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=174.2318700311393 stress="-0.0035592935187671285 1.561895747983787e-05 -0.00041511724150282463 1.561895747983787e-05 -0.0030565363288863907 0.00013434879752703054 -0.00041511724150282463 0.00013434879752703054 -0.0029251650813960288" pbc="F F F" Zr 35.17095038 34.82507085 34.71607199 0.62436299 0.33389011 0.80470638 Zr 36.56627246 36.30966510 36.60760404 1.11016405 -5.01736383 -8.24157155 Zr 37.96522721 37.25439459 35.30820902 -22.86429274 -71.52079395 -42.31983330 Zr 38.46963622 38.55539633 35.85320685 24.89981153 72.18792757 32.92177963 Zr 37.11747664 34.60433959 37.77381777 3.95893366 -12.20769861 5.90750991 Zr 38.82550802 36.17010011 38.95988817 -58.12351601 30.61447158 -40.69169487 Zr 35.11271949 37.29914561 37.57815043 -14.79942420 8.71925229 7.70556973 Zr 35.71859452 39.35332053 38.79623285 0.04814900 -9.69354856 -14.52552196 Zr 39.60112862 35.29785791 35.15823011 -12.66288631 -10.23475222 -5.27788099 Zr 41.19751650 36.40845514 35.88921942 -3.98618133 -19.30678669 32.63247925 Zr 41.84608841 37.52048984 34.74380690 16.11039741 26.89319344 -29.86398491 Zr 43.40102920 39.54327876 35.76927222 31.80682293 -3.14133951 -23.87952148 Zr 42.36230136 35.25156541 37.74673192 -6.44167862 -12.76598308 -7.54630789 Zr 43.35694090 36.75611385 38.81343399 32.93096750 -5.68766338 -34.23417763 Zr 40.12996245 37.94332522 37.79863537 -8.69497708 -11.32119525 -8.52546790 Zr 41.34929664 39.37768299 38.74182058 13.45053333 10.17580661 9.87186232 Zr 35.05165555 40.69124454 35.11944526 -19.65722966 -1.67824549 -23.58302407 Zr 36.22180826 40.77038785 36.53966064 -3.18291919 12.33468534 5.89123185 Zr 37.79064474 42.08450269 34.86138651 0.68695647 -0.09162073 -1.37433528 Zr 38.37966459 43.73412852 36.77108682 -0.06456351 2.24252252 -0.91947652 Zr 37.59411349 40.05836878 37.56820920 18.16437334 -16.76826950 5.25962673 Zr 38.69046025 41.28640482 39.00032572 42.28579442 -40.46538274 -17.55282683 Zr 35.22251000 42.74364830 37.89090109 -41.94989324 -39.66788635 -20.41857026 Zr 36.30800575 43.80517182 38.43842517 38.49912588 42.28147460 19.76815320 Zr 40.05325666 39.93450067 34.91618018 -16.08855835 -1.90127314 -15.83069092 Zr 41.64927955 40.49005138 35.79299501 -3.01614454 17.90741196 7.24370786 Zr 42.81822390 42.45895876 35.34838244 -5.30349866 -20.93514612 -15.08693577 Zr 43.29405534 44.02109014 36.18124647 8.34181793 26.51245744 14.74832744 Zr 42.56754574 39.10377605 37.40284988 14.78979838 -14.60797876 5.18705958 Zr 44.05281345 41.29096041 39.28858376 22.16430200 -24.92785999 -3.25278623 Zr 39.92293429 42.01136288 37.69919299 17.47862396 8.54293808 -18.32638371 Zr 41.37950854 43.90051504 38.43308876 -8.77179965 8.82195120 -4.47667990 Zr 35.01423779 35.08470830 39.25427649 -0.80529013 -0.14411446 1.15162315 Zr 36.70906900 35.83604388 41.71914856 -99.72443819 46.68512168 -43.98879002 Zr 37.58683335 37.44774168 40.43579195 -20.40587260 -8.03791683 -8.83199473 Zr 38.87932333 38.75842636 40.80991366 -0.56457504 -13.62955631 22.68397632 Zr 37.79763519 35.13920620 42.23960379 85.48430958 -81.49670684 13.49975439 Zr 38.53929439 35.68074875 43.70591358 17.14573360 11.53560062 39.27550439 Zr 35.37054360 37.46545013 41.70178773 -11.91095583 11.07965656 0.04266956 Zr 36.40766757 38.74951669 43.91068866 0.14235911 -0.69210721 1.48999074 Zr 39.99942435 35.46366766 39.64764578 51.42301300 -45.55701202 29.21800201 Zr 41.54368674 36.47025637 40.76725030 -71.67956675 -60.46502717 52.56412953 Zr 42.56538150 37.29482210 40.19533077 59.65924407 80.06639618 -3.26207379 Zr 43.84490552 39.37699782 40.79421476 2.71662902 -1.19987070 1.60806551 Zr 42.25734110 34.74859303 42.71857055 -3.73980126 -4.91957222 -1.35873165 Zr 43.63620389 36.47060691 43.48884185 2.95652679 5.24271368 1.25125934 Zr 40.02698724 37.17953345 42.56317802 -9.56150422 -13.87204216 -17.57225519 Zr 40.80658407 38.27745244 43.87488659 11.74172906 14.69805428 20.22655210 Zr 35.21948410 40.13681070 40.54406155 -29.20846470 -2.09257863 5.94080550 Zr 36.74566835 40.89269776 41.37884593 -54.99530925 69.72258670 -34.86749576 Zr 37.63629877 42.17536678 39.63986266 -60.70811750 45.69178002 24.22125871 Zr 38.50553291 43.47962417 41.13363914 -2.71526244 16.13626280 3.65478229 Zr 37.71099147 40.07186071 42.07750744 60.46388976 -55.63265223 59.04204078 Zr 39.46083297 40.81821225 43.41958417 -3.28631680 -13.15101206 20.33623207 Zr 34.83798406 42.10198012 42.70212337 -3.64284728 -1.66700410 -0.57162896 Zr 36.53200144 43.51282447 43.59488844 3.55940480 1.67495144 1.12003124 Zr 39.94242952 39.73512663 39.86147655 10.64168176 21.47963164 1.53343411 Zr 41.56578688 41.01412584 41.46975669 -28.70317915 61.77766233 -107.54952383 Zr 42.91129811 42.68794792 39.34156948 -17.28388863 14.16923284 -1.20310655 Zr 44.01921779 43.79846125 40.95626655 4.13105886 4.49883845 7.99273357 Zr 42.00053342 40.28144579 42.58017368 35.39511607 -73.11911863 99.32931216 Zr 43.67255128 41.36596658 43.63324576 7.69496465 5.31307151 4.30359650 Zr 39.98666323 42.27111732 42.19852562 -2.69968260 13.10367719 -9.68988125 Zr 41.19321495 43.61586357 43.47009213 6.73604055 7.17385880 6.39538585