32 Lattice="57.06666618883537 0.0 0.0 0.0 57.06666618883537 0.0 0.0 0.0 57.06666618883537" Properties=species:S:1:pos:R:3:forces:R:3 energy=-116.47196662992432 stress="9.488222771295149e-05 -4.204853028934066e-06 -7.055977611696198e-06 -4.204853028934066e-06 0.00013011334038084995 -9.002202784935197e-06 -7.055977611696198e-06 -9.002202784935197e-06 0.00012065008015568812" free_energy=-116.47196662992432 pbc="F F F" Zr 28.56892251 28.64567212 28.31103363 1.09646857 0.77280559 1.20503718 Zr 30.67413051 30.77699135 28.46807864 -0.37610714 -1.20582396 -0.03410701 Cu 30.33493715 28.54915038 30.70987372 0.67182848 0.79008615 -0.55621225 Cu 28.75881643 30.47050673 30.58585303 -0.20774127 -0.56605095 -0.11533248 Zr 32.68469594 28.64932078 28.49731358 -0.81455162 0.46173537 0.40077586 Cu 34.77304195 30.22463018 28.29409002 -0.63473163 0.24176327 1.01622628 Zr 34.43804366 28.44149557 30.57342800 -0.06377345 0.69653485 0.83886430 Cu 32.64518196 30.76743139 30.77494506 -1.01019901 -1.39198718 -0.59731759 Cu 28.61643920 32.46925563 28.46997977 -0.09701426 0.00409437 0.32639784 Cu 30.81770738 34.51533077 28.53834524 -0.42930771 -0.72279398 -0.01846353 Zr 30.32779097 32.54401635 30.39560999 1.41070603 1.35226342 1.08755803 Cu 28.51672389 34.57385179 30.16399393 0.66765381 -0.64052760 0.11565809 Cu 32.53191505 32.47282503 28.42508656 0.78386744 0.56859774 0.67008328 Zr 34.44405131 34.75404581 28.34601184 -0.15740984 -0.62447384 0.20607741 Zr 34.48683045 32.41176965 30.59481125 0.64038421 0.55193329 -2.58055490 Zr 32.59050173 34.89025625 30.33445301 -1.29779265 -0.42556484 0.25975544 Cu 28.51430893 28.46148585 32.44432008 0.69551274 1.03894394 0.27530359 Cu 30.74465278 30.72386464 32.51857658 -0.54794523 -1.10841552 0.20170787 Cu 30.35512784 28.71289189 34.66125129 0.35123403 0.85974347 -1.18130134 Zr 28.42357245 30.51120955 34.45991338 0.56308271 -0.56564475 -0.53519647 Cu 32.36107965 28.44701409 32.53061653 0.31418355 1.25251564 0.12606852 Zr 34.88815206 30.78726613 32.50959510 0.08636015 -2.79360557 0.95725498 Zr 34.86166407 28.29645496 34.75416108 -1.10392640 1.56581796 -1.52510816 Cu 32.51313933 30.56215770 34.84484214 0.13345739 -0.52531160 -1.05300103 Zr 28.31380372 32.48473489 32.36113770 0.24651398 1.01909114 0.37713735 Cu 30.47908241 34.89276228 32.90119903 -0.05631050 -1.06295455 -0.08492033 Zr 30.58688711 32.57525093 34.53427029 -1.11905490 0.42236657 0.54788788 Cu 28.28897584 34.71209134 34.83576428 0.99369350 -1.00816847 -0.92524032 Zr 32.73433895 32.68756125 33.00714172 -2.82108574 0.18358786 -1.58263304 Zr 34.46714081 34.71158653 32.28973710 0.79843279 0.94641499 0.84830209 Zr 34.70312976 32.56580623 34.49023051 0.80511937 0.15676037 1.96529239 Cu 32.21208819 34.61635079 34.89028040 0.47845262 -0.24373314 -0.63599993