108 Lattice="12.087573230426251 0.0 0.0 0.0 12.087573230426251 0.0 0.0 0.0 12.087573230426251" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.480386257381 stress="-0.0038841709710443115 0.0014729351268087925 -0.0003843311316167261 0.0014729351268087925 -0.007602811862264881 0.00017159918578584096 -0.0003843311316167261 0.00017159918578584096 -0.007613445633215258" free_energy=-443.480386257381 pbc="F F F" Zr 0.03478290 0.02728175 0.03749968 -0.04948115 -0.42861714 -0.10090865 Zr 2.04236855 2.04071840 0.02851528 1.23775218 -1.04995325 -0.34633453 Cu 1.99335551 0.02168509 1.98597284 0.49300094 0.56245040 0.46638707 Zr 0.03386701 1.99016599 2.04622352 -0.32830473 -0.72570070 1.26068570 Cu 4.02065947 0.00795591 0.00201583 -0.06409692 0.93221799 0.87185429 Cu 5.98738320 2.04699758 0.03063201 0.13033705 -0.59432962 0.61552593 Zr 6.02404414 0.02131073 2.02614064 0.31907243 0.95926487 -0.15337485 Cu 4.06607711 2.01078579 2.03548892 -0.40276517 -0.50284389 0.26202971 Cu 8.03724137 0.03028691 0.02514282 -0.03436393 0.81425230 0.72357330 Zr 10.05294713 1.93753599 0.04788942 -0.20169283 0.22184275 0.05357417 Zr 10.06936574 0.02167909 1.99469085 -1.04671020 0.25677187 0.81477451 Cu 8.02797548 1.99691192 1.99005403 0.21285440 -0.46058637 0.28905004 Zr 0.02896946 4.00124913 0.02713789 -0.04610939 1.15561869 0.10200470 Cu 2.02946579 6.01126359 0.02144142 -0.18778004 0.26137715 0.99718162 Cu 2.01342587 4.06423386 2.01400032 0.53563960 0.03493522 0.04300506 Cu 0.02348844 6.07498563 2.04424185 0.72519577 0.06365923 -0.40740430 Zr 4.02588376 3.99812847 0.01721836 0.13145508 0.91411071 -0.34164829 Cu 6.02697804 6.05454063 0.00781397 -0.05304684 0.33163822 0.48818984 Zr 6.01836043 4.02941042 2.03005012 -1.26115414 -1.34029163 -0.15805806 Cu 4.02165946 6.00970101 2.01570954 -0.42196881 0.34803450 -0.52328406 Zr 8.09187110 4.01406953 0.03693198 -0.26834318 0.00553857 -0.80834372 Cu 10.08436449 6.02342857 0.01628118 -0.67602668 0.24605779 0.84947897 Cu 10.00625885 4.05572364 1.99264413 -0.09075316 -0.55089022 -0.06800545 Zr 8.06082409 6.02815484 2.04242912 1.35175319 1.71067711 -1.89028362 Cu 0.01925371 8.05948112 0.00933949 1.06970276 -0.10101850 1.23218873 Cu 2.00464186 10.11254956 0.02504955 -0.01969735 -1.09466525 0.94111232 Cu 1.96911675 8.02790790 2.05139016 -0.06733987 0.39821243 -1.02522839 Cu 0.03853539 10.07059118 2.01765899 1.08039528 -0.96000765 -0.15556763 Cu 4.02450455 7.99294926 0.01981764 -0.35365965 -0.03099611 0.80286588 Zr 6.02151550 10.05947336 0.00394400 0.96836261 -0.21789876 -0.36536050 Zr 6.03782490 8.07360070 1.99023578 0.80091954 -0.11562349 -0.81439882 Zr 4.02571466 10.10730190 2.06597327 -1.45012090 0.70434407 -0.29830742 Cu 8.08255550 8.02892233 0.02284297 0.41979347 0.19732890 0.63401792 Zr 10.10703113 10.07673532 0.03371805 -1.63425006 -1.21581834 1.19092618 Cu 10.09468967 8.03480994 1.99260079 -0.98875506 0.54308716 -0.24083238 Cu 8.03098046 10.04619739 2.07308175 0.43023211 -0.80468318 -0.32654051 Cu 0.02918269 0.00221315 4.07322184 0.79747896 0.91668380 -0.17232367 Cu 2.03290762 1.97728610 4.02915670 0.17969134 0.01480843 0.13746562 Zr 2.05120450 0.01087275 6.04792041 -0.97759166 -0.12583921 -1.39539729 Cu 0.01254573 2.04790927 6.05445077 0.76971609 -0.11214848 -0.11038204 Cu 4.03625764 0.03299680 4.03122147 0.01099329 0.87103675 0.02749560 Cu 6.07778317 2.01708544 4.08755223 -0.72124606 -0.81998067 -0.36155102 Cu 6.01205485 0.02447044 6.07676439 0.00915377 0.66270147 -0.55147400 Cu 4.04384392 1.96977184 6.04296491 -0.00652140 0.34701256 -0.58982853 Cu 8.11095215 0.00377276 4.01328883 -0.05954268 0.90390197 0.01706668 Cu 10.04980430 2.04661963 4.04914554 -0.37806825 -0.51599574 -0.38618845 Cu 10.06981470 0.03668058 6.05670720 -0.69078968 0.56706763 -0.25894986 Zr 8.09061535 2.05415696 6.01923412 -0.26778158 -3.35183523 -1.39540426 Zr 0.03150756 4.03833567 4.01444477 -0.49514967 -0.88070073 0.02523842 Zr 1.98089525 6.00779522 4.05028211 1.26499755 -0.29041306 -1.56452533 Cu 2.00523113 4.04585188 6.11337549 0.22295488 -0.63724372 -0.08049247 Zr 0.01165465 6.07237324 6.00760645 -0.51011746 -0.85827110 1.68804944 Cu 4.03659457 4.03766220 4.04200972 -0.70082112 -0.65260118 -0.42302372 Zr 6.08304884 6.02932388 4.06789069 -1.07683584 0.17818129 -1.17865637 Zr 6.04109795 4.06203093 6.00917575 -2.25482053 -1.00769941 0.44988325 Zr 4.01647626 6.08110831 6.07071903 -1.60352256 -0.80609490 1.89530628 Zr 8.05233917 4.04955445 4.05379432 0.97182915 -2.50574435 -1.71740716 Zr 10.08191254 6.01105512 4.01438615 1.69918999 0.95945237 -1.20912688 Zr 10.08607524 4.03686536 6.02626897 2.58682656 0.15596284 0.16260141 Zr 8.07570353 6.07545925 6.06807371 0.36665513 0.48088222 0.75248872 Zr 0.04001713 8.07665436 4.06188383 -0.05780488 1.49188436 -0.67714184 Cu 2.00586377 10.07426986 3.99243080 -0.38548870 -0.70699972 0.09673217 Cu 2.05041973 8.06132681 6.09012978 -0.22812864 0.35647712 0.11364205 Cu 0.02036788 10.06697319 6.03968851 0.79889519 -0.63944651 0.03891252 Zr 4.06863206 8.05474539 4.01452598 -1.78576388 0.61274682 -0.77943988 Cu 6.02948287 10.07354246 4.03893132 0.52709887 -0.03529754 -0.49516407 Zr 6.05378635 8.04128806 5.98872734 -0.06259642 0.45244481 0.38891049 Zr 4.06390963 10.07485565 6.01175609 -0.80398382 1.20798312 -0.73469306 Cu 8.02984907 8.07246355 4.04622104 0.76620090 0.97617142 -0.89149703 Cu 10.05733273 10.08144284 3.99385409 -0.63922681 -0.78215083 -0.29474447 Zr 10.07583011 8.10872483 6.05140356 1.92088993 -0.33165561 -0.98048243 Zr 8.05392479 10.10888313 6.05377453 0.01272416 1.86627169 -2.11042721 Cu 0.02331518 0.00332865 8.07639113 0.87984359 0.89811718 0.05773269 Zr 2.04169192 2.01581283 8.03102222 -1.78505041 1.33207512 0.45836438 Cu 1.98540199 0.01005205 10.07192427 -0.16782471 0.71427192 -0.79431339 Cu 0.01315936 2.00088622 10.04925159 1.01812611 0.04101548 -0.92183076 Zr 4.02568369 0.03285052 8.07175114 0.09917874 -2.04567471 -0.55054191 Zr 6.02743986 2.02807961 8.09472326 -0.30726773 -0.05244121 -1.07509916 Zr 6.06749221 0.01940605 10.06829194 0.82261895 -1.43311466 0.89223674 Zr 4.03564826 2.05453517 10.07936685 -0.78538177 1.13211852 1.82291865 Cu 8.06454392 0.03299455 8.04825725 0.04444523 -0.01083473 -0.26519758 Zr 10.03317127 2.00528689 7.99402437 1.76994733 -0.66651999 0.44516977 Zr 10.10960833 0.00818096 10.02113693 -0.36412550 -0.41458771 -0.07928645 Zr 8.08691438 2.00691120 10.10586792 0.04412064 0.67634951 1.67076720 Cu 0.01854285 4.02732885 7.99502340 0.76814662 0.08189379 0.32294167 Cu 2.03239441 6.01061089 8.04395883 -0.13967956 -0.46942548 0.46293804 Cu 1.96624341 4.01618217 10.08789074 -0.10538285 0.32093320 -0.95787034 Cu 0.03260535 5.97864786 10.04883334 0.76075725 0.02662814 -0.87917030 Cu 4.03834124 4.03373208 8.03353723 -0.39920271 0.30011310 0.51987926 Cu 6.02759906 6.05215235 8.04800268 -0.95218273 -0.47112914 0.84613871 Cu 6.05459943 4.00547788 10.06374688 -0.43335477 0.58035405 -0.31042626 Cu 4.03303041 6.06800802 10.08513595 0.00314316 -0.43698538 -0.99891623 Zr 8.01766550 4.00699673 8.05797274 0.28349468 1.65250985 1.62515680 Cu 10.05697255 6.02604309 8.02906002 0.44037898 -0.14432637 0.50638625 Cu 10.06423038 4.02375612 10.10067667 -0.28870915 0.07989531 -0.64111598 Zr 8.09102442 6.02064474 10.10284504 0.14374616 -1.28744095 0.92232172 Zr 0.00762777 8.04670267 8.06063612 -0.89103488 -0.49336611 -0.58190037 Zr 2.07282009 10.07607782 8.05841682 -0.21993741 1.12468161 -1.29862333 Zr 2.03024091 8.01979601 10.03863724 0.58132701 -1.88785123 1.01710777 Zr 0.02666963 10.06757591 10.05819396 -0.43562306 0.67218728 0.70192567 Cu 4.03630657 8.09656537 8.10134912 -0.34086007 -0.92701031 -0.13491570 Zr 6.05973057 10.06964745 8.02935081 -0.74720853 1.80560840 0.21426165 Zr 6.04767735 8.02614783 10.06122863 -1.45348899 -1.27464431 1.16471921 Zr 4.04032192 10.08060889 10.08902859 -0.00177015 0.93979044 0.92698355 Zr 8.05776291 8.04907657 8.04844248 -0.01880441 -1.35616240 0.29593342 Zr 10.07263747 10.03363715 8.01566822 1.37704717 1.74895882 0.31977514 Zr 10.07281287 8.09815423 10.05198711 1.35076520 -0.85126654 0.78040691 Zr 8.02300608 10.03907506 10.09958386 -0.00973790 1.66623100 1.46512613