34.85382577 39.46777694 0.86828800 0.98732456 0.14821067 Cu 36.48692924 36.45179466 40.74084650 -5.40423628 -2.31248760 3.25092166 Cu 37.90565462 37.01927222 39.86230136 1.82504176 7.61060459 -0.18819974 Cu 39.23862683 38.99673192 40.70181333 -5.54396627 -15.62123912 5.16944040 Cu 38.12973972 35.32743226 42.98776867 -1.07263186 -0.19315558 -1.12443890 Cu 39.56713975 36.64396426 43.50476338 0.40697894 0.47077093 2.38058591 Cu 35.34372659 37.06613604 42.63483066 0.99365442 0.40194558 -0.13072352 Cu 36.75450574 38.65464116 43.93853559 0.18193104 0.08852973 -0.93483108 Cu 39.52038785 35.28966064 39.84018430 63.89480873 -39.05086957 68.57446746 Cu 41.09641129 35.73496519 40.99871166 3.31732262 -2.41967405 -0.98799889 Cu 42.47902970 37.71823295 39.64093810 1.43304711 -1.08075361 0.55842232 Cu 43.61417178 39.50760200 41.16281801 -0.51557216 -0.02645521 -0.60092148 Cu 42.71955709 35.17678148 42.29363580 0.20299382 0.49705318 0.51255653 Cu 43.70377195 36.26304426 43.92504944 -0.79270988 0.37247380 -0.49813459 Cu 40.23079018 37.18842517 41.75188694 -0.95735924 4.05403031 -0.58683933 Cu 41.63062796 38.26953262 43.81528215 -0.00197165 -1.00533032 -0.40333609 Cu 34.83999585 40.09219082 40.48339397 0.46307340 0.34049536 0.22764402 Cu 36.13871345 42.01034614 40.54339423 -2.88893046 -5.80054058 9.22911809 Cu 38.23197066 41.98145334 39.72113736 -0.54440402 14.55622047 11.38660208 Cu 38.55788238 43.92261808 41.72590632 -3.68280174 4.97756526 -3.96014264 Cu 37.48370396 40.43077273 42.43802221 -0.87340554 -0.69851768 -3.13577142 Cu 37.99529383 41.04565412 44.18533500 0.51586237 1.17463854 1.94235714 Cu 34.77987260 42.33170094 42.25841823 0.84154566 -0.33102010 -0.13039071 Cu 37.01788715 43.71285518 43.72062988 0.60094675 -1.11443794 -1.07710289 Cu 39.58604388 40.46914856 40.32488512 5.51885593 14.29737895 -0.92693198 Cu 41.19774168 41.37626614 41.26227964 -0.32026633 -0.60062381 2.10343124 Cu 42.50842636 42.50722101 40.29763519 -7.55610346 -11.50907618 -3.62941252 Cu 43.45515387 43.72085435 40.60535091 8.85274423 11.69695276 2.91849281 Cu 42.42006226 40.03963168 42.87054360 -2.91828344 -0.20977504 -2.63993409 Cu 43.65788376 40.58037054 44.13907096 1.97504710 1.24430200 2.11389656 Cu 39.26660845 42.65470806 42.64890650 2.95670629 -6.18731929 4.17455638 Cu 42.07806617 43.02019397 43.64906105 -0.15507531 -1.20390478 -1.04172642