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=400.75136733143785 stress="-0.004126278609267962 -0.0006357676973148722 0.000117634519215013 -0.0006357676973148722 -0.0036896829593443432 0.0006222672882083752 0.000117634519215013 0.0006222672882083752 -0.002566210920827558" free_energy=400.75136733143785 pbc="F F F" Zr 35.26751244 35.52136160 34.90267880 -1.37344653 -1.56896154 -1.44684012 Cu 36.56860671 36.79881500 36.11552624 -10.78403648 -10.32430746 19.08265713 Zr 37.47786702 37.67681620 34.87988405 12.59215288 11.35734781 -16.61764299 Cu 38.89801360 39.48558102 35.84829128 -26.56851973 -20.02851182 31.17750471 Cu 37.94775631 35.46667680 37.75575538 -60.99135579 -44.85532988 -27.27650111 Cu 39.07056416 36.30138129 38.25905976 60.44296881 45.92321357 25.86487951 Cu 34.92484837 37.70640243 38.21166221 -96.08482421 -82.27156363 -9.05439040 Zr 35.97630748 38.60459308 38.29327805 104.08573470 73.82240313 -12.58662192 Zr 40.02470472 34.94384435 35.12260393 -17.31923581 -9.66969872 -9.92202618 Zr 41.47108376 35.86992394 36.06094196 9.87925109 17.65763706 -0.90806349 Cu 42.66132015 37.52605128 34.93150076 -1.25760488 0.00929707 -3.29456358 Zr 43.72118770 38.27661118 36.68095516 5.35999303 -4.10644242 0.90898120 Zr 42.31129485 34.70452046 37.54070639 -0.59133550 -11.78057717 7.94860411 Zr 44.12170749 35.44312075 38.73436239 6.44861218 3.49880585 4.75571893 Cu 40.19582750 37.62986049 36.78883744 -0.36443449 2.11669755 0.35393378 Cu 41.24705666 39.57993469 38.44785551 -50.08871048 -3.04734129 39.82255077 Cu 34.78353308 40.16746169 35.79096638 0.34619381 -0.53304327 0.48691762 Cu 36.07875178 41.96297049 35.71576079 -51.78879443 -9.57168085 26.13565990 Zr 37.45284697 42.21855784 35.03005084 52.51273933 9.39956762 -25.25728106 Cu 38.78257764 43.69477129 36.92374601 -12.94380728 28.80232131 -0.76280473 Cu 37.53776017 40.32181618 38.32694924 -55.33235097 -54.08936220 -7.76994835 Cu 38.59508615 41.36457661 38.45353115 53.94831279 53.84567094 10.42599077 Cu 34.90937980 43.01631224 37.30236118 -1.39098107 -0.74498401 -1.35318932 Zr 36.20354957 43.90948945 38.90614677 2.36442077 -0.38720437 1.28826487 Zr 39.84537630 40.25254060 34.77841774 25.97419904 20.43484792 -29.90004634 Cu 41.99500498 41.05517807 36.36806500 -0.91689448 -42.72871701 51.10843762 Zr 41.98197581 42.05310611 35.23591902 -3.56670932 46.14554716 -56.37263955 Zr 43.54686762 43.68412477 35.90752751 2.85716027 2.97663694 2.10077051 Cu 42.43972545 39.64475098 37.48763196 48.06606580 0.65805530 -34.52217952 Cu 43.45955613 40.76194530 38.91201169 2.43175148 -1.80805380 0.32253916 Cu 39.44382383 42.15554429 36.98401249 16.05249119 -27.17679583 -3.87860640 Cu 41.60535711 43.28756613 38.91988825 -447.03505331 671.58917019 -213.17839694 Zr 35.18260870 35.45718749 39.94452641 -120.52176800 -74.07325907 -115.50243610 Zr 36.04637803 35.98287224 40.78610325 95.38585513 59.46968479 113.63876241 Cu 36.75429544 37.10525606 39.66219482 16.18133059 17.45657389 -16.33211781 Zr 38.72713023 38.43415617 40.93401673 -32.33794091 -39.54333075 29.40519770 Zr 37.03058845 35.50583118 42.38618923 -20.67025785 -11.53329529 -7.01208498 Cu 38.27719125 35.73059312 43.41375227 33.02083797 5.99278910 27.49271817 Zr 34.84712249 37.96782803 42.53142467 -21.21737855 -11.61321061 -10.68416150 Zr 36.37599884 38.82965861 43.25997635 7.60267542 -1.72916181 23.88621076 Zr 39.44132434 35.20060349 40.31301221 -5.95560408 -5.42047126 -4.86100402 Zr 40.88264827 36.28283765 41.71044858 48.19621419 -55.10013550 -37.14068274 Cu 42.66825160 37.46786518 40.28222307 -62.43683139 -40.63152825 -4.92262255 Zr 43.92369928 38.29508350 40.37338195 61.59433902 41.49831216 4.14249398 Zr 42.71159037 34.79269848 42.57111339 -0.05738983 -1.34158096 -1.73765789 Cu 43.56220896 36.29664776 43.99222318 0.13522070 1.99870655 0.84727307 Zr 40.11575364 37.34558632 42.47299524 -44.57944233 49.34856638 43.29652004 Zr 41.34040093 39.02898005 43.37715892 -219.96560990 -163.87668023 195.30853237 Cu 35.05657696 39.33865871 39.64150929 -10.73740496 9.92206857 18.18418571 Cu 36.49808462 41.52601414 41.00361119 -131.61618091 -4.28874082 72.67911241 Cu 37.66220996 41.56440652 40.35339339 130.48011190 3.47488616 -72.35815659 Zr 38.12111557 43.71490098 41.32701786 0.01475358 0.73920837 1.01818413 Cu 37.41619206 39.82195104 42.22261316 12.76363941 14.39465194 -12.25248781 Cu 38.36445830 41.19623889 43.89002107 0.41711885 0.37396547 -0.66760425 Cu 35.57065646 43.19253725 42.71057427 -43.91919023 -46.57537317 -78.23405736 Cu 36.19970714 43.85315043 43.81507203 44.84536472 46.31761089 77.42787761 Zr 39.50117672 39.50916108 40.01829091 28.39325846 39.72998802 -33.72437641 Zr 41.33335665 41.18772458 40.93959705 7.79669260 -16.05609998 -14.53163046 Zr 42.11232397 42.52631823 39.16114244 446.76554336 -665.98112060 208.40096020 Cu 43.61733613 43.09037789 41.62792378 -0.99700761 -0.13243073 -0.60555132 Zr 42.11062386 39.61434150 42.72436012 226.23683288 169.61320014 -190.44285184 Zr 44.13830160 41.38771595 43.36023967 -0.59811366 -0.09406862 -0.11704932 Zr 40.62231599 42.31862095 42.32275256 -9.82750686 12.31077754 15.49225855 Cu 41.01119474 43.69111377 43.95872332 0.64388590 1.80485349 2.22457727