108 Lattice="10.603629147422044 0.0 0.0 0.0 10.603629147422044 0.0 0.0 0.0 10.603629147422044" Properties=species:S:1:pos:R:3:forces:R:3 energy=-322.23561911116997 stress="-0.007530297328658764 0.0005524882871847008 -0.0002677172025445124 0.0005524882871847008 -0.007517675621305876 0.0001527558453211618 -0.0002677172025445124 0.0001527558453211618 -0.007476112861237374" free_energy=-322.23561911116997 pbc="F F F" Cu 0.02850686 0.00944143 0.00869097 0.30972639 0.23267997 0.29449271 Cu 1.73385787 1.76484623 0.02305356 0.36755400 -0.04468472 -0.36796088 Cu 1.73331807 0.00155000 1.80149605 0.21304014 -0.40145376 -0.22789351 Cu 0.02746510 1.73457598 1.73455901 -0.43961784 0.18492334 0.23520785 Cu 3.54884782 0.00325633 0.03178285 -0.20520992 0.11137347 0.08517390 Cu 5.31046932 1.77151320 0.02371195 -0.18069166 -0.08758407 -0.35668200 Cu 5.30756081 0.02583974 1.76928694 0.17213944 -0.61040085 -0.08282091 Cu 3.52857131 1.73982245 1.77231446 -0.16436917 0.25058796 -0.32179335 Cu 7.10455565 0.03053195 0.01009173 -0.17329640 0.13893516 0.11325291 Cu 8.86003491 1.77105552 0.01207560 -0.22444216 0.14532757 0.27634731 Cu 8.83361708 0.01729465 1.76556715 -0.10952141 0.04602565 0.06496116 Cu 7.05844079 1.74108655 1.79056427 0.08639549 0.25690974 -0.25340218 Cu 0.02812181 3.55621146 0.04383909 -0.16855269 -0.10433846 0.00156895 Cu 1.74078408 5.28048945 0.02972361 0.29594675 0.46555794 -0.47334002 Cu 1.79687048 3.56562493 1.73848441 -0.19206539 -0.28704222 0.36848776 Cu 0.03289735 5.32670270 1.79706620 -0.57797077 -0.16285634 -0.10271921 Cu 3.51738123 3.55512845 0.00901585 0.05333017 -0.28039727 -0.46470911 Cu 5.30336669 5.28823109 0.01187227 0.23808360 0.12481327 -0.53444268 Cu 5.27473575 3.56210221 1.74998887 0.14730451 -0.32317093 0.23395702 Cu 3.56703401 5.32563161 1.74589364 -0.37661459 0.09155084 0.40967011 Cu 7.03578867 3.47386066 0.02070666 0.35556924 0.32726191 -0.17989966 Cu 8.81062415 5.32595135 0.03272765 -0.24507746 -0.10804642 0.08910858 Cu 8.83208533 3.54789175 1.78422074 0.11486207 0.01169662 -0.17208494 Cu 7.03742421 5.33621214 1.79360746 0.29213835 -0.36084412 -0.25394251 Cu 0.00211296 7.03150406 0.00450967 0.20768362 0.14361242 0.24520740 Cu 1.79744523 8.80690904 0.00520227 -0.01927220 -0.24299344 0.27847967 Cu 1.74846865 7.08275972 1.79035710 0.41028095 0.14536908 -0.30935894 Cu 0.00707761 8.84380330 1.78761456 0.24030452 -0.23197950 -0.08175798 Cu 3.57671924 7.06288987 0.01480000 -0.26932856 0.10017741 -0.22674645 Cu 5.33666195 8.81999521 0.00962922 -0.12831426 -0.00715458 0.15775472 Cu 5.30675324 7.05285881 1.79563423 -0.17541389 0.27238359 -0.15853362 Cu 3.55917523 8.86294981 1.79384791 -0.04020637 0.12150358 -0.10183001 Cu 7.05148052 7.09493812 0.02399249 0.17486984 -0.11066138 -0.34155383 Cu 8.86051743 8.83568350 0.02631610 -0.55230864 -0.50578295 0.52211407 Cu 8.80340326 7.06320897 1.78108092 0.42166932 0.10385516 0.04123586 Cu 7.05997407 8.80386626 1.79555702 0.15700260 0.57531697 -0.29077202 Cu 0.00660875 0.00272600 3.54651582 0.01341454 0.20723041 0.00640365 Cu 1.77674015 1.77622742 3.51939831 -0.27540178 -0.02774518 0.07603392 Cu 1.74442002 0.00893746 5.29761787 0.26529970 -0.28810510 0.13149971 Cu 0.03440734 1.76018639 5.35384053 -0.39650307 0.13052597 -0.18613586 Cu 3.53755196 0.00441485 3.50263266 -0.25751646 -0.58216654 0.09100595 Cu 5.26671508 1.73586243 3.50475901 0.35352338 0.47532563 0.16896353 Cu 5.26852267 0.03481568 5.27458123 0.21981149 -0.53831709 0.20950794 Cu 3.52083988 1.75570289 5.25892503 -0.24869808 0.08468099 0.35854345 Cu 7.08378583 0.03409110 3.56335059 -0.08216543 -0.52945637 -0.10075421 Cu 8.81308124 1.76527457 3.48602984 0.45220591 0.06049295 0.27406445 Cu 8.85648033 0.00390258 5.30667773 -0.10335777 0.21504364 0.07136331 Cu 7.08910355 1.74343885 5.32510160 -0.15974341 0.19851103 -0.07416684 Cu 0.00093131 3.49204275 3.49291774 -0.20599729 -0.00312415 0.07461452 Cu 1.73727297 5.32683511 3.54391117 0.47039189 -0.27926104 -0.12197156 Cu 1.74876621 3.55583384 5.33459267 0.08826656 -0.36790140 -0.43947323 Cu 0.00104648 5.26671586 5.27080149 -0.47535549 0.24908155 0.16169023 Cu 3.50394671 3.52617603 3.50319809 0.15599209 0.21504650 0.16920307 Cu 5.33084895 5.28763894 3.58325968 -0.43401846 0.02828173 -0.22377995 Cu 5.28427680 3.49284237 5.32513837 0.01113478 0.01386075 -0.11268679 Cu 3.51376838 5.27497140 5.30082180 0.14141336 0.16063341 -0.04317284 Cu 7.04048731 3.52939590 3.51131059 0.08562927 -0.22988971 0.16843901 Cu 8.81890466 5.28742642 3.56764886 0.20459174 0.14870110 -0.09384295 Cu 8.82533378 3.49035755 5.29080106 0.23890481 0.08918647 0.10783330 Cu 7.04723649 5.27629105 5.31558289 0.15082107 0.20926167 -0.11947955 Cu 0.03199378 7.06155428 3.51688662 -0.59341548 0.29613804 0.22478129 Cu 1.76882116 8.86024992 3.55886857 -0.09398145 0.26091529 -0.23125819 Cu 1.74481375 7.07361422 5.29837925 0.16203337 -0.16659530 0.10249131 Cu 0.03453659 8.81880984 5.33063154 -0.10318420 0.04273134 -0.14063062 Cu 3.54410591 7.10382040 3.53552145 -0.19721455 -0.35182633 -0.16577942 Cu 5.35232140 8.83957571 3.56867339 -0.35189325 0.59509171 -0.25434987 Cu 5.26959434 7.08868376 5.27214595 0.29650315 -0.16459759 0.39208078 Cu 3.51493167 8.81928849 5.26693839 0.11979788 0.55147316 0.27167663 Cu 7.03838466 7.10032039 3.51016265 0.53534625 -0.34422471 0.56471277 Cu 8.82766721 8.86821269 3.53650014 -0.15868293 -0.28434292 0.03628543 Cu 8.84429250 7.05451827 5.32705606 0.05054293 0.24521719 -0.26026009 Cu 7.05891633 8.82557582 5.30195528 0.26648131 0.20612168 0.27491507 Cu 0.01967109 0.00259805 7.09690447 0.14955572 0.06094538 -0.16710749 Cu 1.77283101 1.79571982 7.08985566 0.08653273 -0.45261888 -0.24642331 Cu 1.78515626 0.01819885 8.81487297 -0.03840078 0.10459364 -0.03452602 Cu 0.00220745 1.77986739 8.77371671 0.07404126 0.06016762 0.06268409 Cu 3.54480939 0.01619091 7.09872591 -0.24297212 -0.41141762 -0.32441010 Cu 5.26707823 1.72833107 7.06756209 0.31190834 0.36205932 0.06008684 Cu 5.29868595 0.04627562 8.84485232 0.14069549 -0.20436495 0.02675707 Cu 3.54865051 1.73248076 8.85384858 -0.13711829 0.27104647 0.39814466 Cu 7.08470253 0.02060941 7.08545683 -0.04083833 -0.37662853 -0.07805110 Cu 8.84074501 1.77447584 7.09921650 0.20431261 0.03936350 0.04036316 Cu 8.85480002 0.00310824 8.83274501 -0.43677385 0.43431886 -0.42628340 Cu 7.06750784 1.73978625 8.83564105 0.09842723 0.35839729 0.20938155 Cu 0.01821558 3.56922309 7.08576925 -0.53085835 -0.12894081 -0.06891368 Cu 1.76723971 5.27901180 7.05787216 -0.07850406 0.48101572 0.13802659 Cu 1.79334859 3.51372476 8.80137745 -0.16013211 0.12038022 0.69737772 Cu 0.00792175 5.30503313 8.83006395 0.14073112 0.05138164 -0.08591433 Cu 3.50395949 3.50566093 7.08778554 0.43564762 0.04828254 -0.23653101 Cu 5.30428390 5.32642191 7.07646638 -0.23932425 -0.25949831 -0.25163314 Cu 5.25882847 3.55110432 8.84045335 0.25071301 -0.28574744 0.24877990 Cu 3.53922772 5.29178678 8.80435561 -0.21235109 0.21241847 0.41936434 Cu 7.03606326 3.54757654 7.08028525 0.28875877 -0.39051532 0.13307369 Cu 8.81037478 5.33027004 7.03646338 0.39440250 -0.31396331 0.25168596 Cu 8.87069723 3.55622082 8.86562652 -0.35958315 -0.06109491 -0.36542715 Cu 7.06192299 5.28758271 8.80627718 0.14837789 0.13016359 0.49063494 Cu 0.00903519 7.09225785 7.06877513 -0.23796284 -0.16290914 0.11075643 Cu 1.78641421 8.84178713 7.04286350 -0.06744011 0.20845075 0.33753001 Cu 1.75111282 7.06021346 8.81595425 0.09287508 0.12471519 0.16110218 Cu 0.00195189 8.84238539 8.86800666 0.57440579 -0.51881317 -0.59631329 Cu 3.54241950 7.06555208 7.04046417 -0.20670876 0.12093976 0.15463670 Cu 5.29953612 8.86196774 7.07512202 0.01023845 0.10543465 -0.05059865 Cu 5.28166050 7.06138685 8.81697749 0.10132904 0.13994940 0.38090915 Cu 3.52435322 8.82424698 8.83370349 -0.06957724 -0.16334385 -0.16612551 Cu 7.04586234 7.04206176 7.07116191 0.18794164 0.54014367 -0.01769468 Cu 8.86552275 8.84225414 7.06161317 -0.42735236 -0.32000539 -0.04303384 Cu 8.85807244 7.08915496 8.82794600 -0.31751556 -0.16770645 -0.29765672 Cu 7.07333169 8.81629733 8.85152523 -0.04808504 -0.26306905 -0.34779512