108 Lattice="12.165582638149171 0.0 0.0 0.0 12.165582638149171 0.0 0.0 0.0 12.165582638149171" Properties=species:S:1:pos:R:3:forces:R:3 energy=-434.12133033001186 stress="-0.003580105865619548 -0.0008036592182976977 0.0010127823068598128 -0.0008036592182976977 -0.004366731810530893 -0.00013639408582967615 0.0010127823068598128 -0.00013639408582967615 -0.0042550786230179" free_energy=-434.12133033001186 pbc="F F F" Zr 0.05764361 0.04473062 0.01728650 0.09208559 0.05560444 -0.41478031 Cu 2.03633187 2.02288205 0.03004965 0.19217546 0.12377652 0.57809207 Zr 2.04767354 0.02630313 2.03201921 1.30805674 -0.64543330 0.00979857 Zr 0.03560002 1.99490865 2.05225960 -1.02952196 0.60376062 -0.82877009 Cu 4.07531803 0.01368162 0.02405902 -0.26034184 0.60568480 0.50027030 Zr 6.11188456 2.04109573 0.02793083 -0.74176581 -0.33328525 -0.35023657 Zr 6.05859541 0.01796304 2.06637964 -0.50587042 -0.75266462 -0.83216506 Cu 4.05511952 2.09620288 2.03151531 -0.42081886 -0.27431899 -0.78505061 Cu 8.06323309 0.01084808 0.03217375 0.16424130 0.62144305 0.62634881 Zr 10.13121140 2.02604455 0.03783793 -0.11810973 0.03539090 0.08657336 Zr 10.09897296 0.00864129 2.06205405 0.07601560 -0.51969240 -0.90930012 Cu 8.07615874 2.03047512 1.99564456 0.38946697 0.11480712 0.11640424 Cu 0.03493605 4.01981163 0.00337322 0.56813476 -0.19019069 0.61628886 Zr 2.06781513 6.05345617 0.03025695 -0.92010351 -0.49323565 -1.12965119 Cu 2.07535856 4.07918840 1.99244767 -0.36720313 -0.97062319 -0.94287605 Zr 0.01710700 6.09803285 2.02668906 -0.85354689 0.69100479 -0.62423920 Cu 4.03040884 4.03150527 0.00827635 0.21795403 -0.09428170 0.53486578 Zr 6.05185092 6.08349306 0.03562529 0.66352123 -0.04938147 -0.75326968 Cu 6.06734885 4.03379417 2.04321478 0.34584752 -0.30695709 -0.46600156 Zr 4.03925479 6.06344831 2.03392967 0.33413105 0.06674753 -0.29751572 Zr 8.07997547 4.04583371 0.01491390 0.57787150 0.08523673 0.06738383 Zr 10.15800234 6.07356689 0.01169572 -0.12566854 0.05310819 0.02437278 Cu 10.17284138 4.03018217 2.04228949 -0.43302372 -0.12256689 -0.27251425 Cu 8.09997829 6.01182712 2.01555667 0.04747486 0.08748307 0.02392608 Cu 0.00462207 8.07999903 0.03468172 0.76709663 0.28337276 0.59421740 Cu 2.06631945 10.13537662 0.02530290 0.00354777 -0.81718174 1.04529263 Cu 2.03411304 8.08380254 2.06065385 -0.37796049 1.12722154 -0.56443692 Zr 0.02541912 10.11508185 2.04938256 0.48359041 -1.00245911 -0.48526046 Zr 4.07737509 8.12191551 0.02481669 -0.64439906 1.73971020 -0.24533553 Zr 6.10263224 10.16487313 0.03147645 0.77502066 -0.39589961 0.80977058 Cu 6.07156621 8.07038980 2.06486352 0.30611909 0.92407433 -0.35578744 Cu 4.07740371 10.17544724 2.07577825 -0.33208409 -0.73465035 -0.29282370 Cu 8.04883070 8.07985177 0.03831723 0.08101966 0.21711443 0.62609197 Zr 10.13189425 10.11353018 0.03179345 -0.94915591 -0.47422881 0.42329997 Zr 10.16706206 8.07798687 2.01510610 0.14657235 0.34941480 -0.79677430 Cu 8.09746092 10.15241436 2.06045836 -0.02834337 -0.29394890 -0.45523235 Cu 0.00128290 0.03310670 4.06879939 0.42440088 0.31737002 -0.04525697 Zr 2.02825857 2.03877528 4.04884126 0.62827615 -1.92943098 -0.53988035 Cu 2.05010782 0.00650966 6.12724683 -0.05988542 -0.11096695 -0.26292771 Zr 0.00882670 2.04707413 6.04617619 -1.74628372 -1.43817125 -0.45485703 Cu 4.10293940 0.01016576 4.08611960 -0.18409684 0.06380945 -0.05193055 Zr 6.03066862 2.01225763 4.06149370 0.38809497 0.25193785 -0.58852700 Cu 6.01280274 0.05876354 6.15290985 0.34614875 -0.22043482 -0.12846763 Zr 4.03525772 2.02302271 6.05633408 0.46174944 -1.44185858 1.04568851 Zr 8.17241683 0.03997884 4.02237099 -0.45282970 -1.81887395 0.71075906 Zr 10.11413151 2.00839216 4.08422253 1.14256542 1.55306487 -0.21459040 Cu 10.17609488 0.02564816 6.10185620 -0.60571999 0.50527031 0.10202660 Zr 8.10834896 2.02559253 6.07018371 0.98943711 -0.40550185 0.80771541 Zr 0.02628451 4.03133088 4.01965908 -1.73553106 0.87728278 0.02249901 Zr 2.05312159 6.10781071 4.02473843 -0.59315112 1.92328320 0.90193439 Zr 2.05594930 4.07197068 6.05364656 0.53306329 1.38918627 0.95294482 Cu 0.06852701 6.10626872 6.06000823 -0.12170572 0.37679230 -0.14483549 Zr 4.07701811 4.07900502 4.01781279 0.33458335 -0.28465247 -0.46793230 Zr 6.10055532 6.10736842 4.09212927 0.01001978 -0.08835061 -0.35430827 Cu 6.13099282 4.04660489 6.04438751 -0.46297967 0.31696590 0.60618390 Cu 4.04710067 6.09605807 6.07169657 0.67661893 0.31448407 0.24198097 Cu 8.07377211 4.07162250 4.06563848 0.29348215 -0.18368114 -0.29608708 Zr 10.17070170 6.04252349 4.01768488 0.87615044 -1.71476739 -0.41493296 Cu 10.16210949 4.04912545 6.06656453 -0.29335197 0.08175041 0.53989174 Zr 8.09517168 6.05521227 6.12016267 0.17382760 -0.21798663 0.90286236 Cu 0.03740446 8.13052610 4.02964002 0.42095098 0.25455185 0.26581126 Zr 2.03631566 10.10646138 4.03747920 0.51357045 -0.57428247 0.67696701 Cu 2.02903327 8.09081748 6.10660010 -0.23154272 0.51520210 -0.42370531 Cu 0.04037999 10.16542653 6.06555533 0.52665704 -0.59998342 -0.29593139 Cu 4.08256474 8.08314085 4.01553997 -0.01805771 0.63198165 0.34270798 Zr 6.06703079 10.11755718 4.08981398 -0.43831406 0.14568399 -0.19242581 Cu 6.09085890 8.07834838 6.05748788 -0.03064416 0.67306373 0.76928494 Cu 4.03697653 10.14484166 6.09083023 0.02731526 -0.66238039 0.23277008 Zr 8.12481847 8.11707508 4.02268451 -0.77421470 0.88070940 -0.64217770 Zr 10.10441239 10.15336064 4.06272565 0.18282171 1.11101119 0.12308356 Zr 10.14470736 8.06627919 6.11743696 0.81732885 0.25836807 0.86573622 Cu 8.08581894 10.15138527 6.10838892 -0.09550417 -0.73407033 0.46286723 Zr 0.02941123 0.03283805 8.07579051 -0.57457974 -0.38903972 0.08358100 Zr 2.02121855 1.99290801 8.08964423 0.40984955 -0.55814486 0.45796949 Zr 1.98211842 0.01253203 10.14702017 -0.00642984 -0.23318306 0.53583499 Cu 0.00234203 2.04049435 10.14473021 0.46902641 -0.06611958 -0.44124044 Cu 4.02350858 0.00912689 8.12656079 0.18791397 0.01878465 0.09164082 Zr 6.08289018 2.01722555 8.12158698 0.09178090 -1.01596491 1.05486031 Cu 6.04214274 0.00870242 10.15434182 0.11840158 0.64226338 -0.63774570 Zr 4.08285218 2.00935463 10.11746411 0.89100017 0.02415968 0.90360210 Cu 8.14734597 0.00038412 8.13331864 0.31023020 0.98562278 0.28640351 Cu 10.12528076 2.06214207 8.15708537 -0.94203922 -0.38889397 0.14393459 Cu 10.11823509 0.03495328 10.12684114 -0.70583657 0.92984239 -0.67887665 Cu 8.08151577 2.02689781 10.13463829 0.27684671 -0.21087814 -0.87822131 Zr 0.03035936 4.08976374 8.10839506 -2.63565044 -0.57912125 -0.25975020 Zr 2.03607283 6.05493264 8.12807219 1.16471348 0.86295329 -0.56523280 Zr 2.02875769 4.07771139 10.09787438 0.68113217 -0.54598418 1.68711838 Zr 0.02200627 6.06960449 10.10064844 -1.06191626 0.70503158 1.42372779 Cu 4.08712220 4.04540192 8.11463616 0.77129698 0.84573372 0.24867814 Cu 6.10826411 6.04212915 8.09964596 -0.33808590 0.26377536 0.36116102 Cu 6.12135557 4.06492829 10.15977738 0.21152950 0.03682754 -0.55304141 Cu 4.06453371 6.01454137 10.15315862 0.31619433 0.26085240 -0.60939074 Zr 8.08218395 4.05124268 8.07001016 0.96253792 0.54115431 1.71795785 Cu 10.17645253 6.12996769 8.11458000 -0.92161057 -0.17373029 0.42413722 Zr 10.17196618 4.03426313 10.16973006 -0.85751285 -0.06141658 -0.81967991 Cu 8.12141048 6.05339897 10.13580791 0.12100690 0.12499538 -0.95195107 Zr 0.03087786 8.13261747 8.12118945 -0.79817346 0.56557955 -0.56783209 Zr 1.99219487 10.15620517 8.09132893 -0.55718259 0.68137167 -0.31984318 Cu 1.99135540 8.07562430 10.10360303 0.16298211 0.33159169 0.06841315 Cu 0.01146704 10.13753578 10.12133393 0.66332622 -0.57285746 -0.51604263 Zr 4.02040601 8.09706912 8.10750475 1.30474899 -0.31469782 -0.16411297 Cu 6.05378452 10.13425101 8.12004259 0.08720341 -0.88944549 -0.10513259 Cu 6.04395038 8.05153948 10.10038794 0.30280563 0.21395931 -0.69059931 Zr 4.02575731 10.15696447 10.10445286 0.70306099 -0.16301928 0.24906879 Cu 8.11409373 8.06233439 8.14279353 -0.26761249 0.02203843 0.55300091 Zr 10.10642226 10.11902650 8.08589019 -0.29574363 -0.22997630 0.08771534 Cu 10.11519892 8.15221533 10.16175542 -0.80244036 -0.03354086 -0.86948608 Zr 8.11985859 10.15861309 10.12210780 -0.79804982 -0.96085561 -0.68654356