Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 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=3.519999861717225 cohesive_energy=4.450349981660022 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.02054022835074045 Energy: 0.4975365670672202 Energy: 0.4975365670672202 Energy: 0.02054022835074045 Energy: 0.4975365670672202 Energy: 0.4975365670656956 Energy: 0.02054022835074045 Energy: 0.4975365670672202 Energy: 0.4975365670672202 Energy: 0.020540228349215862 Energy: 0.49385008013324977 Energy: 0.025281335441523917 Energy: 0.4938581754410306 Energy: 0.49385008013324977 Energy: 0.025281335439999327 Energy: 0.4938581754410306 Energy: 0.49385008013324977 Energy: 0.025281335441523917 Energy: 0.4938581754410306 Energy: 0.49385008013324977 Energy: 1.6142489096647994 Energy: 0.021689937756282703 Energy: 0.021689937756282703 Energy: 0.5644972814392343 Energy: 0.021689937756282703 Energy: 0.2813524107905973 Energy: 2.0795544221318605 Energy: 0.021689937754758113 Energy: 0.8704019450647476 Energy: 1.4042825464670252 Energy: 0.49385008013324977 Energy: 0.49385817543950594 Energy: 0.025281335441523917 Energy: 0.4938500801347744 Energy: 0.49385817543950594 Energy: 0.025281335438474738 Energy: 0.49385008013324977 Energy: 0.49385817543950594 Energy: 0.025281335439999327 Energy: 0.49385008013324977 Energy: 0.02054022835226504 Energy: 0.4975365670672202 Energy: 0.4975365670672202 Energy: 0.02054022835074045 Energy: 0.4975365670656956 Energy: 0.4975365670687448 Energy: 0.02054022835074045 Energy: 0.4975365670672202 Energy: 0.4975365670672202 Energy: 0.02054022835074045 Energy: 0.4938500801347744 Energy: 0.025281335441523917 Energy: 0.49385817543950594 Energy: 0.49385008013324977 Energy: 0.025281335439999327 Energy: 0.4938581754410306 Energy: 0.49385008013324977 Energy: 0.025281335438474738 Energy: 0.4938581754410306 Energy: 0.4938500801347744 Energy: 0.777199143256963 Energy: 0.5376729127096106 Energy: 0.021689937754758113 Energy: 0.9604480892249458 Energy: 0.28135241078907275 Energy: 0.021689937756282703 Energy: 1.0418654244317014 Energy: 0.021689937756282703 Energy: 0.5056348582356467 Energy: 1.0418907777667104 minimum gb energy = 0.020540228349215862 eV minimum distance = 2.29457364599805 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.188826494354618 Energy: 1.385024654509827 Energy: 1.3851646429599576 Energy: 1.1419348313049382 Energy: 1.385024654509827 Energy: 1.3851646429599576 Energy: 1.1888264943583524 Energy: 1.3850246545135614 Energy: 1.3851646429562232 Energy: 1.1419348313049382 Energy: 1.187573997334967 Energy: 1.0956028128877415 Energy: 1.406395430608534 Energy: 1.1875739973237636 Energy: 1.0956028128728041 Energy: 1.4063954306047997 Energy: 1.1875739972678143 Energy: 1.0956028128802726 Energy: 1.4063954306047997 Energy: 1.1875739973723116 Energy: 1.2335807190088344 Energy: 1.2848607044779028 Energy: 1.442002467620192 Energy: 1.1955429969547962 Energy: 1.2848607788726987 Energy: 1.4420024676276606 Energy: 1.2335807190013657 Energy: 1.2848609011146663 Energy: 1.442002467620192 Energy: 1.195542996962265 Energy: 1.3861998711721792 Energy: 1.49511213099984 Energy: 1.0502800549349742 Energy: 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1.3431330521470717 Energy: 1.3434224513732276 Energy: 1.134292450185867 Energy: 1.3431330521582752 Energy: 1.3434224513732276 Energy: 1.1342818463523656 Energy: 1.3431330521545406 Energy: 1.3434224513620245 Energy: 1.1342924501933362 Energy: 1.343133052135868 Energy: 1.1457245283465987 Energy: 1.3844319910209046 Energy: 1.3860609732089588 Energy: 1.145789656863128 Energy: 1.3844319910321077 Energy: 1.38606097320149 Energy: 1.1457245283540676 Energy: 1.3844319910321077 Energy: 1.38606097320149 Energy: 1.1457896568668624 Energy: 1.2613253769143367 Energy: 1.3870638239673792 Energy: 1.2692543822902902 Energy: 1.262048404612644 Energy: 1.38706382395991 Energy: 1.2766362332362298 Energy: 1.261325376918071 Energy: 1.3870638239785826 Energy: 1.2692543822902902 Energy: 1.262048387269998 Energy: 1.455279015674232 Energy: 1.0958427531693709 Energy: 1.1874748114229732 Energy: 1.4552790156929043 Energy: 1.0958427531768395 Energy: 1.1874748114267077 Energy: 1.4552790156817008 Energy: 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1.3448060752577113 Energy: 1.0027287935304514 Energy: 1.3848499461695472 Energy: 1.0503884558416139 Energy: 1.4680414150801355 Energy: 1.384849946162078 Energy: 1.0503884558416139 Energy: 1.4680414150913386 Energy: 1.3848499461732817 Energy: 1.0503884558304108 Energy: 1.4680414150988077 Energy: 1.3848499461732817 Energy: 1.1179439953663537 Energy: 1.4702248780537357 Energy: 1.1992777317555448 Energy: 1.1179439953514159 Energy: 1.4702248780574698 Energy: 1.199277731759279 Energy: 1.1179439953476813 Energy: 1.4702248780574698 Energy: 1.1992777317630137 Energy: 1.1179439953551504 Energy: 1.1874296514246636 Energy: 1.4182398660942335 Energy: 1.0958575211717498 Energy: 1.187429651435867 Energy: 1.41823986608303 Energy: 1.0958739711613952 Energy: 1.1874296514321327 Energy: 1.418239866075561 Energy: 1.09585752118662 Energy: 1.187429651435867 Energy: 1.1461704091003662 Energy: 1.385024654509827 Energy: 1.3851646429599576 Energy: 1.146706155278652 Energy: 1.3850246545210303 Energy: 1.3851646429636921 Energy: 1.1461704090928975 Energy: 1.3850246545210303 Energy: 1.3851646429636921 Energy: 1.146706155271183 Energy: 1.1875739973013566 Energy: 1.095602812891476 Energy: 1.406395430608534 Energy: 1.1875739973050912 Energy: 1.0956028128765383 Energy: 1.406395430608534 Energy: 1.1875739973499047 Energy: 1.0956028128802726 Energy: 1.4063954306047997 Energy: 1.187573997320029 Energy: 1.1693110688441855 Energy: 1.2848608340212224 Energy: 1.4420024676351297 Energy: 1.264204205152786 Energy: 1.2848608111390765 Energy: 1.4420024676239263 Energy: 1.169311068832982 Energy: 1.2848607197413355 Energy: 1.4420024676015875 Energy: 1.2642042051565203 Energy: 1.3861998711759138 Energy: 1.49511213099984 Energy: 1.0502800549312397 Energy: 1.3861998711833827 Energy: 1.4951121310147777 Energy: 1.0502800549200362 Energy: 1.3861998711796484 Energy: 1.4951121310147777 Energy: 1.0502800549349742 Energy: 1.3861998711721792 minimum gb energy = 1.0027287935229825 eV minimum distance = 2.33084248013309 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.4724459851521985 Energy: 1.167230859699253 Energy: 1.1673388110750116 Energy: 1.3633730217567954 Energy: 1.1672308596956085 Energy: 1.1673388110823006 Energy: 1.4724459851449094 Energy: 1.1672308596956085 Energy: 1.1673388110731895 Energy: 1.3633730217567954 Energy: 1.1720449619919178 Energy: 1.4447628746730146 Energy: 1.3941331282069536 Energy: 1.1720449619937399 Energy: 1.444762874662081 Energy: 1.3941331282033091 Energy: 1.1720449619809845 Energy: 1.444762874662081 Energy: 1.394133128192376 Energy: 1.1720449619919178 Energy: 1.2673438021003394 Energy: 1.3063484471594922 Energy: 1.1722479389771907 Energy: 1.408167351134011 Energy: 1.3063484471686033 Energy: 1.1722479389680793 Energy: 1.267343802105806 Energy: 1.3063484471722477 Energy: 1.1722479389790128 Energy: 1.408167351134011 Energy: 1.3950586213513922 Energy: 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Energy: 1.4042913377554056 Energy: 1.1671641800716261 Energy: 1.3081445487778307 Energy: 1.3669332541538557 Energy: 1.167164180073448 Energy: 1.279469768031232 Energy: 1.4042913377554056 Energy: 1.1671641800807373 Energy: 1.3081445487814753 Energy: 1.3669332541611448 Energy: 1.395873409211613 Energy: 1.4513356409448586 Energy: 1.3945633818378467 Energy: 1.3958734092189018 Energy: 1.4513356409357474 Energy: 1.39456338183238 Energy: 1.3958734092189018 Energy: 1.4513356409375697 Energy: 1.3945633818287355 Energy: 1.39587340921708 Energy: 1.381650119103062 Energy: 1.3641831714792396 Energy: 1.335964215504423 Energy: 1.345185688957122 Energy: 1.3444440249056886 Energy: 1.3359642154934896 Energy: 1.381650119121284 Energy: 1.3641831714956398 Energy: 1.3359642154953115 Energy: 1.345185688948044 Energy: 1.3637218894481928 Energy: 1.4470626640900957 Energy: 1.237519672559403 Energy: 1.3466944122606608 Energy: 1.4470626640992066 Energy: 1.2375196725612254 Energy: 1.3637218894481928 Energy: 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1.3853551642910598 Energy: 1.4807769017201675 Energy: 1.4064767894586416 Energy: 1.3866902798774636 Energy: 1.4807769017181118 Energy: 1.40647678945453 Energy: 1.3866902798733522 Energy: 1.4807769017160561 Energy: 1.4064767894606975 Energy: 1.3866902798671847 Energy: 1.4807769017201675 Energy: 1.4223159643714138 Energy: 1.4925967414230368 Energy: 1.4004982167719857 Energy: 1.4223159643714138 Energy: 1.4925967414250925 Energy: 1.4004982167678741 Energy: 1.4241299805366108 Energy: 1.4925967414250925 Energy: 1.4004982167638 Energy: 1.4198767267552062 Energy: 1.3816796298188316 Energy: 1.446452884097192 Energy: 1.3715162803118848 Energy: 1.381679629822943 Energy: 1.4464528841033593 Energy: 1.3715162803118848 Energy: 1.3816796298208875 Energy: 1.4464528841054152 Energy: 1.3715162803139405 Energy: 1.3816796298167757 Energy: 1.424399467938289 Energy: 1.3599358507134738 Energy: 1.4060594584363024 Energy: 1.4243994679485676 Energy: 1.3599358507216965 Energy: 1.4060594584321908 Energy: 1.424399467946512 Energy: 1.3599358507196408 Energy: 1.4060594584280792 Energy: 1.4243994679424004 Energy: 1.378657746341296 Energy: 1.3801064100523088 Energy: 1.379645780680874 Energy: 1.3786577463454073 Energy: 1.3801064100440859 Energy: 1.3796457806870415 Energy: 1.3786577463515746 Energy: 1.3801064100461413 Energy: 1.3796457806788183 Energy: 1.3786577463454073 Energy: 1.3561823006048832 Energy: 1.3994652493809376 Energy: 1.4219477819552275 Energy: 1.3561823006110505 Energy: 1.3994605079379787 Energy: 1.421947781951116 Energy: 1.3561823006131062 Energy: 1.399465249387105 Energy: 1.4219477819531716 Energy: 1.3561823006069391 Energy: 1.472143556709935 Energy: 1.3998236421035446 Energy: 1.3499153230898215 Energy: 1.472143556711991 Energy: 1.3998236295278954 Energy: 1.3499153230795427 Energy: 1.4721435567140466 Energy: 1.3998236420953214 Energy: 1.3499153230815986 Energy: 1.472143556711991 Energy: 1.4031385375525731 Energy: 1.422272203859596 Energy: 1.3204705748968952 Energy: 1.4031385375505172 Energy: 1.422272203851373 Energy: 1.3204705748989511 Energy: 1.4031385375505172 Energy: 1.4222722038452058 Energy: 1.3204705749010066 Energy: 1.4031385375546286 Energy: 1.3800783638225438 Energy: 1.46365979686711 Energy: 1.3828911244322617 Energy: 1.3800783638266554 Energy: 1.463678903155231 Energy: 1.382891124438429 Energy: 1.380078363814321 Energy: 1.46365979686711 Energy: 1.382891124438429 Energy: 1.3800783638163767 Energy: 1.3015302283669996 Energy: 1.3999671199930581 Energy: 1.4066539681778198 Energy: 1.3015302283649437 Energy: 1.3996597910274933 Energy: 1.4066539681798758 Energy: 1.301530228369055 Energy: 1.399967120001281 Energy: 1.4066539681778198 Energy: 1.3015302283649437 Energy: 1.349457630654647 Energy: 1.3721719990726537 Energy: 1.4525710808103178 Energy: 1.3494576306608144 Energy: 1.372172483916704 Energy: 1.4525710808144292 Energy: 1.3494576306505355 Energy: 1.3721719990644308 Energy: 1.4525710808164851 Energy: 1.3494576306587587 minimum gb energy = 1.296949124680501 eV minimum distance = 2.29284560098828 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.3463774952684677 Energy: 1.3855846938552627 Energy: 1.3850734307583263 Energy: 1.282959864761129 Energy: 1.3855846938538512 Energy: 1.3850734307583263 Energy: 1.3463774952705851 Energy: 1.3855846938580858 Energy: 1.3850734307555035 Energy: 1.2829598647604235 Energy: 1.3519113492235049 Energy: 1.2985092400106468 Energy: 1.448121206741091 Energy: 1.3519113492235049 Energy: 1.2985092400085294 Energy: 1.4481212067439142 Energy: 1.3519113492242107 Energy: 1.2985092400120581 Energy: 1.4481212067460314 Energy: 1.3519113492277395 Energy: 1.368989417334979 Energy: 1.510178177716919 Energy: 1.313099069979712 Energy: 1.3689894173321557 Energy: 1.5101781777204477 Energy: 1.313185658085441 Energy: 1.368989417334979 Energy: 1.5101781777155074 Energy: 1.3130990699804177 Energy: 1.368989417334979 Energy: 1.3879615998216173 Energy: 1.382832085944569 Energy: 1.2972038227282725 Energy: 1.3879615998159711 Energy: 1.3828320859438632 Energy: 1.2972038227205092 Energy: 1.3879615998180883 Energy: 1.382832085941746 Energy: 1.2972038227205092 Energy: 1.387961599818794 Energy: 1.4320171186482695 Energy: 1.4309865275937688 Energy: 1.2606928553550985 Energy: 1.4320171138640083 Energy: 1.4309865275867113 Energy: 1.2606928553550985 Energy: 1.4320171234134753 Energy: 1.4309865275852998 Energy: 1.2606928553522756 Energy: 1.4320171160656834 Energy: 1.2981776975497057 Energy: 1.4297581401718922 Energy: 1.3856368330689686 Energy: 1.2981776975482944 Energy: 1.4297581401711863 Energy: 1.385636833068263 Energy: 1.298177697549 Energy: 1.4297581401754207 Energy: 1.3856368330640283 Energy: 1.2981776975461772 Energy: 1.3847158060887084 Energy: 1.416153983728559 Energy: 1.3857451223753199 Energy: 1.3847158348414954 Energy: 1.4161539837243244 Energy: 1.3857451223802604 Energy: 1.3847158196958373 Energy: 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1.3650984157825163 Energy: 1.4453863537091602 Energy: 1.4085492227301788 Energy: 1.3650984231846506 Energy: 1.4864371611522822 Energy: 1.3601851638587192 Energy: 1.3852683192188813 Energy: 1.2979629436380182 Energy: 1.385665928203901 Energy: 1.3852683192188813 Energy: 1.2979629436380182 Energy: 1.3856659282031951 Energy: 1.3852683192245272 Energy: 1.2979629436344895 Energy: 1.3856659281975492 Energy: 1.3852683192202928 Energy: 1.43039417859271 Energy: 1.3140208386849999 Energy: 1.4698427273638377 Energy: 1.430394178584241 Energy: 1.314020838684294 Energy: 1.4698427467258872 Energy: 1.4303941785941214 Energy: 1.314020838687117 Energy: 1.4698427282773956 Energy: 1.4303941785912986 Energy: 1.4465947993998474 Energy: 1.4154044897331939 Energy: 1.2992675232238675 Energy: 1.4465947993991417 Energy: 1.4154044897360167 Energy: 1.2992675232266904 Energy: 1.4465947994012591 Energy: 1.4154044897303708 Energy: 1.2992675232238675 Energy: 1.4465947993977302 Energy: 1.2829598647604235 Energy: 1.3855846938524399 Energy: 1.3850734307625607 Energy: 1.2829598647568947 Energy: 1.3855846938531458 Energy: 1.3850734307597377 Energy: 1.282959864761129 Energy: 1.3855846938559684 Energy: 1.3850734307625607 Energy: 1.2829598647576002 minimum gb energy = 1.2606928553522756 eV minimum distance = 2.29745869329576 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 1.4994654545607038 Energy: 1.2791198398157704 Energy: 1.279476600399911 Energy: 1.3803266905431695 Energy: 1.2791198398267232 Energy: 1.2794766003971725 Energy: 1.4994654545579655 Energy: 1.2791198398102936 Energy: 1.2794766003971725 Energy: 1.3803266905404312 Energy: 1.3099802670641207 Energy: 1.145899971436421 Energy: 1.297593280117826 Energy: 1.309980267066859 Energy: 1.1458999714418476 Energy: 1.297593280126041 Energy: 1.309980267066859 Energy: 1.1458999714336828 Energy: 1.297593280128779 Energy: 1.3099802670559062 Energy: 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1.2423538151476836 Energy: 1.2658533073505127 Energy: 1.2905734362046961 Energy: 1.2029366805743287 Energy: 1.2658533073368214 Energy: 1.2905734362101726 Energy: 1.2025879156888022 Energy: 1.2658533073477742 Energy: 1.2905734362101726 Energy: 1.2029366805715902 Energy: 1.265853307345036 Energy: 1.1939107978038312 Energy: 1.465946507444205 Energy: 1.1889995297872573 Energy: 1.1939107978038312 Energy: 1.4659465074414668 Energy: 1.1889995297763043 Energy: 1.1939107978065697 Energy: 1.4659465074414668 Energy: 1.188999529770828 Energy: 1.193910797798355 Energy: 1.2117315097926507 Energy: 1.1637174374476358 Energy: 1.1637997853489694 Energy: 1.2117315097899122 Energy: 1.1637174374448973 Energy: 1.1637997853599225 Energy: 1.2117315097899122 Energy: 1.163717437439421 Energy: 1.1637997853599225 Energy: 1.2117315097844856 Energy: 1.2025890444711331 Energy: 1.2572426936371954 Energy: 1.2440809752912867 Energy: 1.2025890444574918 Energy: 1.2572426936289807 Energy: 1.2440809752885487 Energy: 1.2025890444711331 Energy: 1.257242693642672 Energy: 1.244080975294025 Energy: 1.2025890444738714 Energy: 1.2924883385906445 Energy: 1.141436501539647 Energy: 1.235002363378798 Energy: 1.2924883385906445 Energy: 1.141436501539647 Energy: 1.23500236337606 Energy: 1.292488338607074 Energy: 1.1414365015369088 Energy: 1.2350023633733218 Energy: 1.2924883385988595 Energy: 1.289557818147177 Energy: 1.2822299573388845 Energy: 1.4199876884204743 Energy: 1.2895578181444387 Energy: 1.2822299573498375 Energy: 1.4592275302283968 Energy: 1.2895578181663445 Energy: 1.2822299573525755 Energy: 1.4199876884232128 Energy: 1.28955781815813 Energy: 1.1518009240251381 Energy: 1.3082598848160663 Energy: 1.229659062196774 Energy: 1.1518009240278764 Energy: 1.285515293877001 Energy: 1.254007763610609 Energy: 1.1518009240278764 Energy: 1.3082598848160663 Energy: 1.2296590622077272 Energy: 1.1518009240333527 Energy: 1.1433382425508298 Energy: 1.2180157750072331 Energy: 1.2180141773148554 Energy: 1.1433382425371386 Energy: 1.2180214073496167 Energy: 1.2179909306968164 Energy: 1.143338242542615 Energy: 1.2180157750127096 Energy: 1.2180141773148554 Energy: 1.143338242545353 Energy: 1.1518280919386896 Energy: 1.2073904163805396 Energy: 1.1636276879826546 Energy: 1.1518280919249984 Energy: 1.2071357633529354 Energy: 1.1636276879771779 Energy: 1.1518280919386896 Energy: 1.2073904163805396 Energy: 1.1636276880456342 Energy: 1.1518280919386896 Energy: 1.3172008835487368 Energy: 1.204416413564804 Energy: 1.241625344292651 Energy: 1.3172008835459985 Energy: 1.2046614270989848 Energy: 1.241625344281698 Energy: 1.317200883540522 Energy: 1.2044164135702804 Energy: 1.2416253442953893 Energy: 1.3172008835350457 Energy: 1.233578802376194 Energy: 1.228003983644901 Energy: 1.1968661193006667 Energy: 1.2335788023734557 Energy: 1.228003983653116 Energy: 1.1968661193116197 Energy: 1.233578802362503 Energy: 1.2280039836339482 Energy: 1.196866119314358 Energy: 1.233578802376194 minimum gb energy = 1.1344970032746031 eV minimum distance = 2.24818312122461 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.7586059322017189 Energy: 0.6329367600947963 Energy: 0.6325902846997405 Energy: 0.5025755224747159 Energy: 0.6329367600976921 Energy: 0.6325902846951901 Energy: 0.7586059322000641 Energy: 0.6329367600963918 Energy: 0.6325902847058869 Energy: 0.5025755224744205 Energy: 0.7245570298981245 Energy: 0.6213129851605684 Energy: 0.7987336283959157 Energy: 0.6291119444066402 Energy: 0.6213129851719746 Energy: 0.6898798687855021 Energy: 0.7245570299000748 Energy: 0.6213129851683696 Energy: 0.7987336283926653 Energy: 0.6291119444131412 Energy: 0.6541344387557256 Energy: 0.6572847540235237 Energy: 0.5943613582292676 Energy: 0.5580214680277713 Energy: 0.6572847540215735 Energy: 0.6755542780854251 Energy: 0.6541344387628767 Energy: 0.6572847540228737 Energy: 0.5943613582383688 Energy: 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0.6225011324642277 Energy: 0.6076984748362574 Energy: 0.7345607499125737 Energy: 0.6225011324557764 Energy: 0.6076984748388577 minimum gb energy = 0.5020106606751935 eV minimum distance = 2.34698043327715 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.130826910201271 Energy: 1.1391023687535935 Energy: 1.1382446859131452 Energy: 1.0762222262351846 Energy: 1.1391023687482402 Energy: 1.1382446859077917 Energy: 1.1308269102048074 Energy: 1.1391023687446715 Energy: 1.1382446859006543 Energy: 1.0762222262369692 Energy: 1.1385377577769702 Energy: 1.0875790778245524 Energy: 1.1319138441225407 Energy: 1.1385377577662963 Energy: 1.0875790778334746 Energy: 1.131913844124325 Energy: 1.1385377577645117 Energy: 1.087579077829906 Energy: 1.131913844118972 Energy: 1.1385377577662963 Energy: 1.1343047065887228 Energy: 1.0832731998187863 Energy: 1.1443559955052371 Energy: 1.1343047065940761 Energy: 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1.1438221463630802 Energy: 1.1409377002354884 Energy: 1.1426988295135647 Energy: 1.1043339848814349 Energy: 1.1409377002337038 Energy: 1.1426988295153488 Energy: 1.1043339848778666 Energy: 1.1409377002283507 Energy: 1.1426988294993219 Energy: 1.1043339848903573 Energy: 1.1409377002229977 Energy: 1.0905356087890778 Energy: 1.0666898475905071 Energy: 1.1759624428693651 Energy: 1.090535608798 Energy: 1.066689847597645 Energy: 1.1759624428782869 Energy: 1.0905356087962155 Energy: 1.066689847602998 Energy: 1.1759624428747184 Energy: 1.0905356087926468 minimum gb energy = 1.0311597193876003 eV minimum distance = 2.23805605587742 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.3196201574574686 Energy: 1.468523355194001 Energy: 1.4686501267315457 Energy: 1.3196201574598303 Energy: 1.468523355194001 Energy: 1.468650126728003 Energy: 1.3196201574586495 Energy: 1.4685233551951817 Energy: 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1.5528878631158674 Energy: 1.563279014992061 Energy: 1.5683622053671809 Energy: 1.5528878631092937 Energy: 1.5632790149767752 Energy: 1.529193379318785 Energy: 1.6673124498733582 Energy: 1.5895577094265452 Energy: 1.5291933793034997 Energy: 1.6673124498733582 Energy: 1.5895577094244067 Energy: 1.5291933793252792 Energy: 1.667312449886426 Energy: 1.589557709430901 Energy: 1.529193379327497 Energy: 1.6157345611624756 Energy: 1.5363199749797722 Energy: 1.5393123242030804 Energy: 1.6157345611776819 Energy: 1.5363199749710599 Energy: 1.539312324205298 Energy: 1.6157345611711873 Energy: 1.5363199749667042 Energy: 1.5393123242030804 Energy: 1.6157345611429133 minimum gb energy = 1.5069366659695147 eV minimum distance = 2.22050051021873 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.5352796392140076 Energy: 1.5541938391417967 Energy: 1.5542590070164894 Energy: 1.5352796392140076 Energy: 1.5541938391391776 Energy: 1.5542590070164894 Energy: 1.5352796392140076 Energy: 1.5541938391391776 Energy: 1.554259007013822 Energy: 1.5352796392140076 Energy: 1.5921425740269348 Energy: 1.491890524430246 Energy: 1.5705642675322007 Energy: 1.5921425740349373 Energy: 1.4918905244275784 Energy: 1.570564267534868 Energy: 1.5921425740322699 Energy: 1.4918905244275784 Energy: 1.5705642675375358 Energy: 1.5921425740376047 Energy: 1.523704708224427 Energy: 1.4929479381249124 Energy: 1.523885513853868 Energy: 1.523704708224427 Energy: 1.4929479381249124 Energy: 1.523885513853868 Energy: 1.523704708224427 Energy: 1.4929479381249124 Energy: 1.523885513853868 Energy: 1.5237047082270945 Energy: 1.5943605016993145 Energy: 1.4937581024078213 Energy: 1.6659251825097148 Energy: 1.5943605016993145 Energy: 1.4937581024078213 Energy: 1.6659251825097148 Energy: 1.5943605016966471 Energy: 1.4937581024078213 Energy: 1.6659251825097148 Energy: 1.5943605016993145 Energy: 1.7039540910665432 Energy: 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1.5676249441810053 Energy: 1.4945363653515702 Energy: 1.4949257237980407 Energy: 1.493019405077295 Energy: 1.6030684170720049 Energy: 1.637640281826289 Energy: 1.493019405077295 Energy: 1.6030684170720049 Energy: 1.637640281826289 Energy: 1.4930194050746273 Energy: 1.6030684170720049 Energy: 1.637640281826289 Energy: 1.4930194050746273 Energy: 1.703876598853707 Energy: 1.5423821507012987 Energy: 1.492268402320677 Energy: 1.7038765988563744 Energy: 1.5423821507039661 Energy: 1.4922684023180095 Energy: 1.7038765988563744 Energy: 1.5423821507039661 Energy: 1.4922684023153423 Energy: 1.703876598853707 Energy: 1.5940479064033444 Energy: 1.665765568229154 Energy: 1.4937033722632496 Energy: 1.5940479064033444 Energy: 1.6657655682264867 Energy: 1.4937033722632496 Energy: 1.5940479064060118 Energy: 1.665765568229154 Energy: 1.4937033722632496 Energy: 1.5940479064140143 Energy: 1.523681965614804 Energy: 1.52379053532586 Energy: 1.492914570254366 Energy: 1.523681965614804 Energy: 1.52379053532586 Energy: 1.4929145702570337 Energy: 1.523681965614804 Energy: 1.5237905353285273 Energy: 1.4929145702570337 Energy: 1.523681965614804 Energy: 1.5923219788996634 Energy: 1.5701260287623733 Energy: 1.4920731986142441 Energy: 1.5923219788996634 Energy: 1.5701260287570384 Energy: 1.4920731986142441 Energy: 1.592321978896996 Energy: 1.5701260287623733 Energy: 1.4920731986142441 Energy: 1.5923219788996634 Energy: 1.535279639216675 Energy: 1.5541938391417967 Energy: 1.554259007013822 Energy: 1.5352796392140076 Energy: 1.55419383913651 Energy: 1.5542590070164894 Energy: 1.5352796392140076 Energy: 1.5541938391391776 Energy: 1.5542590070164894 Energy: 1.5352796392140076 Energy: 1.5921425740162651 Energy: 1.4918905244275784 Energy: 1.570564267534868 Energy: 1.5921425740135975 Energy: 1.4918905244275784 Energy: 1.570564267534868 Energy: 1.5921425740162651 Energy: 1.491890524430246 Energy: 1.5705642675375358 Energy: 1.5921425740135975 Energy: 1.523704708224427 Energy: 1.4929479381249124 Energy: 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1.4930607379580754 Energy: 1.494985665702031 Energy: 1.4943698244740118 Energy: 1.5678860733990312 Energy: 1.494985665702031 Energy: 1.4943698244793469 Energy: 1.5678860733990312 Energy: 1.494985665702031 Energy: 1.4943698244740118 Energy: 1.5678860733990312 Energy: 1.494985665702031 Energy: 1.6571795687788144 Energy: 1.552464563099664 Energy: 1.5525648546420803 Energy: 1.6571795687761468 Energy: 1.552464563099664 Energy: 1.5525648546394129 Energy: 1.6571795687761468 Energy: 1.552464563099664 Energy: 1.5525648546420803 Energy: 1.6571795687761468 Energy: 1.4949257237953733 Energy: 1.5676249441810053 Energy: 1.4945363653489026 Energy: 1.4949257237953733 Energy: 1.5676249441836727 Energy: 1.4945363653515702 Energy: 1.4949257237953733 Energy: 1.5676249441836727 Energy: 1.4945363653489026 Energy: 1.4949257237980407 Energy: 1.493019405077295 Energy: 1.6030684170746723 Energy: 1.637640281826289 Energy: 1.4930194050746273 Energy: 1.6030684170720049 Energy: 1.637640281826289 Energy: 1.493019405077295 Energy: 1.6030684170720049 Energy: 1.637640281826289 Energy: 1.493019405077295 Energy: 1.7038765988563744 Energy: 1.5423821507039661 Energy: 1.4922684023153423 Energy: 1.7038765988563744 Energy: 1.5423821507012987 Energy: 1.492268402320677 Energy: 1.7038765988563744 Energy: 1.5423821507039661 Energy: 1.492268402320677 Energy: 1.7038765988563744 Energy: 1.594047906400677 Energy: 1.665765568223819 Energy: 1.4937033722632496 Energy: 1.5940479063980093 Energy: 1.665765568229154 Energy: 1.4937033722632496 Energy: 1.5940479064033444 Energy: 1.6657655682264867 Energy: 1.4937033722632496 Energy: 1.5940479064033444 minimum gb energy = 1.4918905244275784 eV minimum distance = 2.22366417285485 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.508914133534834 Energy: 1.510625872973662 Energy: 1.510323059258557 Energy: 1.5089141335338696 Energy: 1.5106258729755901 Energy: 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Energy: 1.487764089702213 Energy: 1.4852123752566861 Energy: 1.4851463330529011 Energy: 1.4877640897065838 Energy: 1.6529200962228496 Energy: 1.4830959971391267 Energy: 1.4834615820605834 Energy: 1.6529200962228496 Energy: 1.4830959971391267 Energy: 1.483461582058398 Energy: 1.6529200962228496 Energy: 1.483095997141312 Energy: 1.4834615820605834 Energy: 1.6529200962228496 Energy: 1.4515198787474533 Energy: 1.4450731949725657 Energy: 1.5912636745900983 Energy: 1.4515198787496386 Energy: 1.4450731949769366 Energy: 1.5912636745944693 Energy: 1.4515198787452679 Energy: 1.445073194974751 Energy: 1.5912636745900983 Energy: 1.4515198787474533 Energy: 1.4644672532004772 Energy: 1.6189287975989413 Energy: 1.4645454945615561 Energy: 1.4644672532004772 Energy: 1.6189287976033118 Energy: 1.4645454945593706 Energy: 1.4644672532004772 Energy: 1.6189287976054976 Energy: 1.4645454945571852 Energy: 1.464467253204848 Energy: 1.494740414335403 Energy: 1.4434951609772115 Energy: 1.5423257358269513 Energy: 1.4947404143375884 Energy: 1.4434951609772115 Energy: 1.5423257358247657 Energy: 1.4947404143375884 Energy: 1.443495160975026 Energy: 1.5423257358225804 Energy: 1.4947404143375884 Energy: 1.484258814073645 Energy: 1.459967090968063 Energy: 1.6514084899538983 Energy: 1.4842588140802013 Energy: 1.459967090968063 Energy: 1.6514084899538983 Energy: 1.484258814067089 Energy: 1.459967090968063 Energy: 1.651408489951713 Energy: 1.484258814067089 Energy: 1.4567867859597898 Energy: 1.5273500757103453 Energy: 1.4589584216958054 Energy: 1.4567867859838295 Energy: 1.5273500757103453 Energy: 1.458958421697991 Energy: 1.4567867861476573 Energy: 1.5273500757081602 Energy: 1.4589584216958054 Energy: 1.4567867859772732 Energy: 1.4438162103344399 Energy: 1.520796159889715 Energy: 1.452226750525846 Energy: 1.4438162103344399 Energy: 1.5207961598919006 Energy: 1.4522267505280313 Energy: 1.4438162103322543 Energy: 1.520796159889715 Energy: 1.4522267505236606 Energy: 1.4438162103322543 Energy: 1.4761738813747087 Energy: 1.6357473294525093 Energy: 1.4947339313140118 Energy: 1.4761738813703382 Energy: 1.6357473294546947 Energy: 1.494733931320568 Energy: 1.4761738813747087 Energy: 1.6357473294525093 Energy: 1.494733931320568 Energy: 1.4761738813725236 minimum gb energy = 1.4401534697887464 eV minimum distance = 2.23346058129911 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.3911372688478507 Energy: 1.391117248122433 Energy: 1.391243467080362 Energy: 1.3911372688478507 Energy: 1.3911172481168599 Energy: 1.3912434670851392 Energy: 1.3911372688478507 Energy: 1.3911172481208405 Energy: 1.3912434670787697 Energy: 1.3911372688462582 Energy: 1.4956593136615122 Energy: 1.362229781576556 Energy: 1.3796485777906566 Energy: 1.4956593136798246 Energy: 1.36222978157576 Energy: 1.379648577787472 Energy: 1.4956593136408114 Energy: 1.3622297815797408 Energy: 1.379648577791453 Energy: 1.4956593136408114 Energy: 1.5297915156196986 Energy: 1.3500799976396267 Energy: 1.5029121742251577 Energy: 1.5297915156236794 Energy: 1.3500799976364422 Energy: 1.502933515191384 Energy: 1.5297915156236794 Energy: 1.3500799976372384 Energy: 1.50290832468268 Energy: 1.5297915156244757 Energy: 1.5117590316489529 Energy: 1.5312060676956245 Energy: 1.4249429578793926 Energy: 1.511759031654526 Energy: 1.5312060676892552 Energy: 1.4249429578833737 Energy: 1.511759031649749 Energy: 1.5312060676980133 Energy: 1.4249429578881507 Energy: 1.5117590316521377 Energy: 1.4264966360096276 Energy: 1.3766783627864037 Energy: 1.5148507246581415 Energy: 1.42649663601122 Energy: 1.3766783627840153 Energy: 1.514850724654233 Energy: 1.4264966360104239 Energy: 1.3766783627872001 Energy: 1.5148507246573457 Energy: 1.426496636012016 Energy: 1.4269427063162752 Energy: 1.5837241866829712 Energy: 1.3621797749557893 Energy: 1.4269427063146827 Energy: 1.5837241866861562 Energy: 1.3621797749526046 Energy: 1.4269427063162752 Energy: 1.583724186682175 Energy: 1.3621797749534006 Energy: 1.4269427063154791 Energy: 1.4374693737056121 Energy: 1.397354927488339 Energy: 1.3500954517815738 Energy: 1.5194553653287421 Energy: 1.3973549274907275 Energy: 1.3500954517791854 Energy: 1.5194553653303344 Energy: 1.397354927488339 Energy: 1.3500954517823702 Energy: 1.5694701390934098 Energy: 1.4061550218709598 Energy: 1.6157738919820925 Energy: 1.3714858966108359 Energy: 1.4061550218669785 Energy: 1.615773891976519 Energy: 1.3714858966084476 Energy: 1.4061550218693675 Energy: 1.6157738919820925 Energy: 1.3714858966068553 Energy: 1.4061550218653864 Energy: 1.675836191289938 Energy: 1.3772743777702283 Energy: 1.3762921790482663 Energy: 1.675836191289142 Energy: 1.377274377768636 Energy: 1.3762921790450813 Energy: 1.6758361912923267 Energy: 1.3772743777694323 Energy: 1.3762921790490625 Energy: 1.6758361912907345 Energy: 1.5141045763026333 Energy: 1.4301809832616124 Energy: 1.5345704736112866 Energy: 1.5141045763082066 Energy: 1.4301809832632049 Energy: 1.5345704722272906 Energy: 1.5141045763010408 Energy: 1.4301809832624088 Energy: 1.534570453245823 Energy: 1.5141045763082066 Energy: 1.4967962227737894 Energy: 1.4972159570106718 Energy: 1.4087136339271091 Energy: 1.4967962227753815 Energy: 1.4972159570154489 Energy: 1.4087136339255166 Energy: 1.496796222772197 Energy: 1.4972159570090793 Energy: 1.4087136339279052 Energy: 1.4967962227737894 Energy: 1.4294214153282714 Energy: 1.366896676174028 Energy: 1.3886786630688854 Energy: 1.4294214153298639 Energy: 1.3668966761788053 Energy: 1.3886786630680892 Energy: 1.4294214153282714 Energy: 1.3668966761748245 Energy: 1.3886786630696817 Energy: 1.4294214153322524 Energy: 1.3768114344329139 Energy: 1.4473738702085226 Energy: 1.3767440099977162 Energy: 1.3768114344360984 Energy: 1.4473738702013568 Energy: 1.3767440099929389 Energy: 1.3768114344329139 Energy: 1.4473738702077261 Energy: 1.3767440099977162 Energy: 1.3768114344360984 Energy: 1.385795617240195 Energy: 1.3858873324849497 Energy: 1.3760439767607586 Energy: 1.3857956172346217 Energy: 1.3858873324825614 Energy: 1.3760439767599626 Energy: 1.3857956172393988 Energy: 1.3858873324849497 Energy: 1.376043976761555 Energy: 1.3857956172330292 minimum gb energy = 1.3500799976364422 eV minimum distance = 2.23844086389257 Angstroms sigma value = 33