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=251.17483231851773 stress="-6.4281736703120025 -0.21734425185892897 0.5414482422156176 -0.21734425185892897 -6.355740972763603 -0.39849822282186675 0.5414482422156176 -0.39849822282186675 -6.284242841481627" free_energy=251.17483231851773 pbc="F F F" Cu 0.07797747 0.26599513 0.17918122 -13.92395630 -39.23067455 -42.78776815 Cu 1.55957798 1.66192607 0.03099333 -10.57564331 -14.64710700 -40.88603181 Zr 1.69045800 0.07166715 1.42588762 -50.28075653 -56.74941476 -7.25347836 Zr 0.17379638 1.40411058 1.30168856 -55.49405434 19.39737145 28.79672767 Zr 2.87252202 0.03320948 0.20040666 22.72569796 -35.19472339 -60.94520055 Zr 4.55646809 1.54902255 0.16980798 37.70241691 -8.92478421 -48.97439230 Zr 4.46427615 0.02184289 1.82250224 47.10678024 -54.63239188 -10.84697518 Cu 3.26010088 1.64618898 1.73454065 5.01884129 5.38932246 -34.87174864 Cu 0.03480345 3.03310309 0.23956773 -36.01369832 -19.53443676 -39.44424176 Cu 1.22557373 4.40977949 0.14408857 34.20466015 41.00670678 -85.11173423 Zr 1.51849168 3.20902946 1.29590009 -10.35249611 -15.23080278 20.41633315 Zr 0.16265408 4.45874788 1.28703191 -85.01149577 60.36940657 33.32464285 Cu 2.73417086 2.94170993 0.18168807 39.38218371 10.75466564 -53.32233449 Cu 4.77420700 4.54583639 0.11951579 7.65258792 11.80153727 -12.51518834 Zr 4.46781377 3.13443557 1.36892828 51.32390415 30.57273376 7.97173903 Zr 2.94125040 4.72475079 1.27927999 20.70193304 49.25759424 -7.61206606 Cu 0.27544140 0.28148913 3.12304766 -21.91032386 -20.89043685 -7.68910311 Cu 1.46864501 1.76147517 3.00736779 -53.25864811 -36.74213581 -9.91617020 Cu 1.35244334 0.17858111 4.58352372 9.76292083 -23.27476627 20.70445139 Zr 0.26111147 1.72232616 4.47927008 -86.36064666 -27.10976480 37.59095442 Zr 2.72147108 0.19736496 2.82128623 9.66705531 -75.42474311 55.33466308 Zr 4.63856038 1.38494714 3.24896834 52.78013573 9.11077437 19.46974040 Cu 4.43934562 0.17621204 4.63215382 1.73279683 -14.51358290 17.24506962 Cu 2.71035018 1.53922890 4.37689326 30.19945630 -22.31125342 32.94342560 Cu 0.11719846 3.27680686 2.86377238 -40.35167427 -8.97247453 12.76565661 Zr 1.46186245 4.56224969 2.84915582 4.28929048 56.10377102 33.55175541 Zr 1.48058377 2.76986142 4.63236414 16.97942233 72.84179078 68.29299066 Cu 0.01619234 4.30772007 4.53790681 -8.00199201 8.14551599 6.84501053 Cu 2.73395044 2.71647147 2.91600793 50.46311314 57.58616775 29.43584451 Zr 4.63169046 4.73295849 3.20897174 36.09640160 19.91179489 -18.05066156 Cu 4.79740101 2.78561866 4.57730756 8.60352772 5.53332811 13.82901321 Zr 3.27125139 4.30522007 4.28391760 -14.85774002 15.60101196 41.70907662