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=310.4936357835482 stress="-6.668470270537349 -0.1317554684212029 0.26663851679805567 -0.1317554684212029 -6.891733672436112 0.7002684328538333 0.26663851679805567 0.7002684328538333 -7.320896467495846" free_energy=310.4936357835482 pbc="F F F" Zr 0.04683757 0.04263272 0.18292312 -35.70134422 -32.13562124 -23.29108704 Zr 1.50795275 1.24043896 0.21547056 -44.17332333 27.96484631 -79.65280512 Cu 1.79041282 0.04797327 1.65944719 -40.90649079 -57.47135254 -16.76254071 Cu 0.25900491 1.38008494 1.75685297 -92.18596552 6.75217779 -63.00301357 Cu 2.71574623 0.12784938 0.23666665 46.68502077 -47.80285163 -40.13939122 Cu 4.23656475 1.35025269 0.01942903 36.19928884 -22.15130625 -31.07222575 Zr 4.79417082 0.20408111 1.51855009 33.06786982 -32.10748794 -11.57850113 Cu 2.95887194 1.68756306 1.20677130 18.06973971 -25.13951523 53.39638238 Cu 0.07736569 2.95530617 0.14977756 -12.03008039 -0.76801968 -16.93944356 Zr 1.57045961 4.77354104 0.03273964 2.05628421 19.48450435 -27.73529965 Cu 1.33853616 2.88803420 1.79497883 42.79902774 31.67677213 -84.81510839 Zr 0.29119256 4.30691229 1.66188986 -58.45702210 82.43081623 -66.21844022 Zr 3.15708438 2.74841186 0.00795817 -15.06784218 52.07481673 -95.06055407 Zr 4.26680101 4.40920482 0.19215061 41.48878248 59.25847801 -70.58604000 Zr 4.66717744 3.14995810 1.25491735 66.14360701 -21.71060845 33.42284333 Cu 3.16523617 4.38290997 1.37846166 -33.77870700 27.07215275 43.63771763 Zr 0.18360837 0.12919136 2.95061547 -54.36872033 -73.59630135 21.78339180 Zr 1.36975542 1.64592855 2.82706660 52.57516811 -40.40634790 75.03864367 Zr 1.71104062 0.15154029 4.28973682 3.24998689 -40.81221703 49.94365681 Cu 0.29811016 1.54613652 4.26010779 -52.63185509 -5.35648967 42.91667255 Zr 2.99582161 0.05926218 2.72754451 55.34262184 -39.31192064 41.91184673 Cu 4.73715536 1.52704010 2.78209294 14.70838316 17.09196151 12.73291982 Cu 4.48656723 0.20470050 4.06070472 13.13905905 -11.67789482 13.22683794 Zr 3.12749873 1.66151995 4.61781300 21.55815865 -22.88790915 35.30039107 Cu 0.16162860 3.21338862 2.86129912 -96.03594087 -35.34954107 51.33269767 Zr 1.20918501 4.75219415 3.12370952 73.19785156 79.40376326 -27.71659920 Zr 1.57924967 2.78416794 4.40870368 4.79354945 24.29577124 63.42189314 Zr 0.27410067 4.45934948 4.27391271 -67.41307231 19.49461818 93.40211465 Cu 2.94615122 2.82501147 2.79250795 35.68760344 22.99780440 4.25135611 Cu 4.49591737 4.39593837 3.22213732 8.73553537 18.01228689 -8.32788587 Cu 4.16309747 3.11082405 4.39487129 19.93845087 2.73291810 15.53454899 Cu 2.74823169 4.34541179 4.30108794 13.31437515 17.94169671 11.64502121