Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782 cohesive_energy=3.5402784095890816 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.015488389915212328 Energy: 0.3136671011437556 Energy: 0.3136671011437556 Energy: 0.015488389915212328 Energy: 0.3136671011437556 Energy: 0.3136671011437556 Energy: 0.015488389915212328 Energy: 0.3136671011437556 Energy: 0.3136671011437556 Energy: 0.015488389915212328 Energy: 0.3124031118590308 Energy: 0.017172456845400693 Energy: 0.3125000130230662 Energy: 0.3124031118590308 Energy: 0.017172456845400693 Energy: 0.3125000130230662 Energy: 0.3124031118590308 Energy: 0.017172456845400693 Energy: 0.3125000130230662 Energy: 0.3124031118590308 Energy: 1.3178137256157714 Energy: 0.6748322159219741 Energy: 0.7060596710807057 Energy: 1.032802084812754 Energy: 0.5415175750612764 Energy: 0.18794602758863135 Energy: 1.0327797125379932 Energy: 0.01582499346960032 Energy: 0.18794602758863135 Energy: 1.0328176788892771 Energy: 0.3124031118590308 Energy: 0.3125000130230662 Energy: 0.017172456843955193 Energy: 0.3124031118590308 Energy: 0.3125000130230662 Energy: 0.017172456845400693 Energy: 0.3124031118590308 Energy: 0.3125000130230662 Energy: 0.017172456845400693 Energy: 0.3124031118590308 Energy: 0.015488389915212328 Energy: 0.31366710114520113 Energy: 0.31366710114520113 Energy: 0.015488389915212328 Energy: 0.3136671011437556 Energy: 0.31366710114520113 Energy: 0.015488389915212328 Energy: 0.3136671011437556 Energy: 0.3136671011437556 Energy: 0.015488389915212328 Energy: 0.3124031118590308 Energy: 0.017172456845400693 Energy: 0.3125000130230662 Energy: 0.3124031118590308 Energy: 0.017172456845400693 Energy: 0.3125000130230662 Energy: 0.3124031118590308 Energy: 0.017172456845400693 Energy: 0.3125000130230662 Energy: 0.3124031118590308 Energy: 1.0327961919589805 Energy: 0.18794602758863135 Energy: 0.343729592610901 Energy: 1.0327859408995468 Energy: 0.7060596710662835 Energy: 0.6748322159219741 Energy: 1.0327674632634045 Energy: 0.7350828063914998 Energy: 0.7060596710763691 Energy: 1.0327697082243252 minimum gb energy = 0.015488389915212328 eV minimum distance = 2.27725969981603 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.189251748314271 Energy: 1.2680738708192665 Energy: 1.2695838925700953 Energy: 1.0230711820408787 Energy: 1.268073870816756 Energy: 1.2695838925711898 Energy: 1.1892517483163954 Energy: 1.2680738708181722 Energy: 1.2695838925708034 Energy: 1.0230711820397842 Energy: 1.0775289808041464 Energy: 1.1441484698853879 Energy: 1.2362241443581259 Energy: 1.0775293637568755 Energy: 1.1441484698828772 Energy: 1.2362241443584479 Energy: 1.0775301594072437 Energy: 1.1441484698835855 Energy: 1.2362241443591562 Energy: 1.0775289253928066 Energy: 1.4359136777212191 Energy: 1.2898561160264774 Energy: 1.483706060875372 Energy: 1.5377488830507604 Energy: 1.2898561160264774 Energy: 1.4837060468570722 Energy: 1.435913677719481 Energy: 1.2898561160250614 Energy: 1.4837060420243497 Energy: 1.5377488830493444 Energy: 1.266568239922254 Energy: 1.2748189856514827 Energy: 0.9232636652616741 Energy: 1.2665682399219322 Energy: 1.2748189856511607 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1.2680738708174641 Energy: 1.2695838925718979 Energy: 1.1459051931153708 Energy: 1.0775294601941767 Energy: 1.1441484698839717 Energy: 1.23622414435774 Energy: 1.0775292052343926 Energy: 1.1441484698828772 Energy: 1.2362241443574178 Energy: 1.0775289894043434 Energy: 1.1441484698860962 Energy: 1.2362241443591562 Energy: 1.0775298715600474 Energy: 1.5700505083940381 Energy: 1.2898561160254474 Energy: 1.4837060503520387 Energy: 1.523812065054878 Energy: 1.2898561160261557 Energy: 1.4837060417508114 Energy: 1.5700505083937164 Energy: 1.2898561160247395 Energy: 1.4837060390995707 Energy: 1.5238120650538483 Energy: 1.2665682399226406 Energy: 1.2748189856514827 Energy: 0.9232636652616741 Energy: 1.2665682399212244 Energy: 1.2748189856504526 Energy: 0.9232636652616741 Energy: 1.266568239922254 Energy: 1.2748189856497445 Energy: 0.9232636652620603 Energy: 1.2665682399226406 minimum gb energy = 0.8807935750655238 eV minimum distance = 2.34417036430435 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.493560231392877 Energy: 1.0641992453033122 Energy: 1.0647363572677013 Energy: 1.4002220021229586 Energy: 1.0641992453033122 Energy: 1.0647363572659736 Energy: 1.4935602313946046 Energy: 1.06419924530504 Energy: 1.0647363572677013 Energy: 1.4002220021229586 Energy: 1.242898458780331 Energy: 1.254471717518767 Energy: 1.3965816150712678 Energy: 1.242898458780331 Energy: 1.254471717518767 Energy: 1.3965816150712678 Energy: 1.2428984587786036 Energy: 1.254471717518767 Energy: 1.3965816150712678 Energy: 1.242898458780331 Energy: 1.3103460774755857 Energy: 1.3135137266211072 Energy: 1.2205756734487843 Energy: 1.2952513227628795 Energy: 1.3135137266211072 Energy: 1.2205756734487843 Energy: 1.3103460774738578 Energy: 1.3135137266193793 Energy: 1.2205756734487843 Energy: 1.2952513227611515 Energy: 1.2753319394578166 Energy: 1.2759252123930462 Energy: 1.066953803325897 Energy: 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1.3383042048371911 Energy: 1.3594154475142073 Energy: 1.3021354689981715 Energy: 1.338304204837971 Energy: 1.2421512457969446 Energy: 1.2807977594070323 Energy: 1.2860498225073207 Energy: 1.2421512457963775 Energy: 1.2807977594093714 Energy: 1.286049822506151 Energy: 1.2421512457965547 Energy: 1.2807977594091586 Energy: 1.2860498225063637 Energy: 1.2421512457953852 Energy: 1.1911262747952527 Energy: 1.3661586966776658 Energy: 1.2813653238687228 Energy: 1.1911262748009228 Energy: 1.366114390779985 Energy: 1.2813653238689 Energy: 1.1911262747814317 Energy: 1.3661586966794024 Energy: 1.28136532386929 Energy: 1.1911262747935163 Energy: 1.4418338518155966 Energy: 1.260176810649524 Energy: 1.3946396195590378 Energy: 1.4418338518154192 Energy: 1.260255949677616 Energy: 1.3946396195604203 Energy: 1.441833851814427 Energy: 1.260176810651473 Energy: 1.3946396195605975 Energy: 1.441833851814817 Energy: 1.284109817181788 Energy: 1.2689291391392958 Energy: 1.3222463827480873 Energy: 1.2841098171816108 Energy: 1.2689291391396857 Energy: 1.3222463827498234 Energy: 1.2841098171816108 Energy: 1.2689291391377366 Energy: 1.3222463827502136 Energy: 1.2841098171816108 Energy: 1.342496022917682 Energy: 1.4347786780335583 Energy: 1.294086044343905 Energy: 1.3424960229182492 Energy: 1.447260059980139 Energy: 1.2940860443431255 Energy: 1.3424960229190286 Energy: 1.4347786780327787 Energy: 1.294086044341956 Energy: 1.3424960229201983 Energy: 1.405999294161653 Energy: 1.2966740849179974 Energy: 1.5186246296967565 Energy: 1.4059992941628228 Energy: 1.297057510867439 Energy: 1.5186246296967565 Energy: 1.405999294163992 Energy: 1.2966740849183873 Energy: 1.51862462969463 Energy: 1.4059992941632125 Energy: 1.3009560667617008 Energy: 1.2732726483321146 Energy: 1.2942273925597112 Energy: 1.3009560667630475 Energy: 1.2732741421450027 Energy: 1.2942273925599237 Energy: 1.3009560667644293 Energy: 1.273272648332682 Energy: 1.294227392559144 Energy: 1.3009560667638271 minimum gb energy = 1.1831802092544048 eV minimum distance = 2.24269654784697 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.3250717334347661 Energy: 1.3606540292753257 Energy: 1.3618327473487668 Energy: 1.250755767225274 Energy: 1.360656595773641 Energy: 1.361832747349436 Energy: 1.3250717334347661 Energy: 1.3606570969071208 Energy: 1.3618327473501053 Energy: 1.250755767225274 Energy: 1.3674717987946226 Energy: 1.269234437602448 Energy: 1.363863932446451 Energy: 1.3674717987932843 Energy: 1.269234437601779 Energy: 1.3638639324471202 Energy: 1.3674717987932843 Energy: 1.2692344376037865 Energy: 1.363863932445782 Energy: 1.3674717987952918 Energy: 1.299762307601923 Energy: 1.303302535632287 Energy: 1.2976789161840783 Energy: 1.2997623076032612 Energy: 1.3033025356329562 Energy: 1.2958497124565804 Energy: 1.2997623076032612 Energy: 1.3033025356336252 Energy: 1.297678916183409 Energy: 1.2997623076032612 Energy: 1.412065905807074 Energy: 1.4057907278340074 Energy: 1.2624347806198455 Energy: 1.4120659058090812 Energy: 1.4057907278326691 Energy: 1.2624347806198455 Energy: 1.4120659058077432 Energy: 1.4057907278326691 Energy: 1.2624347806198455 Energy: 1.4120659058084122 Energy: 1.3737065500291696 Energy: 1.3608057537415943 Energy: 1.225511598073145 Energy: 1.37370627346665 Energy: 1.3608057537502627 Energy: 1.225511598073814 Energy: 1.3737068596544357 Energy: 1.360805753738249 Energy: 1.2255115980744833 Energy: 1.3737073768427261 Energy: 1.2702074444913798 Energy: 1.4209679082836466 Energy: 1.3627350831211045 Energy: 1.2702074444913798 Energy: 1.420967908647505 Energy: 1.3627354177971165 Energy: 1.2702074444907108 Energy: 1.4209679088280809 Energy: 1.362735604134515 Energy: 1.270207444492049 Energy: 1.3661743420970571 Energy: 1.3520516357227985 Energy: 1.3577045326778143 Energy: 1.3662078994109972 Energy: 1.352051918816519 Energy: 1.3577045326784836 Energy: 1.3661742370042953 Energy: 1.3520513678698842 Energy: 1.3577045326778143 Energy: 1.3661956236535409 Energy: 1.4600580555003884 Energy: 1.3181516816626169 Energy: 1.362581909462807 Energy: 1.4600580554997193 Energy: 1.318151681659271 Energy: 1.362581909462138 Energy: 1.46005805549905 Energy: 1.3181516816619476 Energy: 1.362581909462138 Energy: 1.4600580555010576 Energy: 1.3320576308143748 Energy: 1.3921853075418782 Energy: 1.3521587714702137 Energy: 1.3320576308137055 Energy: 1.392185307539871 Energy: 1.3523560323805637 Energy: 1.3320576308150438 Energy: 1.3921853075405402 Energy: 1.352158768826272 Energy: 1.3320576308150438 Energy: 1.3445035538732037 Energy: 1.3876603394071598 Energy: 1.441723293981823 Energy: 1.270439666807426 Energy: 1.3876603394064908 Energy: 1.441723293981823 Energy: 1.3445035538725345 Energy: 1.387660339407829 Energy: 1.4417232939798157 Energy: 1.270439666807426 Energy: 1.3737279936956486 Energy: 1.3005899930480802 Energy: 1.4290515157063153 Energy: 1.3081470523764935 Energy: 1.3005899932547518 Energy: 1.3829334899114325 Energy: 1.3737279936963178 Energy: 1.3005899943596488 Energy: 1.4290515157056463 Energy: 1.3081470523771626 Energy: 1.385117571340801 Energy: 1.2685965398533336 Energy: 1.3592099990193007 Energy: 1.38511757134147 Energy: 1.2685965398533336 Energy: 1.3592099990206388 Energy: 1.385117571340801 Energy: 1.2685965398519954 Energy: 1.3592099990213082 Energy: 1.385117571340801 Energy: 1.3660774197291063 Energy: 1.285037476992245 Energy: 1.3594962083926267 Energy: 1.3662750925892049 Energy: 1.285037476992245 Energy: 1.3594962112659608 Energy: 1.3661047072637795 Energy: 1.2850374769915758 Energy: 1.3594962109034712 Energy: 1.3662778236782485 Energy: 1.300636155574336 Energy: 1.3694232359105611 Energy: 1.2719037790626602 Energy: 1.3006361555750052 Energy: 1.3694232359112302 Energy: 1.271903779061991 Energy: 1.3006361555750052 Energy: 1.3694232359105611 Energy: 1.271903779061322 Energy: 1.300636155574336 Energy: 1.250755767225274 Energy: 1.3606523812972176 Energy: 1.361832747349436 Energy: 1.2507557672246046 Energy: 1.3606559980771291 Energy: 1.361832747349436 Energy: 1.250755767225274 Energy: 1.3606571262109912 Energy: 1.361832747349436 Energy: 1.2507557672239356 minimum gb energy = 1.225511598073145 eV minimum distance = 2.31968626507963 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 1.5359165246410107 Energy: 1.1884755814291459 Energy: 1.1878969792346274 Energy: 1.4363675451574762 Energy: 1.1884755814291459 Energy: 1.1878969792372236 Energy: 1.5359165246358184 Energy: 1.1884755814265497 Energy: 1.1878969792372236 Energy: 1.4363675451574762 Energy: 1.246744564527399 Energy: 1.0666395277433367 Energy: 1.2246601591723079 Energy: 1.246744564527399 Energy: 1.0666395277459328 Energy: 1.224660159174904 Energy: 1.246744564527399 Energy: 1.0666395277459328 Energy: 1.224660159174904 Energy: 1.2467445645248025 Energy: 1.2393504416295313 Energy: 1.1004547719234223 Energy: 1.170048001712562 Energy: 1.2117222967302386 Energy: 1.1004547719234223 Energy: 1.1833181242192568 Energy: 1.2049988267620333 Energy: 1.1004547719260185 Energy: 1.1528018845657684 Energy: 1.2049988267594374 Energy: 1.1656332378185572 Energy: 1.1547362758650566 Energy: 1.1097774501135738 Energy: 1.165633237815961 Energy: 1.1547362758676527 Energy: 1.109677983746424 Energy: 1.165633237815961 Energy: 1.1547362758676527 Energy: 1.1097774501135738 Energy: 1.1656332378185572 Energy: 1.18364280575995 Energy: 1.2885433518744698 Energy: 1.128451840516821 Energy: 1.18364280575995 Energy: 1.2885433518718736 Energy: 1.1285335924273572 Energy: 1.183642805762546 Energy: 1.2885433518718736 Energy: 1.128451840516821 Energy: 1.18364280575995 Energy: 1.1859086193649382 Energy: 1.2353689769902245 Energy: 1.1837599280386044 Energy: 1.185908619362342 Energy: 1.2353689769902245 Energy: 1.1837599280412006 Energy: 1.185908619362342 Energy: 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1.2138800553945468 Energy: 1.1800114219328708 Energy: 1.188030757995139 Energy: 1.2138800553945468 Energy: 1.180011227239767 Energy: 1.2077142990203384 Energy: 1.1158992243238721 Energy: 1.2312756288499884 Energy: 1.2077142991449088 Energy: 1.1158992243238721 Energy: 1.2312756288499884 Energy: 1.2077142994511183 Energy: 1.1158992243238721 Energy: 1.2312756288499884 Energy: 1.2077142989502885 Energy: 1.1331480695410472 Energy: 1.3129890778461495 Energy: 1.1300750961090418 Energy: 1.1848318576993502 Energy: 1.3129890778461495 Energy: 1.0890467522499852 Energy: 1.1271462727182002 Energy: 1.3129890778461495 Energy: 1.0890467522499852 Energy: 1.1638386908656777 Energy: 1.1991374356114697 Energy: 1.1906388188849855 Energy: 1.0662718762907075 Energy: 1.1991374356114697 Energy: 1.1906388188823893 Energy: 1.0662718762881114 Energy: 1.1991374356114697 Energy: 1.1906388188823893 Energy: 1.066271876282919 Energy: 1.1991374356088735 Energy: 1.2186227137782066 Energy: 1.3747042880057587 Energy: 1.0836093562625468 Energy: 1.2186227137782066 Energy: 1.3747042880083549 Energy: 1.0836093562625468 Energy: 1.2186227137782066 Energy: 1.3747042880083549 Energy: 1.0836093562625468 Energy: 1.2186227137782066 Energy: 1.4007125153719426 Energy: 1.212303776148043 Energy: 1.1872716630130118 Energy: 1.4431241200088436 Energy: 1.212303776148043 Energy: 1.187271663015608 Energy: 1.4007125153719426 Energy: 1.212303776148043 Energy: 1.1872716630182043 Energy: 1.4431241200062475 Energy: 1.2185834538107296 Energy: 1.1285152794806106 Energy: 1.2188336058208198 Energy: 1.2185834538107296 Energy: 1.1285152794806106 Energy: 1.218833605823416 Energy: 1.2185834538107296 Energy: 1.1285152794806106 Energy: 1.2188336058208198 Energy: 1.2185834538107296 Energy: 1.160382494770108 Energy: 1.1210094242209978 Energy: 1.1282513782148145 Energy: 1.1603824947727044 Energy: 1.1210094242184017 Energy: 1.128436999512401 Energy: 1.1603824947727044 Energy: 1.1210094242184017 Energy: 1.1282513782174106 Energy: 1.1603824947675119 Energy: 1.214581069297836 Energy: 1.2884275827179448 Energy: 1.1500795457102335 Energy: 1.214581069297836 Energy: 1.2884275827153486 Energy: 1.1502801700025773 Energy: 1.214581069297836 Energy: 1.2884275827179448 Energy: 1.1500795457102335 Energy: 1.214581069297836 Energy: 1.1183358234617164 Energy: 1.3311999249987567 Energy: 1.0973164255236139 Energy: 1.1183358234617164 Energy: 1.3311999247703858 Energy: 1.09731642552621 Energy: 1.1183358234591203 Energy: 1.3311999250143338 Energy: 1.0973164255210177 Energy: 1.1183358234591203 Energy: 1.1152999791718987 Energy: 1.1151489635709444 Energy: 1.1727421394067563 Energy: 1.1152999791744949 Energy: 1.1151489635683483 Energy: 1.1727421394067563 Energy: 1.1152999791744949 Energy: 1.115148963565752 Energy: 1.1727421394093527 Energy: 1.1152999791718987 Energy: 1.1330654715152815 Energy: 1.2256540288766147 Energy: 1.1964551948819617 Energy: 1.1330654715178776 Energy: 1.2256540288792108 Energy: 1.1964551948819617 Energy: 1.1330654715178776 Energy: 1.2256540288766147 Energy: 1.1964551948819617 Energy: 1.1330654715178776 Energy: 1.2118635298094234 Energy: 1.1000588617652474 Energy: 1.1998854122236986 Energy: 1.2118635298120197 Energy: 1.1000588617678435 Energy: 1.1998854122236986 Energy: 1.2118635298094234 Energy: 1.1000588617652474 Energy: 1.1998854122236986 Energy: 1.2118635298120197 Energy: 1.1867460678768271 Energy: 1.1904329980495916 Energy: 1.4867662155031651 Energy: 1.1867460678768271 Energy: 1.1904329980495916 Energy: 1.4371157294697021 Energy: 1.1867460678794233 Energy: 1.1904329980469954 Energy: 1.4867662155057615 Energy: 1.1867460678794233 Energy: 1.0662480927602316 Energy: 1.259389051451332 Energy: 1.1657204097927905 Energy: 1.0662480927628277 Energy: 1.2909773792221975 Energy: 1.1333787514458016 Energy: 1.0662480927628277 Energy: 1.259389051453928 Energy: 1.1657204097927905 Energy: 1.0662480927628277 Energy: 1.1011109283932392 Energy: 1.1448243264899163 Energy: 1.2006984844197175 Energy: 1.1011109283932392 Energy: 1.1448188864000155 Energy: 1.2005483079404085 Energy: 1.1011109283958351 Energy: 1.1448243264899163 Energy: 1.2006984844223139 Energy: 1.1011109283958351 Energy: 1.1267445930152526 Energy: 1.1119397739346872 Energy: 1.1657214687574529 Energy: 1.1267445930152526 Energy: 1.11167464194587 Energy: 1.1657214687574529 Energy: 1.1267445930178492 Energy: 1.1119397739320909 Energy: 1.1657214687574529 Energy: 1.1267445930178492 Energy: 1.290508802602805 Energy: 1.1153310619304073 Energy: 1.2626733493022317 Energy: 1.2905088025976128 Energy: 1.115390451397554 Energy: 1.2626733492996356 Energy: 1.290508802600209 Energy: 1.1153310619304073 Energy: 1.2626733492996356 Energy: 1.290508802600209 Energy: 1.2282148898772978 Energy: 1.1849046197694855 Energy: 1.18262862131812 Energy: 1.2482463268605737 Energy: 1.1849046197720818 Energy: 1.1826286213155237 Energy: 1.2555204152576587 Energy: 1.1849046197720818 Energy: 1.18262862131812 Energy: 1.2456574916442869 minimum gb energy = 1.0656908572832826 eV minimum distance = 2.23499686849961 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 1.513035804262683 Energy: 0.652812496384427 Energy: 0.6504756996594089 Energy: 0.9134310597319862 Energy: 0.652812496384427 Energy: 0.6504756996597171 Energy: 1.5130358042608338 Energy: 0.6528124963847352 Energy: 0.6504756996587926 Energy: 0.9134310597316782 Energy: 1.233213444094536 Energy: 0.6468349079662952 Energy: 0.8835985767102668 Energy: 1.0612039034455047 Energy: 0.6468349079662952 Energy: 1.0867338069146484 Energy: 1.2332134440917626 Energy: 0.6468349079672197 Energy: 0.8835985767118077 Energy: 1.0612039034482785 Energy: 0.8726621349289732 Energy: 0.6494130277401694 Energy: 0.9982304833513621 Energy: 1.0354342871413886 Energy: 0.6494130277389367 Energy: 0.8355080053862021 Energy: 0.8726621349283569 Energy: 0.6494130277410939 Energy: 0.998230483349205 Energy: 1.035434287140464 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0.7311915219692757 Energy: 1.1165692020105227 Energy: 0.9930345824830022 Energy: 0.6458722349423579 Energy: 1.1165692020102145 Energy: 0.8803533714670166 Energy: 0.6458722349309551 Energy: 1.1165692020117557 Energy: 0.9930345824836188 Energy: 0.6458722349482134 Energy: 1.1165692020105227 Energy: 0.670251711346264 Energy: 1.2554473002833424 Energy: 0.6553581213244605 Energy: 0.871612243108765 Energy: 1.100416215239557 Energy: 0.6553581213244605 Energy: 0.670251711346264 Energy: 1.2554473002839583 Energy: 0.6553581213247687 Energy: 0.8716122431069159 Energy: 1.0826408003324877 Energy: 1.045351954384474 Energy: 0.6474946200042612 Energy: 0.9216525417185789 Energy: 0.8790484957735332 Energy: 0.647494620005494 Energy: 1.0826408003303305 Energy: 1.0453519543835494 Energy: 0.6474946200033366 Energy: 0.9216525417176542 Energy: 1.0821592044699362 Energy: 1.1153224128180264 Energy: 0.649293924683288 Energy: 1.1197473001955827 Energy: 1.1153224128208 Energy: 0.6492939246826717 Energy: 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1.577392159368519 Energy: 1.5660764695081495 Energy: 1.4851583969726465 Energy: 1.681110106023127 Energy: 1.5563463322370021 Energy: 1.4851583969726465 Energy: 1.681110106023127 Energy: 1.5563463322370021 Energy: 1.4851583969726465 Energy: 1.681110106023127 Energy: 1.5563463322370021 Energy: 1.4851583969726465 Energy: 1.6116360608782017 Energy: 1.5123771370543742 Energy: 1.535227039529453 Energy: 1.6116360608760993 Energy: 1.5123771370543742 Energy: 1.5352270395274255 Energy: 1.6116360608782017 Energy: 1.5123771370543742 Energy: 1.535227039529453 Energy: 1.6116360608760993 minimum gb energy = 1.445097947903586 eV minimum distance = 2.23075473915288 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.5019510545214403 Energy: 1.6877177238246175 Energy: 1.6878331731371001 Energy: 1.5019510545211874 Energy: 1.6877177238243648 Energy: 1.6878331731365943 Energy: 1.5019510545214403 Energy: 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1.47731507916807 Energy: 1.530586563377177 Energy: 1.6608015441106423 Energy: 1.4773150791675642 Energy: 1.530586563377177 Energy: 1.6608015441124127 Energy: 1.4773150791678173 Energy: 1.5305865633769238 Energy: 1.660801544111401 Energy: 1.4773150791675642 Energy: 1.6743636984823074 Energy: 1.5872840654134865 Energy: 1.5870952126032298 Energy: 1.6743636984828132 Energy: 1.5872840654134865 Energy: 1.587095212602724 Energy: 1.67436369848256 Energy: 1.5872840654139924 Energy: 1.5870952126019653 Energy: 1.6743636984815484 Energy: 1.4771936095252487 Energy: 1.660842742662207 Energy: 1.5305286440791526 Energy: 1.4771936095257545 Energy: 1.6608427426617012 Energy: 1.5305286440791526 Energy: 1.4771936095255016 Energy: 1.6608427426614483 Energy: 1.530528644078647 Energy: 1.4771936095257545 Energy: 1.5715856716569148 Energy: 1.5010194560207248 Energy: 1.5888670525665562 Energy: 1.5715856716569148 Energy: 1.5010194560207248 Energy: 1.5888670525635211 Energy: 1.5715856716571677 Energy: 1.5010194560207248 Energy: 1.5888670525655444 Energy: 1.5715856716564087 Energy: 1.602240982462972 Energy: 1.5524615568695252 Energy: 1.4657703359914651 Energy: 1.602240982462972 Energy: 1.5524615568695252 Energy: 1.4657703359929823 Energy: 1.6022409824634778 Energy: 1.5524615568692726 Energy: 1.4657703359914651 Energy: 1.6022409824624662 Energy: 1.6140764226002486 Energy: 1.6296145756384681 Energy: 1.4747684892758686 Energy: 1.6140764225987314 Energy: 1.6296145756384681 Energy: 1.4747684892753627 Energy: 1.614076422599237 Energy: 1.6296145756372036 Energy: 1.4747684892758686 Energy: 1.6140764225987314 minimum gb energy = 1.4653004490027008 eV minimum distance = 2.23147016826685 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.5775843051075655 Energy: 1.5573611445552815 Energy: 1.557332256392482 Energy: 1.5775843051084382 Energy: 1.5573611445543674 Energy: 1.557332256392939 Energy: 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Energy: 1.6169579472717108 Energy: 1.6175684034593785 Energy: 1.578173542526243 Energy: 1.6169579472712539 Energy: 1.6175684034598357 Energy: 1.578173542526243 Energy: 1.6169579472730822 Energy: 1.6175684034598357 Energy: 1.5573611445534532 Energy: 1.5573322563911107 Energy: 1.5775843051071083 Energy: 1.5573611445539102 Energy: 1.5573322563920249 Energy: 1.5775843051075655 Energy: 1.5573611445534532 Energy: 1.557332256391568 Energy: 1.5775843051075655 Energy: 1.5573611445534532 Energy: 1.5781772107340293 Energy: 1.6175721499650528 Energy: 1.6168531334986564 Energy: 1.5781772107340293 Energy: 1.6175721499650528 Energy: 1.6168531334995706 Energy: 1.5781772107340293 Energy: 1.6175721499645959 Energy: 1.6168531334981993 Energy: 1.5781772107344867 minimum gb energy = 1.5272188105451194 eV minimum distance = 2.29054823801097 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.513616550838558 Energy: 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1.7370355384536356 Energy: 1.5341497317040533 Energy: 1.436542371922545 Energy: 1.7370355384121945 Energy: 1.5341497317019812 Energy: 1.5028117193957558 Energy: 1.4409766043097851 Energy: 1.63860268409846 Energy: 1.5028117193978277 Energy: 1.440976604307713 Energy: 1.638602684102604 Energy: 1.5028117193998998 Energy: 1.440976604307713 Energy: 1.6386026841005321 Energy: 1.5028117193957558 Energy: 1.5662100100392988 Energy: 1.5088395376716892 Energy: 1.472262138300808 Energy: 1.56621001007038 Energy: 1.508839537669617 Energy: 1.4723246504873722 Energy: 1.5662100100724519 Energy: 1.508839537669617 Energy: 1.4722621383028802 Energy: 1.5662100100372267 Energy: 1.4154874362388086 Energy: 1.4805811209162145 Energy: 1.6428309367555602 Energy: 1.4154874362388086 Energy: 1.4805811209162145 Energy: 1.6428309367534881 Energy: 1.4154874362346648 Energy: 1.4805811209162145 Energy: 1.6428309367555602 Energy: 1.4154874362367367 Energy: 1.4542463268316304 Energy: 1.599211915208419 Energy: 1.6377851425591698 Energy: 1.4542463268337023 Energy: 1.599211915208419 Energy: 1.6377851425591698 Energy: 1.4542463268316304 Energy: 1.5992119152063466 Energy: 1.6377851425570977 Energy: 1.4542463268337023 minimum gb energy = 1.4013883558983184 eV minimum distance = 2.25000374136792 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.3067780614599394 Energy: 1.5777804655862218 Energy: 1.577078674795074 Energy: 1.3067780614599394 Energy: 1.577780465585467 Energy: 1.5770786747958292 Energy: 1.306778061460694 Energy: 1.5777804655862218 Energy: 1.577078674795074 Energy: 1.3067780614599394 Energy: 1.6197489241925258 Energy: 1.28582402899904 Energy: 1.3600626238135087 Energy: 1.6197489241925258 Energy: 1.28582402899904 Energy: 1.3600626238150184 Energy: 1.6197489241925258 Energy: 1.28582402899904 Energy: 1.3600626238135087 Energy: 1.6197489241925258 Energy: 1.4765847219186186 Energy: 1.2745898051013655 Energy: 1.6276287572277282 Energy: 1.4765847219201285 Energy: 1.2745898051021205 Energy: 1.6276287572217232 Energy: 1.4765847219193735 Energy: 1.2745898051013655 Energy: 1.6276287572224781 Energy: 1.4765847219201285 Energy: 1.450676211565299 Energy: 1.6293866366433245 Energy: 1.3142253149710725 Energy: 1.450676211565299 Energy: 1.6293866366425696 Energy: 1.3142253149710725 Energy: 1.450676211565299 Energy: 1.6293866366418146 Energy: 1.3142253149710725 Energy: 1.450676211565299 Energy: 1.363595975935049 Energy: 1.295714247768712 Energy: 1.572762970510633 Energy: 1.363595975935804 Energy: 1.2957142477679573 Energy: 1.5727629705113877 Energy: 1.363595975935049 Energy: 1.295714247768712 Energy: 1.572762970510633 Energy: 1.363595975935049 Energy: 1.3313071548936612 Energy: 1.5132206332819287 Energy: 1.286366839264301 Energy: 1.3313071548936612 Energy: 1.513220633280419 Energy: 1.286366839265811 Energy: 1.3313071548929065 Energy: 1.5132206332811737 Energy: 1.286366839264301 Energy: 1.3313071548936612 Energy: 1.494236218812383 Energy: 1.3123484995111312 Energy: 1.2743199244670524 Energy: 1.4942362188131377 Energy: 1.3123484995103765 Energy: 1.2743199244662975 Energy: 1.494236218812383 Energy: 1.312348499511886 Energy: 1.2743199244678074 Energy: 1.5713870197966961 Energy: 1.3093914637480537 Energy: 1.5989303981931393 Energy: 1.4146419902506588 Energy: 1.3093914637480537 Energy: 1.5989303981923846 Energy: 1.4146419902506588 Energy: 1.3093914637480537 Energy: 1.5989303981931393 Energy: 1.4146419902506588 Energy: 1.3093914637480537 Energy: 1.7178986169027386 Energy: 1.286069782153182 Energy: 1.2956668008474423 Energy: 1.7178986169027386 Energy: 1.286069782153182 Energy: 1.2956668008474423 Energy: 1.7178986169034935 Energy: 1.286069782153182 Energy: 1.2956668008481975 Energy: 1.7178986169027386 Energy: 1.4776046681830945 Energy: 1.4816809408514238 Energy: 1.5775837461698032 Energy: 1.4776046681823398 Energy: 1.4816809408499139 Energy: 1.5775837461705582 Energy: 1.4776046681830945 Energy: 1.4816809408506686 Energy: 1.5775837461690485 Energy: 1.4776046681830945 Energy: 1.418215973402275 Energy: 1.4183487777076766 Energy: 1.3350376718745234 Energy: 1.4182159734037847 Energy: 1.4183487777076766 Energy: 1.3350376718737682 Energy: 1.4182159734030297 Energy: 1.418348777706956 Energy: 1.3350376718745234 Energy: 1.4182159734030297 Energy: 1.4840814908799018 Energy: 1.2858807204632996 Energy: 1.4614459225726166 Energy: 1.4840814908799018 Energy: 1.2858807204648093 Energy: 1.4614459225748813 Energy: 1.4840814908799018 Energy: 1.2858807204632996 Energy: 1.4614459225748813 Energy: 1.4840814908799018 Energy: 1.2827869939645957 Energy: 1.756855157752666 Energy: 1.2826813230964351 Energy: 1.282786993963086 Energy: 1.756855157754176 Energy: 1.2826813230971899 Energy: 1.2827869939638408 Energy: 1.756855157752666 Energy: 1.2826813230956802 Energy: 1.282786993963086 Energy: 1.473595915438498 Energy: 1.3375356367619056 Energy: 1.4386135869735694 Energy: 1.473595915438498 Energy: 1.3375356367626603 Energy: 1.4386135869720595 Energy: 1.4735959154392533 Energy: 1.3375356367626603 Energy: 1.4386135869728145 Energy: 1.473595915438498 minimum gb energy = 1.2743199244662975 eV minimum distance = 2.21423916751479 Angstroms sigma value = 33