32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=366.415823630928 stress="-7.771003130784969 0.48205027171814396 0.24406712519355575 0.48205027171814396 -7.988020217296871 -0.1368855947025822 0.24406712519355575 -0.1368855947025822 -7.769005602460709" free_energy=366.415823630928 pbc="F F F" Cu 0.21547056 0.01635763 0.04797327 -12.85133954 -15.22872876 -27.60239472 Zr 1.93350238 1.75900491 0.25685297 -27.59005367 -40.99468960 -92.74658929 Cu 1.21574623 0.12784938 1.58437178 71.42638680 -133.70672746 -31.71592974 Zr 0.23666665 1.23656475 1.35025269 -112.93328271 64.01361863 -58.42786801 Zr 2.70193606 0.01942903 0.29417082 17.87107181 -48.51480827 -51.19069526 Cu 4.43361406 1.49536538 0.03691384 13.02746782 -6.03841996 -17.98276669 Zr 4.20677130 0.07736569 1.72577322 77.57981185 -54.10389283 -53.42172225 Zr 2.91155379 1.59364432 1.77354104 22.36385356 -38.23901239 -37.00872893 Cu 0.03273964 3.07675992 0.29497883 -40.37935384 -30.81671604 -58.28789760 Zr 1.50743242 4.31113270 0.29119256 -22.25583234 103.65170539 -69.71859025 Cu 1.31435306 3.13329398 1.44564997 -14.95359428 12.26387795 41.69780332 Cu 0.00795817 4.26680101 1.40920482 -41.25365391 58.18585226 27.92426073 Zr 2.73108817 3.19215061 0.16717744 80.72363568 27.39423304 -79.13482779 Cu 4.43572501 4.42246131 0.29886601 8.14798637 13.84688114 -9.25354509 Zr 4.38290997 2.87846166 1.35733739 71.47272368 13.96751553 -12.87106082 Cu 2.89973873 4.62919136 1.73388909 14.85244999 25.65731333 -0.22094219 Zr 0.14592855 0.20359985 2.75068542 -114.22992221 -83.13085500 65.06871582 Zr 1.22822113 1.27163296 3.15154029 25.94949901 11.93410019 43.84779904 Cu 1.28973682 0.29811016 4.57473240 45.27941143 -59.57886142 22.41378735 Cu 0.05926218 1.22754451 4.73715536 -60.08160447 33.60606310 22.26968738 Cu 3.02704010 0.20470050 2.77493780 -34.76748786 -65.48024993 64.20454194 Zr 4.62749873 1.22080764 3.11781300 62.21700833 30.94884407 7.28833689 Cu 4.52538860 0.21338862 4.36129912 2.91292409 -29.08871286 36.85817826 Zr 2.70918501 1.75219415 4.62370952 36.03729827 -32.29150867 60.59123241 Zr 0.07924967 2.73892022 2.90870368 -81.82593002 16.63366697 26.79402616 Zr 1.45714373 4.46177622 3.07901043 -18.64022436 64.84830382 -10.68811967 Cu 1.39707300 2.72379400 4.31573811 -32.58127786 26.87521903 42.34336798 Cu 0.27410067 4.39951749 4.27391271 -25.15455768 7.54568304 25.19514279 Cu 3.01566744 2.82501147 2.79250795 19.05482358 71.50120182 44.96543802 Cu 4.73376453 4.50342645 3.09130131 9.57063425 12.37533643 -5.12068652 Zr 4.43626581 3.18302794 4.44011901 42.08590580 0.25148200 32.24654698 Zr 2.74823169 4.34541179 4.30108794 18.92522244 41.71228545 51.68349975