64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=400.90712667522166 stress="-0.004127183555289446 -0.0006357997242873496 0.00011768181754993801 -0.0006357997242873496 -0.0036906393671317177 0.000622260583445677 0.00011768181754993801 0.000622260583445677 -0.0025671069339117205" free_energy=400.90712667522166 pbc="F F F" Zr 35.26751244 35.52136160 34.90267880 -1.37362780 -1.56909978 -1.44769502 Cu 36.56860671 36.79881500 36.11552624 -10.78221446 -10.32762341 19.08260670 Zr 37.47786702 37.67681620 34.87988405 12.58596373 11.35116789 -16.62401354 Cu 38.89801360 39.48558102 35.84829128 -26.56087694 -20.02531101 31.18437167 Cu 37.94775631 35.46667680 37.75575538 -60.99428809 -44.85346934 -27.27990094 Cu 39.07056416 36.30138129 38.25905976 60.44010968 45.93009139 25.85362251 Cu 34.92484837 37.70640243 38.21166221 -96.08224133 -82.26338661 -9.05436768 Zr 35.97630748 38.60459308 38.29327805 104.07608335 73.81496711 -12.58111651 Zr 40.02470472 34.94384435 35.12260393 -17.31817356 -9.67377074 -9.92607803 Zr 41.47108376 35.86992394 36.06094196 9.88243660 17.64022695 -0.90836535 Cu 42.66132015 37.52605128 34.93150076 -1.25153790 0.01823951 -3.29956877 Zr 43.72118770 38.27661118 36.68095516 5.36426282 -4.11055138 0.90612494 Zr 42.31129485 34.70452046 37.54070639 -0.58996517 -11.78271020 7.94856311 Zr 44.12170749 35.44312075 38.73436239 6.45066394 3.49603519 4.75359244 Cu 40.19582750 37.62986049 36.78883744 -0.37282876 2.12785876 0.36299851 Cu 41.24705666 39.57993469 38.44785551 -50.08194546 -3.04897467 39.80950462 Cu 34.78353308 40.16746169 35.79096638 0.34644694 -0.52784056 0.48580739 Cu 36.07875178 41.96297049 35.71576079 -51.79378968 -9.57364181 26.13898337 Zr 37.45284697 42.21855784 35.03005084 52.50711511 9.39993634 -25.26862549 Cu 38.78257764 43.69477129 36.92374601 -12.94004702 28.80409378 -0.75916979 Cu 37.53776017 40.32181618 38.32694924 -55.32971454 -54.07712486 -7.77142835 Cu 38.59508615 41.36457661 38.45353115 53.94777426 53.85517006 10.41775150 Cu 34.90937980 43.01631224 37.30236118 -1.39656974 -0.75239188 -1.36477603 Zr 36.20354957 43.90948945 38.90614677 2.36685067 -0.37539377 1.29614620 Zr 39.84537630 40.25254060 34.77841774 25.96987851 20.43266775 -29.90933484 Cu 41.99500498 41.05517807 36.36806500 -0.91509755 -42.73716730 51.11794045 Zr 41.98197581 42.05310611 35.23591902 -3.56340335 46.14741399 -56.37721927 Zr 43.54686762 43.68412477 35.90752751 2.85918052 2.97946077 2.09891342 Cu 42.43972545 39.64475098 37.48763196 48.06729672 0.66488084 -34.52464714 Cu 43.45955613 40.76194530 38.91201169 2.43530709 -1.81753460 0.31192549 Cu 39.44382383 42.15554429 36.98401249 16.04873265 -27.18014298 -3.86402270 Cu 41.60535711 43.28756613 38.91988825 -447.03504743 671.59126086 -213.18155887 Zr 35.18260870 35.45718749 39.94452641 -120.53042868 -74.08597645 -115.49665214 Zr 36.04637803 35.98287224 40.78610325 95.38480799 59.46802396 113.64102577 Cu 36.75429544 37.10525606 39.66219482 16.18106417 17.46410242 -16.34523259 Zr 38.72713023 38.43415617 40.93401673 -32.32529143 -39.55035468 29.40586336 Zr 37.03058845 35.50583118 42.38618923 -20.67003378 -11.53454649 -7.00992067 Cu 38.27719125 35.73059312 43.41375227 33.01451983 5.98626601 27.50069060 Zr 34.84712249 37.96782803 42.53142467 -21.22055828 -11.61605869 -10.68049997 Zr 36.37599884 38.82965861 43.25997635 7.60050509 -1.73188832 23.88753518 Zr 39.44132434 35.20060349 40.31301221 -5.95037960 -5.42721864 -4.84942772 Zr 40.88264827 36.28283765 41.71044858 48.19279424 -55.10301468 -37.13814269 Cu 42.66825160 37.46786518 40.28222307 -62.43031060 -40.62539390 -4.92879202 Zr 43.92369928 38.29508350 40.37338195 61.59649690 41.49359199 4.14643056 Zr 42.71159037 34.79269848 42.57111339 -0.06253529 -1.35073789 -1.74498981 Cu 43.56220896 36.29664776 43.99222318 0.14265999 2.00526662 0.85712459 Zr 40.11575364 37.34558632 42.47299524 -44.57584898 49.35255016 43.29462886 Zr 41.34040093 39.02898005 43.37715892 -219.96564731 -163.87575986 195.30860736 Cu 35.05657696 39.33865871 39.64150929 -10.73588798 9.92104390 18.17735601 Cu 36.49808462 41.52601414 41.00361119 -131.61931844 -4.29531105 72.68252606 Cu 37.66220996 41.56440652 40.35339339 130.47557329 3.46579067 -72.36731992 Zr 38.12111557 43.71490098 41.32701786 0.02475211 0.75502250 1.01816564 Cu 37.41619206 39.82195104 42.22261316 12.75523197 14.41121121 -12.24549188 Cu 38.36445830 41.19623889 43.89002107 0.41267271 0.37318220 -0.66637640 Cu 35.57065646 43.19253725 42.71057427 -43.92154923 -46.57802186 -78.23330221 Cu 36.19970714 43.85315043 43.81507203 44.84373355 46.31729964 77.42996596 Zr 39.50117672 39.50916108 40.01829091 28.39893226 39.71963971 -33.70969370 Zr 41.33335665 41.18772458 40.93959705 7.79285200 -16.05883895 -14.52252036 Zr 42.11232397 42.52631823 39.16114244 446.75853240 -665.96616254 208.40481762 Cu 43.61733613 43.09037789 41.62792378 -0.99167510 -0.12237134 -0.60846310 Zr 42.11062386 39.61434150 42.72436012 226.23600717 169.61478894 -190.44153029 Zr 44.13830160 41.38771595 43.36023967 -0.59628444 -0.10067338 -0.11114491 Zr 40.62231599 42.31862095 42.32275256 -9.82594585 12.31162342 15.49238687 Cu 41.01119474 43.69111377 43.95872332 0.64382552 1.80558911 2.22541193