Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.0320824623107905 cohesive_energy=3.3602642540255827 mass=26.981538 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: 0.011810527932417263 Energy: 0.18679361332655 Energy: 0.18679361332538807 Energy: 0.011810527932417263 Energy: 0.18679361332655 Energy: 0.18679361332655 Energy: 0.011810527932417263 Energy: 0.18679361332655 Energy: 0.18679361332655 Energy: 0.011810527932417263 Energy: 0.18599735438583223 Energy: 0.012361825628859425 Energy: 0.7693830732700903 Energy: 0.18599735438583223 Energy: 0.012361825628859425 Energy: 0.7693830732700903 Energy: 0.1859973543846703 Energy: 0.012361825628859425 Energy: 0.7693830732700903 Energy: 0.18599735438583223 Energy: 0.18599735438583223 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.18599735438350837 Energy: 0.7693830732700903 Energy: 0.012361825630021351 Energy: 0.18599735438350837 Energy: 0.7693830732700903 Energy: 0.012361825630021351 Energy: 0.18599735438350837 Energy: 0.7693830732700903 Energy: 0.012361825628859425 Energy: 0.18599735438350837 Energy: 0.011810527933579193 Energy: 0.18679361332655 Energy: 0.18679361332655 Energy: 0.011810527933579193 Energy: 0.18679361332655 Energy: 0.18679361332655 Energy: 0.011810527933579193 Energy: 0.18679361332655 Energy: 0.18679361332538807 Energy: 0.011810527932417263 Energy: 0.18599735438350837 Energy: 0.012361825628859425 Energy: 0.7693830732700903 Energy: 0.18599735438350837 Energy: 0.012361825630021351 Energy: 0.7693830732700903 Energy: 0.18599735438350837 Energy: 0.012361825630021351 Energy: 0.7693830732700903 Energy: 0.18599735438350837 Energy: 0.18599735438350837 Energy: 0.012727187307967522 Energy: 0.012727187306805594 Energy: 0.012727187306805594 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 Energy: 0.012727187307967522 minimum gb energy = 0.011810527932417263 eV minimum distance = 2.84435135416471 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.47380659292166755 Energy: 0.6033921254511225 Energy: 0.5786537034941388 Energy: 0.44933967222552523 Energy: 0.6033921254505533 Energy: 0.5786537034995466 Energy: 0.4738065929196753 Energy: 0.6033921254488456 Energy: 0.5786537034938543 Energy: 0.4493396722258099 Energy: 0.5309654211736682 Energy: 0.4524103369974234 Energy: 0.5665412467767618 Energy: 0.5309654211708481 Energy: 0.45241033699770805 Energy: 0.5665412467779002 Energy: 0.5309654211762298 Energy: 0.4524103369979926 Energy: 0.5665412467761926 Energy: 0.5309654211697096 Energy: 0.5130754658772803 Energy: 0.5608086519328517 Energy: 0.5771676835347175 Energy: 0.5209515794312627 Energy: 0.560808651929721 Energy: 0.5771676835517684 Energy: 0.5130754658801264 Energy: 0.5608086519280133 Energy: 0.5771676835614453 Energy: 0.5209515794292705 Energy: 0.605319743394006 Energy: 0.6191934564846914 Energy: 0.4492494673976985 Energy: 0.6053197433914445 Energy: 0.619193456481276 Energy: 0.4492494673976985 Energy: 0.605319743394006 Energy: 0.619193456481276 Energy: 0.4492494673954216 Energy: 0.6053197433951444 Energy: 0.42839080252754774 Energy: 0.579278825505634 Energy: 0.5629013647861832 Energy: 0.4283908025252709 Energy: 0.562911333137793 Energy: 0.568344862352388 Energy: 0.42839080252897077 Energy: 0.5792788255027879 Energy: 0.562901364785614 Energy: 0.42839080252951417 Energy: 0.6088398448321829 Energy: 0.456800077373923 Energy: 0.554304867491066 Energy: 0.6088398448341751 Energy: 0.45680007737079226 Energy: 0.5543048674907814 Energy: 0.6088398448279138 Energy: 0.45680007737449213 Energy: 0.5543048674882198 Energy: 0.6088398448287674 Energy: 0.572671537315419 Energy: 0.5684977949760418 Energy: 0.6003423053089829 Energy: 0.5726715373157036 Energy: 0.5684977949743341 Energy: 0.6003423053072754 Energy: 0.5726715373145652 Energy: 0.5684977949731956 Energy: 0.6003423053089829 Energy: 0.5726715373122883 Energy: 0.5411339961618963 Energy: 0.5334065935309196 Energy: 0.45105778833785065 Energy: 0.5411339961624655 Energy: 0.5334065935286426 Energy: 0.45101835212365315 Energy: 0.5411339961633194 Energy: 0.5334065935300658 Energy: 0.4510577883330123 Energy: 0.5411339961613271 Energy: 0.449211562575357 Energy: 0.611915796437232 Energy: 0.6075458673307343 Energy: 0.4492115625759262 Energy: 0.611915796435809 Energy: 0.6075458673310191 Energy: 0.4492115625759262 Energy: 0.6119157964389397 Energy: 0.6075458673318728 Energy: 0.44921156257564165 Energy: 0.5525602359900504 Energy: 0.5861328862683759 Energy: 0.5413690952955514 Energy: 0.5525602359869198 Energy: 0.5861328862900065 Energy: 0.5413690952912822 Energy: 0.5525602359886275 Energy: 0.5861328862868757 Energy: 0.5413690952898592 Energy: 0.5525602359914736 Energy: 0.5739049070348552 Energy: 0.45290243043584405 Energy: 0.5652652059750233 Energy: 0.573904907033432 Energy: 0.45290243043413647 Energy: 0.5652652059770156 Energy: 0.5739049070340013 Energy: 0.4529024304327134 Energy: 0.5652652059784385 Energy: 0.5739049070351397 Energy: 0.5937179052957313 Energy: 0.6321457243743691 Energy: 0.44934244637393267 Energy: 0.5937179053000005 Energy: 0.6321457243755075 Energy: 0.44934244636909426 Energy: 0.5937179052963005 Energy: 0.6321457243746538 Energy: 0.4493424463710866 Energy: 0.5937179052931697 Energy: 0.5141242035932826 Energy: 0.5689487734995257 Energy: 0.5055158449247769 Energy: 0.5141242035955594 Energy: 0.5770022534704192 Energy: 0.5055158449250615 Energy: 0.5141242035941364 Energy: 0.568948773497818 Energy: 0.5055158449298999 Energy: 0.5141242035924286 Energy: 0.5350049448432153 Energy: 0.5522044527760449 Energy: 0.5933173196028738 Energy: 0.5350049448440692 Energy: 0.5473708725938821 Energy: 0.5933173196000278 Energy: 0.5350049448440692 Energy: 0.5522044527811679 Energy: 0.5933173196037278 Energy: 0.5350049448434999 Energy: 0.5729008835178422 Energy: 0.4492338908595837 Energy: 0.5992388959299934 Energy: 0.5729008835178422 Energy: 0.4492338908561683 Energy: 0.599238895925155 Energy: 0.5729008835184114 Energy: 0.44923389085303767 Energy: 0.5992388959305626 Energy: 0.5729008835167037 Energy: 0.5512908832329635 Energy: 0.5443676595987179 Energy: 0.4524499110533443 Energy: 0.5512908832309712 Energy: 0.5443676596041257 Energy: 0.45238904007825614 Energy: 0.5512908832309712 Energy: 0.5443676596021333 Energy: 0.45244991105419813 Energy: 0.551290883230402 Energy: 0.514028276638406 Energy: 0.5966902623394588 Energy: 0.5731472813699561 Energy: 0.5140282766369829 Energy: 0.5966902623360433 Energy: 0.5731472813688177 Energy: 0.5140282766327138 Energy: 0.5966902623388894 Energy: 0.5731472813688177 Energy: 0.5140282766324292 Energy: 0.4750551357063468 Energy: 0.6108306701262533 Energy: 0.5789754048226307 Energy: 0.44907975772368375 Energy: 0.6108306701239763 Energy: 0.5789754048251922 Energy: 0.47505513570520824 Energy: 0.6108306701259686 Energy: 0.5789754048280383 Energy: 0.4490797577199839 Energy: 0.5793085364708801 Energy: 0.45094215972553636 Energy: 0.5836321649643456 Energy: 0.5793085364691725 Energy: 0.4509421597261057 Energy: 0.583632164965484 Energy: 0.5793085364717339 Energy: 0.4509421597192749 Energy: 0.5836321649634917 Energy: 0.5793085364742955 Energy: 0.5935428467805008 Energy: 0.647939746314075 Energy: 0.524216120920238 Energy: 0.5935428467839162 Energy: 0.6479397463172059 Energy: 0.5242161209210918 Energy: 0.593542846783347 Energy: 0.647939746316352 Energy: 0.5242161209190995 Energy: 0.5935428467856239 Energy: 0.5938984491855867 Energy: 0.5432609959097096 Energy: 0.4560809135098181 Energy: 0.5938984491847328 Energy: 0.5457092180091436 Energy: 0.45608091350697194 Energy: 0.5938984491847328 Energy: 0.5432609959080018 Energy: 0.45608091350554886 Energy: 0.5938984491872943 Energy: 0.42838235789674917 Energy: 0.5541140371681061 Energy: 0.5612205901124534 Energy: 0.4283823578990261 Energy: 0.5720722933792446 Energy: 0.5470405455027915 Energy: 0.42838235789987994 Energy: 0.5541140371703831 Energy: 0.5612205901093228 Energy: 0.42838235789817225 Energy: 0.5835579045881126 Energy: 0.44940042908366046 Energy: 0.5871326393055659 Energy: 0.5835579045858357 Energy: 0.44940042908052974 Energy: 0.5871326393030303 Energy: 0.583557904584982 Energy: 0.44940042908309125 Energy: 0.5871326393027455 Energy: 0.5835579045869742 Energy: 0.5109351758098435 Energy: 0.5603767299679768 Energy: 0.5343454784650253 Energy: 0.5109351758132589 Energy: 0.5603767299682614 Energy: 0.5343454784701482 Energy: 0.5109351758112665 Energy: 0.5603767299679768 Energy: 0.534345478466733 Energy: 0.510935175810128 Energy: 0.4860917504437931 Energy: 0.560756698457845 Energy: 0.4529963803937214 Energy: 0.48609175044237 Energy: 0.5607566984572759 Energy: 0.45300483284847964 Energy: 0.486091750440947 Energy: 0.5607566984606912 Energy: 0.4529963803917291 Energy: 0.4860917504443623 Energy: 0.44933967222609456 Energy: 0.6033921254514072 Energy: 0.5786537034938543 Energy: 0.44933967222467147 Energy: 0.6033921254516917 Energy: 0.5786537034989774 Energy: 0.44933967222609456 Energy: 0.6033921254491303 Energy: 0.5786537034935696 Energy: 0.44933967222467147 Energy: 0.5309654211736682 Energy: 0.45241033699827726 Energy: 0.5665412467770464 Energy: 0.5309654211742374 Energy: 0.45241033699827726 Energy: 0.5665412467776156 Energy: 0.5309654211728403 Energy: 0.4524103369988465 Energy: 0.5665412467756233 Energy: 0.5309654211725557 Energy: 0.5338016758150376 Energy: 0.5608086519337055 Energy: 0.5771676836217574 Energy: 0.5336894604944581 Energy: 0.5608086519300056 Energy: 0.5771676836112267 Energy: 0.5338016758164605 Energy: 0.5608086519288671 Energy: 0.577167683537279 Energy: 0.5336894604984427 Energy: 0.6053197433914445 Energy: 0.6191934564849759 Energy: 0.44924946739855237 Energy: 0.6053197433891676 Energy: 0.6191934564809914 Energy: 0.4492494673971293 Energy: 0.6053197433922984 Energy: 0.619193456481276 Energy: 0.4492494673954216 Energy: 0.6053197433934367 minimum gb energy = 0.42838235789674917 eV minimum distance = 2.55912920142459 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.5597869976947292 Energy: 0.4651836207226462 Energy: 0.47113569769628666 Energy: 0.5448913108593572 Energy: 0.4651836207254238 Energy: 0.47113569769489777 Energy: 0.5597869976975067 Energy: 0.4651836207254238 Energy: 0.47113569769628666 Energy: 0.5448913108593572 Energy: 0.470356640862841 Energy: 0.5044182739410884 Energy: 0.6005297881423473 Energy: 0.4703566408600635 Energy: 0.504418273936922 Energy: 0.6005297881437361 Energy: 0.4703566408614523 Energy: 0.5044182739396996 Energy: 0.6005297881367923 Energy: 0.470356640862841 Energy: 0.5048763531048983 Energy: 0.5210843795545951 Energy: 0.47098354021724576 Energy: 0.5170839698292925 Energy: 0.5210843795573725 Energy: 0.47098354021863453 Energy: 0.5048763530979545 Energy: 0.5210843795587613 Energy: 0.470983540215857 Energy: 0.5170839698265401 Energy: 0.543521666667134 Energy: 0.5342827819724201 Energy: 0.4701949285083558 Energy: 0.5388346357165447 Energy: 0.5305539478596747 Energy: 0.4701949285083558 Energy: 0.5435216666685228 Energy: 0.5342827819779752 Energy: 0.4701949285097446 Energy: 0.538834635715156 Energy: 0.5061672933523547 Energy: 0.5667893734077208 Energy: 0.4935560784516486 Energy: 0.4990419755112745 Energy: 0.5667893734077208 Energy: 0.4935560784474822 Energy: 0.5061672933551322 Energy: 0.5667893734063321 Energy: 0.4935560784502597 Energy: 0.4990419755085222 Energy: 0.46540588917790227 Energy: 0.5412108305094175 Energy: 0.5395025293293301 Energy: 0.4654058891806798 Energy: 0.5412108305121951 Energy: 0.5395025293334964 Energy: 0.4654058891820686 Energy: 0.5412108305149727 Energy: 0.5395025293279413 Energy: 0.4654058891848461 Energy: 0.4711349116423732 Energy: 0.5427177698789248 Energy: 0.4704578740590421 Energy: 0.4711349116395957 Energy: 0.5438819673236455 Energy: 0.4704578740590421 Energy: 0.4711349116423732 Energy: 0.5427177698789248 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0.5105613925931273 Energy: 0.5475412616000557 Energy: 0.6575177810896141 Energy: 0.5105613925881306 Energy: 0.5475412616050522 Energy: 0.6575177810879486 Energy: 0.5173582938708051 Energy: 0.579949601996766 Energy: 0.5173825530403304 Energy: 0.5173582938724707 Energy: 0.579949601996766 Energy: 0.5173825530369993 Energy: 0.5173582938708051 Energy: 0.5799496019934348 Energy: 0.5173825530403304 Energy: 0.5173582938691396 Energy: 0.5426395727107033 Energy: 0.5046430148521364 Energy: 0.6402111261950539 Energy: 0.5426395727107033 Energy: 0.5046428745417508 Energy: 0.6402111261933883 Energy: 0.5426395727140345 Energy: 0.504643014857133 Energy: 0.6402111261983849 Energy: 0.5426395727140345 Energy: 0.5760280731473488 Energy: 0.518874028752499 Energy: 0.5585944118392708 Energy: 0.5760280731490144 Energy: 0.5188740287558302 Energy: 0.5585944118376355 Energy: 0.5760280731473488 Energy: 0.518874028752499 Energy: 0.5585944118376355 Energy: 0.576028073142352 Energy: 0.5562506385946413 Energy: 0.5329226651304964 Energy: 0.5168505511130395 Energy: 0.5562506385929757 Energy: 0.532922665135493 Energy: 0.5168503994318572 Energy: 0.5562506385963069 Energy: 0.5329226651321619 Energy: 0.5168505511180361 Energy: 0.5562506385929757 Energy: 0.5104862991499816 Energy: 0.526470058324142 Energy: 0.5437747811379398 Energy: 0.5104862991533127 Energy: 0.5264700583208107 Energy: 0.5437747811379398 Energy: 0.5104862991516471 Energy: 0.5264700583208107 Energy: 0.5437747811346085 Energy: 0.5104862991516471 Energy: 0.517679767679364 Energy: 0.5537327960860993 Energy: 0.583889635224168 Energy: 0.5176797676826951 Energy: 0.5537327960827682 Energy: 0.5838896352225025 Energy: 0.5176797676843606 Energy: 0.5537327960844338 Energy: 0.583889635224168 Energy: 0.5176797676810294 minimum gb energy = 0.5016494391649133 eV minimum distance = 2.57810411629935 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 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0.5503948583010755 Energy: 0.5434701319253877 Energy: 0.538455681974201 Energy: 0.5503948583010755 Energy: 0.5434701319253877 Energy: 0.538455681974201 Energy: 0.6701266713282998 Energy: 0.5606749225672191 Energy: 0.5150728020386963 Energy: 0.6701266713240522 Energy: 0.5606749225672191 Energy: 0.5150728020374827 Energy: 0.6701266713331543 Energy: 0.5606749225672191 Energy: 0.5150728020386963 Energy: 0.6701266713289068 Energy: 0.5450157873337723 Energy: 0.5617657146217969 Energy: 0.5637185052660433 Energy: 0.5450157873337723 Energy: 0.56176571462541 Energy: 0.5637185052672569 Energy: 0.5450157873337723 Energy: 0.5617657146217969 Energy: 0.5637185052648296 Energy: 0.5450157873337723 Energy: 0.5425951611508892 Energy: 0.5466611041935362 Energy: 0.5723796805806177 Energy: 0.5425951611496755 Energy: 0.5466611041929293 Energy: 0.572379680580011 Energy: 0.5425951611508892 Energy: 0.5466611041935362 Energy: 0.5723796805806177 Energy: 0.5425951611496755 Energy: 0.5870375693387712 Energy: 0.5073882847739482 Energy: 0.5495389515715662 Energy: 0.5870375693387712 Energy: 0.5073882847733413 Energy: 0.5495389515758138 Energy: 0.5870375693387712 Energy: 0.5073882847739482 Energy: 0.5495389515879497 Energy: 0.5870375693387712 Energy: 0.5150160222223955 Energy: 0.5869968398801977 Energy: 0.5177890764873065 Energy: 0.5150160222242158 Energy: 0.5869968398729437 Energy: 0.5177890764873065 Energy: 0.5150160222223955 Energy: 0.5869968399390569 Energy: 0.5177890764873065 Energy: 0.5150160222236091 Energy: 0.6220401803613703 Energy: 0.5218920641383546 Energy: 0.5439508629640898 Energy: 0.6220401803619772 Energy: 0.5218920641371412 Energy: 0.5439508629640898 Energy: 0.6220401803607636 Energy: 0.5218920641377479 Energy: 0.543950862957415 Energy: 0.6220401803619772 minimum gb energy = 0.4976932677240895 eV minimum distance = 2.57896701351967 Angstroms sigma value = 33