Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.487144187092781 cohesive_energy=4.453657130216031 mass=58.6934 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: -8.48587586902969e-25 eV ======================================== theta = 0.0 ======================================== Energy: 0.02094749709268032 Energy: 0.5296092522166641 Energy: 0.5296092522166641 Energy: 0.02094749709268032 Energy: 0.5296092522166641 Energy: 0.5296092522166641 Energy: 0.02094749709268032 Energy: 0.5296092522151107 Energy: 0.5296092522151107 Energy: 0.02094749709268032 Energy: 0.5261003690626354 Energy: 0.025479936472755857 Energy: 0.5258861551422842 Energy: 0.5261003690626354 Energy: 0.025479936472755857 Energy: 0.5258861551422842 Energy: 0.5261003690626354 Energy: 0.025479936474309312 Energy: 0.5258861551422842 Energy: 0.5261003690626354 Energy: 0.6146484120687521 Energy: 0.3168615870777717 Energy: 0.7378278067288845 Energy: 2.345983796378327 Energy: 0.610955102684298 Energy: 0.905107410309152 Energy: 2.2835926761488494 Energy: 0.3168615870762182 Energy: 0.9880962182399926 Energy: 1.524905708828673 Energy: 0.5261003690626354 Energy: 0.5258861551422842 Energy: 0.025479936472755857 Energy: 0.5261003690626354 Energy: 0.5258861551422842 Energy: 0.025479936472755857 Energy: 0.5261003690626354 Energy: 0.5258861551422842 Energy: 0.025479936474309312 Energy: 0.5261003690626354 Energy: 0.02094749709268032 Energy: 0.5296092522151107 Energy: 0.5296092522166641 Energy: 0.02094749709268032 Energy: 0.5296092522151107 Energy: 0.5296092522166641 Energy: 0.02094749709268032 Energy: 0.5296092522151107 Energy: 0.5296092522166641 Energy: 0.02094749709268032 Energy: 0.5261003690626354 Energy: 0.025479936474309312 Energy: 0.5258861551422842 Energy: 0.5261003690626354 Energy: 0.025479936474309312 Energy: 0.5258861551422842 Energy: 0.5261003690626354 Energy: 0.025479936474309312 Energy: 0.5258861551422842 Energy: 0.5261003690626354 Energy: 1.1370028667841179 Energy: 0.021523400245548583 Energy: 0.3212819305585528 Energy: 1.1369928790412422 Energy: 0.021523400245548583 Energy: 0.3212819305585528 Energy: 1.1369840480153972 Energy: 0.021523400245548583 Energy: 0.3212819305585528 Energy: 1.524905708828673 minimum gb energy = 0.02094749709268032 eV minimum distance = 2.13766761409696 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.3755303785926196 Energy: 1.459581475074181 Energy: 1.4605744909848517 Energy: 1.2158403307989698 Energy: 1.459581475074181 Energy: 1.4605744909848517 Energy: 1.3755303785926196 Energy: 1.459581475074181 Energy: 1.4605744909848517 Energy: 1.2158403307989698 Energy: 1.2560316414559556 Energy: 1.2729597719857002 Energy: 1.4234253670299957 Energy: 1.2560316404746374 Energy: 1.2729597719857002 Energy: 1.4234253670299957 Energy: 1.2560316403110843 Energy: 1.2729597719857002 Energy: 1.4234253670299957 Energy: 1.2560316414064885 Energy: 1.3474614249727432 Energy: 1.4629738411068658 Energy: 1.4358807339266872 Energy: 1.419796259833832 Energy: 1.4629738411030608 Energy: 1.4358807364445316 Energy: 1.3474614249727432 Energy: 1.4629738411030608 Energy: 1.4358807300584928 Energy: 1.419796259833832 Energy: 1.4613987770980958 Energy: 1.6045773552064015 Energy: 1.110222840883089 Energy: 1.4613987770980958 Energy: 1.6045773552064015 Energy: 1.110222840883089 Energy: 1.4613987770980958 Energy: 1.6045773552064015 Energy: 1.110222840879284 Energy: 1.461398777101901 Energy: 1.062328025469428 Energy: 1.493336993362994 Energy: 1.5062035413693071 Energy: 1.062328025473233 Energy: 1.485262270325536 Energy: 1.4855206414815931 Energy: 1.062328025473233 Energy: 1.493336993362994 Energy: 1.5062035413693071 Energy: 1.062328025473233 Energy: 1.4726131351353762 Energy: 1.1044062334466527 Energy: 1.6326314476239698 Energy: 1.4726131351353762 Energy: 1.1044062332336326 Energy: 1.6326314476239698 Energy: 1.4726131351353762 Energy: 1.10440623317275 Energy: 1.6326314476239698 Energy: 1.4726131351353762 Energy: 1.550270092935286 Energy: 1.1096583462166938 Energy: 1.4718784016646755 Energy: 1.550270092935286 Energy: 1.1096583462166938 Energy: 1.471878401672286 Energy: 1.550270092935286 Energy: 1.1096583462166938 Energy: 1.4718784016646755 Energy: 1.550270092935286 Energy: 1.4220507433533331 Energy: 1.5128000203394532 Energy: 1.3154456906978969 Energy: 1.4220507433533331 Energy: 1.5128000203394532 Energy: 1.3153831709078199 Energy: 1.422050743349528 Energy: 1.5128000203394532 Energy: 1.3154456906978969 Energy: 1.422050743349528 Energy: 1.2204114738566625 Energy: 1.4574124296243902 Energy: 1.4617497098887484 Energy: 1.3291302140628944 Energy: 1.4574124296243902 Energy: 1.4617497098887484 Energy: 1.2204114738566625 Energy: 1.4574124296243902 Energy: 1.4617497098887484 Energy: 1.3291302140666996 Energy: 1.4562053581609262 Energy: 1.4673135478550845 Energy: 1.2442031621021366 Energy: 1.3417254832071754 Energy: 1.4673135478626946 Energy: 1.10145264142802 Energy: 1.4562053581609262 Energy: 1.4673135497834044 Energy: 1.2442031621021366 Energy: 1.3417254832071754 Energy: 1.569089997437942 Energy: 1.2735235475704376 Energy: 1.2555949183505835 Energy: 1.569089997437942 Energy: 1.2735235475704376 Energy: 1.2555949183505835 Energy: 1.569089997437942 Energy: 1.2735235475666327 Energy: 1.2555949183505835 Energy: 1.569089997437942 Energy: 1.4609825328332868 Energy: 1.4592028255770875 Energy: 1.1097764481545707 Energy: 1.4609825328332868 Energy: 1.4592028255770875 Energy: 1.1097764481545707 Energy: 1.460982532837092 Energy: 1.4592028255770875 Energy: 1.1097764481545707 Energy: 1.4609825328332868 Energy: 1.2196775671152429 Energy: 1.6623727213673014 Energy: 1.3061415165062258 Energy: 1.2196775671152429 Energy: 1.5873867644526947 Energy: 1.3061415165100307 Energy: 1.2196775671152429 Energy: 1.6623727213673014 Energy: 1.3061415165062258 Energy: 1.2196775671152429 Energy: 1.2675429436448662 Energy: 1.4407307188346903 Energy: 1.4876610750100572 Energy: 1.2675427412085243 Energy: 1.3249070443634055 Energy: 1.4876610750100572 Energy: 1.2675427233664416 Energy: 1.4407307188346903 Energy: 1.4876610750100572 Energy: 1.267542889757197 Energy: 1.5535097001085296 Energy: 1.11003290460569 Energy: 1.5540173683079457 Energy: 1.5535097001085296 Energy: 1.11003290460569 Energy: 1.5540173683041403 Energy: 1.5535097001047244 Energy: 1.11003290460569 Energy: 1.5540173683041403 Energy: 1.5535097001085296 Energy: 1.5108344758594177 Energy: 1.4154322831429684 Energy: 1.272911791194509 Energy: 1.5108344758594177 Energy: 1.4154322831467738 Energy: 1.2731414903969165 Energy: 1.5108344758594177 Energy: 1.4154322831429684 Energy: 1.272911791194509 Energy: 1.5108344758594177 Energy: 1.2946850465981334 Energy: 1.5970941320003027 Energy: 1.61737718045432 Energy: 1.2946850465981334 Energy: 1.5970941320003027 Energy: 1.61737718045432 Energy: 1.2946850465981334 Energy: 1.5970941320003027 Energy: 1.61737718045432 Energy: 1.2946850465981334 Energy: 1.3304560999682122 Energy: 1.461077525529082 Energy: 1.4597326380838365 Energy: 1.1561751167150267 Energy: 1.461077525529082 Energy: 1.4597326380838365 Energy: 1.3304560999682122 Energy: 1.461077525529082 Energy: 1.4597326380876416 Energy: 1.1561751167150267 Energy: 1.4229771738073842 Energy: 1.3154960156294093 Energy: 1.4229280813851963 Energy: 1.4229771738073842 Energy: 1.3154960156294093 Energy: 1.4229280813851963 Energy: 1.4229771738035792 Energy: 1.3154960156294093 Energy: 1.4229280813851963 Energy: 1.4229771738073842 Energy: 1.460039405047514 Energy: 1.4619804751146657 Energy: 1.1101811626902545 Energy: 1.460039405047514 Energy: 1.4619804751146657 Energy: 1.1101811626902545 Energy: 1.460039405047514 Energy: 1.4619804751146657 Energy: 1.1101811626864493 Energy: 1.460039405047514 Energy: 1.4670459435135326 Energy: 1.3470049397496089 Energy: 1.1101959313735223 Energy: 1.467045947712569 Energy: 1.2231133763765099 Energy: 1.1101959313735223 Energy: 1.467045943593372 Energy: 1.3470049397496089 Energy: 1.1101959313735223 Energy: 1.4670459421024382 Energy: 1.0621710431503602 Energy: 1.5059281483459535 Energy: 1.4938080244837129 Energy: 1.0621710431503602 Energy: 1.4901676565328865 Energy: 1.4855796729425124 Energy: 1.0621710431503602 Energy: 1.5059281483459535 Energy: 1.4938080244837129 Energy: 1.0621710431503602 Energy: 1.4606752415981852 Energy: 1.109666431379473 Energy: 1.5511418854357728 Energy: 1.4606752415981852 Energy: 1.109666431379473 Energy: 1.5511418854357728 Energy: 1.4606752415981852 Energy: 1.109666431379473 Energy: 1.5511418854357728 Energy: 1.4606752415981852 Energy: 1.2975227520655017 Energy: 1.5834216310683962 Energy: 1.2677180338115956 Energy: 1.2975227520655017 Energy: 1.5834216310683962 Energy: 1.2677180338115956 Energy: 1.2975227520655017 Energy: 1.5834216310683962 Energy: 1.2677180338115956 Energy: 1.2975227520655017 Energy: 1.2972392839450044 Energy: 1.5100132929465526 Energy: 1.2735148803538032 Energy: 1.2972392839411995 Energy: 1.5100132929465526 Energy: 1.2736026335634802 Energy: 1.2972392839450044 Energy: 1.5100132929465526 Energy: 1.2735148803538032 Energy: 1.2972392839450044 Energy: 1.2210987359702117 Energy: 1.459581475074181 Energy: 1.4605744909848517 Energy: 1.3297165391355905 Energy: 1.459581475074181 Energy: 1.4605744909848517 Energy: 1.2210987359664065 Energy: 1.459581475074181 Energy: 1.4605744909848517 Energy: 1.3297165391355905 Energy: 1.2560316425855367 Energy: 1.2729597719857002 Energy: 1.4234253670299957 Energy: 1.2560316413570212 Energy: 1.2729597719857002 Energy: 1.4234253670299957 Energy: 1.256031641657491 Energy: 1.2729597719857002 Energy: 1.4234253670299957 Energy: 1.2560316403377205 Energy: 1.2190314895288241 Energy: 1.4629738411030608 Energy: 1.4358807371786524 Energy: 1.3466677035643482 Energy: 1.4629738411030608 Energy: 1.435880726574551 Energy: 1.2190314895212135 Energy: 1.4629738411030608 Energy: 1.435880736988463 Energy: 1.3466677035643482 Energy: 1.4613987770980958 Energy: 1.6045773552064015 Energy: 1.110222840883089 Energy: 1.4613987770980958 Energy: 1.6045773552064015 Energy: 1.110222840883089 Energy: 1.4613987770980958 Energy: 1.6045773552064015 Energy: 1.110222840879284 Energy: 1.461398777101901 minimum gb energy = 1.0621710431503602 eV minimum distance = 2.31743792409868 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.6676089039747066 Energy: 1.2646637743422726 Energy: 1.2647648987788196 Energy: 1.6044612740772748 Energy: 1.2646637743422726 Energy: 1.2647648987788196 Energy: 1.6676089039747066 Energy: 1.2646637743422726 Energy: 1.2647648987788196 Energy: 1.6044612740772748 Energy: 1.2653672088688868 Energy: 1.3243712080737755 Energy: 1.5042337553041054 Energy: 1.2653672088688868 Energy: 1.3243712080737755 Energy: 1.5042337553115324 Energy: 1.2653672088688868 Energy: 1.3243712080719188 Energy: 1.5042337553096758 Energy: 1.2653672088688868 Energy: 1.3867289870184452 Energy: 1.3193328067337868 Energy: 1.2701413366060954 Energy: 1.4066699127798628 Energy: 1.3193328067337868 Energy: 1.2701413366060954 Energy: 1.3867289870184452 Energy: 1.3193328067337868 Energy: 1.2701413366060954 Energy: 1.4066699127798628 Energy: 1.5466660880213448 Energy: 1.5473216383432893 Energy: 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1.2719246206572703 Energy: 1.3082353740393486 minimum gb energy = 1.2258350859860434 eV minimum distance = 2.23169336057129 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 1.1862078976063621 Energy: 0.6789980982469874 Energy: 0.6787474182199315 Energy: 0.9060940880386753 Energy: 0.6789980982469874 Energy: 0.6787474182199315 Energy: 1.1862078976067234 Energy: 0.6789980982463252 Energy: 0.6787474182199315 Energy: 0.9060940880386753 Energy: 1.0807421124731071 Energy: 0.6661275460935799 Energy: 0.883095679548881 Energy: 0.9550935932655279 Energy: 0.6661275460938811 Energy: 0.8230149960355951 Energy: 1.0807421124737695 Energy: 0.6661275460942424 Energy: 0.8830956795485799 Energy: 0.9550935932655279 Energy: 0.9151063635685353 Energy: 0.7052290819960578 Energy: 0.842507292735047 Energy: 0.9063301355523596 Energy: 0.7052290819964191 Energy: 0.8508230988058328 Energy: 0.9151063635685353 Energy: 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1.667904633552574 Energy: 1.6336149986590947 Energy: 1.6682867627291464 Energy: 1.667904633552574 Energy: 1.6336149986590947 Energy: 1.6682867627291464 Energy: 1.667904633552574 Energy: 1.6336149986590947 Energy: 1.6682867627291464 Energy: 1.667904633552574 Energy: 1.7446706040796751 Energy: 1.634498811726401 Energy: 1.7996940090189788 Energy: 1.7446706040796751 Energy: 1.634498811726401 Energy: 1.7996940090189788 Energy: 1.7446706040796751 Energy: 1.634498811726401 Energy: 1.7996940090189788 Energy: 1.7446706040796751 Energy: 1.7185949102950553 Energy: 1.6340159832692962 Energy: 1.6864486816466338 Energy: 1.7185949102950553 Energy: 1.6340159832692962 Energy: 1.6864486816466338 Energy: 1.7185949102950553 Energy: 1.6340159832692962 Energy: 1.6864486816466338 Energy: 1.7185949102950553 Energy: 1.633830627581468 Energy: 1.7912764570112216 Energy: 1.752769427853961 Energy: 1.633830627584186 Energy: 1.7912764570112216 Energy: 1.752769427853961 Energy: 1.633830627581468 Energy: 1.7912764570112216 Energy: 1.752769427853961 Energy: 1.633830627581468 Energy: 1.6358795343745556 Energy: 1.634125671583063 Energy: 1.7194132769524342 Energy: 1.6358795343745556 Energy: 1.634125671583063 Energy: 1.7194132769524342 Energy: 1.6358795343745556 Energy: 1.634125671583063 Energy: 1.7194132769524342 Energy: 1.6358795343745556 Energy: 1.8065000584397637 Energy: 1.6976646550314949 Energy: 1.6973872200938485 Energy: 1.8065000584397637 Energy: 1.6976646550314949 Energy: 1.6973872200938485 Energy: 1.8065000584397637 Energy: 1.6976646550314949 Energy: 1.6973872200938485 Energy: 1.8065000584397637 Energy: 1.635810049626884 Energy: 1.7196804688720384 Energy: 1.6341439263579218 Energy: 1.635810049626884 Energy: 1.7196804688720384 Energy: 1.6341439263552038 Energy: 1.635810049626884 Energy: 1.7196804688720384 Energy: 1.6341439263552038 Energy: 1.635810049626884 Energy: 1.6337712821717592 Energy: 1.752772268138949 Energy: 1.7912097915424348 Energy: 1.6337712821717592 Energy: 1.752772268138949 Energy: 1.7912097915424348 Energy: 1.6337712821717592 Energy: 1.752772268138949 Energy: 1.7912097915424348 Energy: 1.6337712821717592 Energy: 1.7183023405344708 Energy: 1.686769904099478 Energy: 1.634010197280477 Energy: 1.7183023405344708 Energy: 1.686769904099478 Energy: 1.634010197280477 Energy: 1.7183023405344708 Energy: 1.686769904099478 Energy: 1.634010197280477 Energy: 1.7183023405344708 Energy: 1.7446716178124597 Energy: 1.8003201120463919 Energy: 1.6345062839001472 Energy: 1.7446716178124597 Energy: 1.8003201120463919 Energy: 1.6345062839001472 Energy: 1.7446716178124597 Energy: 1.8003201120463919 Energy: 1.6345062839001472 Energy: 1.7446716178124597 minimum gb energy = 1.6336149986590947 eV minimum distance = 2.2101267301766 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.6545772372402257 Energy: 1.656072721527661 Energy: 1.6561037502955729 Energy: 1.6545772372402257 Energy: 1.656072721527661 Energy: 1.6561037502965557 Energy: 1.6545772372402257 Energy: 1.656072721527661 Energy: 1.6561037502960645 Energy: 1.6545772372402257 Energy: 1.651969692116447 Energy: 1.6549440978721859 Energy: 1.6551987668388057 Energy: 1.651969692115956 Energy: 1.6549440978721859 Energy: 1.6551987668388057 Energy: 1.651969692116447 Energy: 1.6549440978716945 Energy: 1.6551987668388057 Energy: 1.651969692115956 Energy: 1.6534136433285436 Energy: 1.6539608285804153 Energy: 1.8191089617535663 Energy: 1.6534136433285436 Energy: 1.6539608285804153 Energy: 1.8191089615016915 Energy: 1.6534136433285436 Energy: 1.6539608285804153 Energy: 1.8191089604941035 Energy: 1.6534136433285436 Energy: 1.8191067860434889 Energy: 1.6537335453625956 Energy: 1.6534245681021338 Energy: 1.8191067857665606 Energy: 1.6537335453625956 Energy: 1.6534245681021338 Energy: 1.8191067856801462 Energy: 1.6537335453625956 Energy: 1.6534245681021338 Energy: 1.8191067859511794 Energy: 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1.6534245681021338 Energy: 1.8191067860660863 Energy: 1.6553974976629007 Energy: 1.6549726054444969 Energy: 1.6520381105197541 Energy: 1.6553974976629007 Energy: 1.6549726054444969 Energy: 1.6520381105192627 Energy: 1.655397497663392 Energy: 1.6549726054440057 Energy: 1.6520381105192627 Energy: 1.655397497663392 Energy: 1.656072721527661 Energy: 1.6561037502960645 Energy: 1.6545772372402257 Energy: 1.6560727215281523 Energy: 1.6561037502960645 Energy: 1.6545772372402257 Energy: 1.656072721527661 Energy: 1.6561037502955729 Energy: 1.6545772372402257 Energy: 1.656072721527661 Energy: 1.6549440978721859 Energy: 1.6551987668388057 Energy: 1.6519696921154647 Energy: 1.6549440978716945 Energy: 1.6551987668388057 Energy: 1.651969692115956 Energy: 1.6549440978716945 Energy: 1.6551987668388057 Energy: 1.651969692116447 Energy: 1.6549440978721859 minimum gb energy = 1.6519696921154647 eV minimum distance = 2.26780666149561 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.6918685410490173 Energy: 1.7241552689538475 Energy: 1.7246435098435429 Energy: 1.665248064756197 Energy: 1.7241552689516209 Energy: 1.7246435098435429 Energy: 1.6918685410490173 Energy: 1.7241552689516209 Energy: 1.7246435098435429 Energy: 1.6652480647584238 Energy: 1.6249343204742577 Energy: 1.6236651436055465 Energy: 1.6059422268654324 Energy: 1.6249343204742577 Energy: 1.6236651436033196 Energy: 1.6059422268654324 Energy: 1.6249343204742577 Energy: 1.6236651436033196 Energy: 1.6059422268654324 Energy: 1.6249343204742577 Energy: 1.670217680163201 Energy: 1.6762141666131993 Energy: 1.8901872985704589 Energy: 1.670217680163201 Energy: 1.6762141666131993 Energy: 1.8901872985704589 Energy: 1.670217680163201 Energy: 1.6762141666131993 Energy: 1.8901872985704589 Energy: 1.670217680163201 Energy: 1.5984763098002104 Energy: 1.6760539692601966 Energy: 1.5979286866291507 Energy: 1.5984763098002104 Energy: 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1.7002189338352427 Energy: 1.621406928890101 Energy: 1.7148293114988489 Energy: 1.7002189338352427 Energy: 1.621406928890101 Energy: 1.8110123391613053 Energy: 1.6449237882160441 Energy: 1.6446653658232557 Energy: 1.8110123391613053 Energy: 1.6449237882160441 Energy: 1.6446653658232557 Energy: 1.8110123391613053 Energy: 1.6449237882160441 Energy: 1.6446653658232557 Energy: 1.8110123391613053 Energy: 1.6452163510555822 Energy: 1.5831960254577089 Energy: 1.738066381849004 Energy: 1.6452163510555822 Energy: 1.5831960254577089 Energy: 1.738066381849004 Energy: 1.6452163510555822 Energy: 1.5831960254577089 Energy: 1.738066381849004 Energy: 1.6452163510555822 Energy: 1.6782440173062982 Energy: 1.7600260490511705 Energy: 1.6780687432196209 Energy: 1.6782440173062982 Energy: 1.7600260490511705 Energy: 1.6780687432196209 Energy: 1.6782440173062982 Energy: 1.7600260490533974 Energy: 1.6780687432196209 Energy: 1.6782440173062982 Energy: 1.6453731220493186 Energy: 1.5914461225428806 Energy: 1.6990832500825663 Energy: 1.6453731220493186 Energy: 1.5914456261300547 Energy: 1.6990832500825663 Energy: 1.6453731220493186 Energy: 1.5914461225428806 Energy: 1.6990832500825663 Energy: 1.6453731220493186 Energy: 1.6198011822019902 Energy: 1.6101165824631674 Energy: 1.8092864775053408 Energy: 1.6198011821997633 Energy: 1.6101165824631674 Energy: 1.8092864775053408 Energy: 1.6198011821997633 Energy: 1.6101165824631674 Energy: 1.8092864775075674 Energy: 1.6198011822019902 Energy: 1.6070500673456196 Energy: 1.6571952716800586 Energy: 1.6112652737748658 Energy: 1.6070500673456196 Energy: 1.6571952716822855 Energy: 1.6112757464751533 Energy: 1.6070500673456196 Energy: 1.6571952716822855 Energy: 1.6112652737726392 Energy: 1.6070500673456196 Energy: 1.583274181532383 Energy: 1.6663792040680832 Energy: 1.828692725106703 Energy: 1.5832741815346094 Energy: 1.66637920407031 Energy: 1.828692725106703 Energy: 1.5832741815346094 Energy: 1.66637920407031 Energy: 1.828692725106703 Energy: 1.5832741815346094 Energy: 1.6114057980609784 Energy: 1.8047442530974358 Energy: 1.5940102460552628 Energy: 1.6114057980609784 Energy: 1.8047442530974358 Energy: 1.5940102460552628 Energy: 1.6114057980609784 Energy: 1.8047442530974358 Energy: 1.594010246053036 Energy: 1.6114057980587517 minimum gb energy = 1.581325839377166 eV minimum distance = 2.21858794983795 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.5118149806123853 Energy: 1.5104359532007503 Energy: 1.5103450869019943 Energy: 1.5118149806123853 Energy: 1.5104359532007503 Energy: 1.5103450869019943 Energy: 1.511814980611574 Energy: 1.5104359532007503 Energy: 1.5103450869019943 Energy: 1.511814980611574 Energy: 1.5682742013509987 Energy: 1.4819492111750487 Energy: 1.5044288745898202 Energy: 1.5682742010006798 Energy: 1.4819492111750487 Energy: 1.5044288745898202 Energy: 1.5682742016656217 Energy: 1.4819492111750487 Energy: 1.5044288745898202 Energy: 1.56827420192589 Energy: 1.6649269307219918 Energy: 1.4694699899962729 Energy: 1.6810160892672374 Energy: 1.6649269307219918 Energy: 1.4694699899962729 Energy: 1.6802814512485056 Energy: 1.6649269307219918 Energy: 1.4694699899962729 Energy: 1.6810043618956843 Energy: 1.6649269307219918 Energy: 1.508469145001579 Energy: 1.6707122260739742 Energy: 1.5531873035255381 Energy: 1.5084691449140362 Energy: 1.6707122260747855 Energy: 1.5531873035255381 Energy: 1.508469144967506 Energy: 1.6707122260747855 Energy: 1.5531873035255381 Energy: 1.5084691446245624 Energy: 1.5543724816709634 Energy: 1.498235492825936 Energy: 1.6482741453460867 Energy: 1.5543724816709634 Energy: 1.498235492825936 Energy: 1.6482741453460867 Energy: 1.5543724816709634 Energy: 1.498235492825936 Energy: 1.6482741453460867 Energy: 1.5543724816709634 Energy: 1.555900401649857 Energy: 1.7316894557763662 Energy: 1.4824309113104683 Energy: 1.555900401649857 Energy: 1.7316894557763662 Energy: 1.4824309113104683 Energy: 1.555900401649857 Energy: 1.7316894557763662 Energy: 1.4824309113104683 Energy: 1.555900401649857 Energy: 1.568007838602111 Energy: 1.5215836656339032 Energy: 1.4700654576429475 Energy: 1.5680078386012997 Energy: 1.5215836656339032 Energy: 1.4700654576429475 Energy: 1.568007838602111 Energy: 1.5215836656339032 Energy: 1.4700654576429475 Energy: 1.5680078386004885 Energy: 1.533154450287352 Energy: 1.7657309033171829 Energy: 1.4915303249928893 Energy: 1.533154450287352 Energy: 1.7657309033171829 Energy: 1.491530324997757 Energy: 1.5331544502905972 Energy: 1.7657309033171829 Energy: 1.4915303249863991 Energy: 1.5331544502857295 Energy: 1.7441632691973847 Energy: 1.4993608438735975 Energy: 1.4981016099439823 Energy: 1.7441632691973847 Energy: 1.4993608438735975 Energy: 1.4981016099439823 Energy: 1.744163269198196 Energy: 1.4993608438735975 Energy: 1.4981016099439823 Energy: 1.7441632691973847 Energy: 1.6534040542303134 Energy: 1.5565387919316303 Energy: 1.669998005717124 Energy: 1.6534040542303134 Energy: 1.5565387919316303 Energy: 1.6699980023429282 Energy: 1.6534040542303134 Energy: 1.5565387919324416 Energy: 1.669998001900199 Energy: 1.6534040542303134 Energy: 1.6368411466864086 Energy: 1.6369765385872386 Energy: 1.5372838622180003 Energy: 1.6368411466864086 Energy: 1.6369765385872386 Energy: 1.5372838622180003 Energy: 1.6368411466864086 Energy: 1.6369765385880497 Energy: 1.5372838622180003 Energy: 1.6368411466864086 Energy: 1.5564120764840566 Energy: 1.480878273249348 Energy: 1.5106667177231867 Energy: 1.5564120764840566 Energy: 1.480878273249348 Energy: 1.5106667177223754 Energy: 1.5564120764840566 Energy: 1.480878273249348 Energy: 1.5106667177223754 Energy: 1.5564120764840566 Energy: 1.4981284790435527 Energy: 1.573274761651614 Energy: 1.497874248773652 Energy: 1.4981284790443639 Energy: 1.5732747616816312 Energy: 1.4978742487744632 Energy: 1.4981284790443639 Energy: 1.5732747617019127 Energy: 1.497874248773652 Energy: 1.4981284790443639 Energy: 1.5072918369060837 Energy: 1.5084416361686648 Energy: 1.4960952237243619 Energy: 1.5072918369052724 Energy: 1.5084416361686648 Energy: 1.4960952237243619 Energy: 1.5072918369052724 Energy: 1.5084416361686648 Energy: 1.4960952237243619 Energy: 1.5072918369060837 minimum gb energy = 1.4694699899962729 eV minimum distance = 2.22892852574164 Angstroms sigma value = 33