32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-58.96229971217454 stress="-0.001745239155035084 0.00031485376265377377 -9.43289293824214e-07 0.00031485376265377377 -0.0017403849344718035 0.00011688658032893175 -9.43289293824214e-07 0.00011688658032893175 -0.0015685692306294057" free_energy=-58.96229971217454 pbc="F F F" Cu 20.91661558 20.96512192 21.22586561 -4.59383744 -3.34900558 -5.26422915 Cu 22.91891194 22.35114529 21.02103145 -3.40613563 10.45647938 -10.10636747 Cu 22.40261356 21.18220204 22.51862841 3.99981646 -10.52863153 10.10165914 Cu 21.23573857 22.65224172 22.40038150 -8.77660317 7.30133183 2.17577396 Cu 23.95296332 20.84887301 21.22083292 7.91813783 -9.65528086 -2.18954176 Cu 25.94044947 22.61235431 20.92299150 -0.56631165 2.33943182 -1.83256026 Cu 25.78198366 21.18107110 22.45325321 2.62498991 -2.09703387 0.97671385 Cu 24.09424191 22.72495250 22.88620756 9.65509887 -7.46586889 -4.01588455 Cu 21.01193751 24.50226748 20.96431997 -0.37500786 -1.41357561 -2.09633949 Cu 22.88632945 25.94736142 20.98984116 -5.07693601 6.87714835 0.08825894 Cu 22.86354596 24.01922180 22.40729695 -7.21909657 9.32626585 1.66636265 Cu 21.02031036 25.85469967 22.64515752 -0.29935547 1.21168604 1.35714568 Cu 24.12970777 24.52711528 20.87871118 0.29277168 -11.28504325 -2.74112119 Cu 25.62713077 25.60625112 20.71865377 7.72185904 5.12104858 -0.55395802 Cu 26.01116082 24.01429260 23.01019465 0.93371535 0.67517051 -1.07620714 Cu 24.46980528 26.02922278 22.81043805 -1.28449474 0.29144758 -6.83256154 Cu 20.95460942 21.07327937 24.44989723 -2.54997320 -1.85767775 -3.74042714 Cu 22.75461200 22.49925859 24.39909288 -4.82436799 -4.84183957 1.82581591 Cu 22.39064846 20.88507600 26.01888514 3.83539828 -2.30299965 2.02581094 Cu 20.98273691 22.48565667 26.04589611 -2.51987857 2.57760992 2.75664446 Cu 24.23832506 20.70220318 23.96755886 -1.84882358 -2.94800721 1.65117170 Cu 25.73041431 22.22992573 24.51235339 3.59576034 4.71554476 -6.95092892 Cu 25.69301320 21.21005355 26.08711731 0.66318839 -6.15622590 7.06437973 Cu 24.35554903 22.92094673 26.03210459 -2.50856203 -2.61834425 7.53240266 Cu 20.99042854 24.01082745 24.22664413 -3.81053342 -0.35609173 -3.96470219 Cu 22.86622900 25.89701293 24.06634348 -3.67270037 1.32760838 1.69295395 Cu 22.38260841 24.23566276 25.68943107 5.93538460 -2.19452372 6.09053818 Cu 21.04376171 25.59551529 25.79823590 -4.96966183 6.09568567 1.13478393 Cu 24.05722932 24.01172667 24.42368234 4.34247385 9.07134801 -2.72344435 Cu 25.75936473 26.06241936 24.24816022 6.28057574 1.92239811 1.40805028 Cu 25.88783276 24.45071341 25.70358036 4.21309213 -1.93105126 1.39687173 Cu 24.39720807 25.96442344 25.83206424 -3.70998295 1.69099582 3.14293547