Model name: model_name=EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.045270472764969 cohesive_energy=3.4109252230537166 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.012891568897264442 Energy: 0.24153503387278505 Energy: 0.40763298821357663 Energy: 0.24151142212387497 Energy: 0.012891568895878483 Energy: 0.24153503387237607 Energy: 0.40763298821298594 Energy: 0.29563378257098294 Energy: 0.013736134307636483 Energy: 0.11331592277470919 Energy: 0.013655471276054675 Energy: 0.2956337825718009 Energy: 0.013736134307840969 Energy: 0.11331592277511816 Energy: 0.012891568897264442 Energy: 0.24153503387358027 Energy: 0.40763298821357663 Energy: 0.24151142212546542 Energy: 0.012891568895878483 Energy: 0.24153503387219427 Energy: 0.4076329882133721 Energy: 0.2956337825711874 Energy: 0.013736134307636483 Energy: 0.11331592277452743 Energy: 0.013655471276054675 Energy: 0.2956337825718009 Energy: 0.013736134307227511 Energy: 0.11331592277470919 Energy: 0.01289156889646922 Energy: 0.24153503387337577 Energy: 0.4076329882133721 Energy: 0.24151142212507917 Energy: 0.012891568895265026 Energy: 0.24153503387219427 Energy: 0.4076329882131677 Energy: 0.2956337825711874 Energy: 0.013736134308022735 Energy: 0.11331592277470919 Energy: 0.013655471276054675 Energy: 0.2956337825715964 Energy: 0.013736134307431997 Energy: 0.11331592277491369 minimum gb energy = 0.012891568895265026 eV minimum distance = 2.8341172463289 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.6108932142973802 Energy: 0.6376728596737692 Energy: 0.6775968637710549 Energy: 0.6379168551581375 Energy: 0.610893214292495 Energy: 0.6376728597250211 Energy: 0.6775968637832682 Energy: 0.5650430731389957 Energy: 0.5940594759060523 Energy: 0.6171967262856362 Energy: 0.5824861267339748 Energy: 0.5650430731463238 Energy: 0.5940594758840683 Energy: 0.6171967263027348 Energy: 0.5663581211614931 Energy: 0.5707685568609535 Energy: 0.6782780451011962 Energy: 0.5726345489516278 Energy: 0.5663581211590505 Energy: 0.5707685568511828 Energy: 0.678278045093868 Energy: 0.6093744467311826 Energy: 0.5898079324905934 Energy: 0.6369435251737467 Energy: 0.5826680196531137 Energy: 0.6093744467068003 Energy: 0.5898079324686092 Energy: 0.6369435251688614 Energy: 0.5671643427400378 Energy: 0.5597383703121265 Energy: 0.6473200438020934 Energy: 0.5935945909125808 Energy: 0.5671643427254262 Energy: 0.5597383703145691 Energy: 0.6473200438020934 Energy: 0.5907582736896716 Energy: 0.6014657943270826 Energy: 0.6054636665914866 Energy: 0.5940461449536205 Energy: 0.5907582737091686 Energy: 0.6014657943295252 Energy: 0.6054636666012574 Energy: 0.5691108117486943 Energy: 0.5962343373316314 Energy: 0.6776853980473245 Energy: 0.5936862560920582 Energy: 0.5691108117682357 Energy: 0.5962343373340743 Energy: 0.6776853980522098 Energy: 0.5680828713465023 Energy: 0.5791156395694903 Energy: 0.6668491928951243 Energy: 0.5934206191514004 Energy: 0.5680828713586713 Energy: 0.5791156395719329 Energy: 0.6668491928853538 Energy: 0.5573462450536824 Energy: 0.5822560815098399 Energy: 0.6006156081712811 Energy: 0.5758191490599004 Energy: 0.5573462450634531 Energy: 0.5822560815293812 Energy: 0.6006156081663957 Energy: 0.5677402814011179 Energy: 0.6032062420636986 Energy: 0.6661428272835236 Energy: 0.5765422410731276 Energy: 0.5677402813718058 Energy: 0.6032062420563705 Energy: 0.6661428272713547 Energy: 0.5668919493375381 Energy: 0.5714265474445509 Energy: 0.6061295902432682 Energy: 0.5941858036254611 Energy: 0.5668919493424234 Energy: 0.571426547451879 Energy: 0.6061295902334976 Energy: 0.5850337341898622 Energy: 0.613517734554687 Energy: 0.6559478704697819 Energy: 0.5704521675213566 Energy: 0.5850337341776488 Energy: 0.6135177345595724 Energy: 0.6559478704697819 Energy: 0.641413070285148 Energy: 0.5971726680543774 Energy: 0.6564855372883991 Energy: 0.5853275339685419 Energy: 0.641413070265651 Energy: 0.5971726680519347 Energy: 0.6564855372810711 Energy: 0.5663747167796258 Energy: 0.5905593367915171 Energy: 0.6466902794219088 Energy: 0.5723432553356633 Energy: 0.5663747167576417 Energy: 0.5905593367964025 Energy: 0.6466902794219088 Energy: 0.5741271930718024 Energy: 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0.5914577755897957 Energy: 0.575537621681482 Energy: 0.6227167163713809 Energy: 0.5891730621967024 Energy: 0.5731529503777485 Energy: 0.6466586671198239 Energy: 0.5749197734573946 Energy: 0.589173062177161 Energy: 0.5731529503704205 Energy: 0.6466586671247092 Energy: 0.6392568057553256 Energy: 0.5828587825303352 Energy: 0.6449437986559039 Energy: 0.5966145771649701 Energy: 0.6392568057626536 Energy: 0.5828587825230073 Energy: 0.6449437986754455 Energy: 0.5907748157978151 Energy: 0.5701834510460969 Energy: 0.6583498388271303 Energy: 0.598759776399026 Energy: 0.5907748157929297 Energy: 0.5701834510485396 Energy: 0.6583498388173596 Energy: 0.5575543906205493 Energy: 0.5756128192954965 Energy: 0.6571371211210909 Energy: 0.580690373903673 Energy: 0.5575543906303201 Energy: 0.575612819290611 Energy: 0.6571371211088775 Energy: 0.5679593798682405 Energy: 0.5975253524192015 Energy: 0.6673714242369768 Energy: 0.6041070686487976 Energy: 0.567959379873126 Energy: 0.5975253524167587 Energy: 0.6673714242369768 Energy: 0.5605213622935301 Energy: 0.5957883166200707 Energy: 0.5951984764451715 Energy: 0.5699552690985596 Energy: 0.5605213622984154 Energy: 0.5957883166298413 Energy: 0.5951984764427287 minimum gb energy = 0.5573462450536824 eV minimum distance = 2.46514557809155 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.5863384830123552 Energy: 0.5836243619465592 Energy: 0.6745434361506285 Energy: 0.5767173793874402 Energy: 0.5863384830240006 Energy: 0.5836243619384933 Energy: 0.6745434361545104 Energy: 0.5652600986885857 Energy: 0.5696321731543796 Energy: 0.6814412675950957 Energy: 0.5754532315601801 Energy: 0.5652600986860652 Energy: 0.5696321731413228 Energy: 0.6814412675781572 Energy: 0.5624708585099393 Energy: 0.5722906887963053 Energy: 0.6580547321459289 Energy: 0.5703103001018442 Energy: 0.5624708585088303 Energy: 0.5722906887954987 Energy: 0.6580547321459289 Energy: 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0.5710962554802698 Energy: 0.6012358827537411 Energy: 0.5812250593816668 Energy: 0.5869834284590953 Energy: 0.6478974590468096 Energy: 0.5696325419233691 Energy: 0.5812250593697695 Energy: 0.5869834284563227 Energy: 0.6478974590468096 Energy: 0.5724140284003502 Energy: 0.5915908476818066 Energy: 0.620216409788482 Energy: 0.5690709315166165 Energy: 0.5724140284006527 Energy: 0.591590847680143 Energy: 0.6202164097871209 Energy: 0.5622439270335206 Energy: 0.5708800523347141 Energy: 0.6101274923300464 Energy: 0.5741102424810293 Energy: 0.5622439270324116 Energy: 0.5708800523443933 Energy: 0.6101274923236438 Energy: 0.5694186132656496 Energy: 0.5701331743102713 Energy: 0.607991453209114 Energy: 0.5707431192026905 Energy: 0.5694186132681701 Energy: 0.5701331743097168 Energy: 0.6079914532068957 Energy: 0.5684510301516031 Energy: 0.5836243619515502 Energy: 0.6337638329981127 Energy: 0.5767173793891037 Energy: 0.5684510301413189 Energy: 0.5836243619410137 Energy: 0.6337638330045151 Energy: 0.5652600986893924 Energy: 0.5696321731579589 Energy: 0.6590013106731445 Energy: 0.5753084049276767 Energy: 0.5652600986888378 Energy: 0.5696321731471706 Energy: 0.659001310671733 minimum gb energy = 0.5606602991901202 eV minimum distance = 2.48109836316484 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.6213850003944067 Energy: 0.5896421455648254 Energy: 0.6823685125578591 Energy: 0.5777590435426686 Energy: 0.6213850003908847 Energy: 0.5896421455689875 Energy: 0.6823685125578591 Energy: 0.5978333097544833 Energy: 0.5805580340480053 Energy: 0.6286654279373995 Energy: 0.5803818937194367 Energy: 0.597833309750001 Energy: 0.5805580340438432 Energy: 0.6286654279329172 Energy: 0.5971137817560792 Energy: 0.5889056168699799 Energy: 0.636680330176723 Energy: 0.5833443678221661 Energy: 0.5971137817570398 Energy: 0.5889056168693397 Energy: 0.6366803301792843 Energy: 0.5976945711078753 Energy: 0.5805358694717299 Energy: 0.6660131404421927 Energy: 0.5873074053917254 Energy: 0.5976945711069147 Energy: 0.5805358694691686 Energy: 0.6660131404425128 Energy: 0.609717499392427 Energy: 0.5776955020102087 Energy: 0.6592291260217057 Energy: 0.6050843059738733 Energy: 0.609717499388585 Energy: 0.5776955020060466 Energy: 0.6592291260236265 Energy: 0.5918666866253345 Energy: 0.5820842224272273 Energy: 0.635053592299079 Energy: 0.585360424516112 Energy: 0.5918666866275756 Energy: 0.582084222426907 Energy: 0.6350535922993993 Energy: 0.5852438178725433 Energy: 0.6143792147184541 Energy: 0.6574903071985021 Energy: 0.5980339375366782 Energy: 0.5852438178757451 Energy: 0.6143792147187743 Energy: 0.6574903071975415 Energy: 0.590334793104394 Energy: 0.5759376954273585 Energy: 0.6952587317849628 Energy: 0.6111572833422855 Energy: 0.5903347931040737 Energy: 0.5759376954302401 Energy: 0.6952587317865635 Energy: 0.5935281822813049 Energy: 0.5745855613507159 Energy: 0.6681101341905195 Energy: 0.5980634392063454 Energy: 0.5935281822838663 Energy: 0.5745855613471942 Energy: 0.6681101341905195 Energy: 0.593403828242565 Energy: 0.601757727109674 Energy: 0.6325435025792148 Energy: 0.5737933957181968 Energy: 0.593403828236482 Energy: 0.6017577271106346 Energy: 0.6325435025785743 Energy: 0.6195176392478721 Energy: 0.5788844465373248 Energy: 0.6685628042695667 Energy: 0.5813348159810597 Energy: 0.6195176392513939 Energy: 0.5788844465366845 Energy: 0.6685628042702071 Energy: 0.5986723075010993 Energy: 0.6137310605999008 Energy: 0.6485222903003289 Energy: 0.6082404780036919 Energy: 0.5986723075010993 Energy: 0.6137310605973395 Energy: 0.648522290300649 Energy: 0.5802753648783616 Energy: 0.5787169733498242 Energy: 0.6397996285702252 Energy: 0.5799484099972189 Energy: 0.580275364879002 Energy: 0.5787169733562274 Energy: 0.639799628575668 Energy: 0.580829452799969 Energy: 0.5918508823184513 Energy: 0.6569585971317756 Energy: 0.5949063041966365 Energy: 0.5808294527974077 Energy: 0.5918508823162101 Energy: 0.6569585971279336 Energy: 0.6019671409655668 Energy: 0.5779934507928196 Energy: 0.6570230833287661 Energy: 0.5853858723116021 Energy: 0.6019671409639661 Energy: 0.5779934507941001 Energy: 0.6570230833300469 Energy: 0.6155273523336021 Energy: 0.5873510144626657 Energy: 0.6365239816172259 Energy: 0.6023310575229551 Energy: 0.615527352337444 Energy: 0.5873510144591438 Energy: 0.6365239816185065 Energy: 0.5962471292545974 Energy: 0.5824249729276584 Energy: 0.6297358341186359 Energy: 0.582241235995937 Energy: 0.5962471292581191 Energy: 0.5824249729260574 Energy: 0.6297358341176754 Energy: 0.5883618671895073 Energy: 0.6168018628203801 Energy: 0.6892359990313526 Energy: 0.5980205516947426 Energy: 0.5883618671904679 Energy: 0.6168018628219809 Energy: 0.6892359990313526 Energy: 0.5950085224429459 Energy: 0.6038828514690058 Energy: 0.677893658748299 Energy: 0.6193215563831861 Energy: 0.5950085224467879 Energy: 0.6038828514747688 Energy: 0.6778936587460579 Energy: 0.6052242428570013 Energy: 0.589930540956184 Energy: 0.6354278252552107 Energy: 0.6030566533902982 Energy: 0.6052242428576418 Energy: 0.5899305409587454 Energy: 0.635427825252009 Energy: 0.5954891685726031 Energy: 0.616244498734 Energy: 0.6386177888575031 Energy: 0.5821324945464142 Energy: 0.5954891685687613 Energy: 0.6162444987330395 Energy: 0.6386177888549418 Energy: 0.5951708395228017 Energy: 0.5783719311599022 Energy: 0.6640774719337581 Energy: 0.5818765638772624 Energy: 0.5951708395250428 Energy: 0.5783719311608627 Energy: 0.6640774719372801 Energy: 0.6115374443164125 Energy: 0.6059275737750542 Energy: 0.6508983371884464 Energy: 0.5781807317949413 Energy: 0.6115374443148117 Energy: 0.6059275737712123 Energy: 0.6508983371830036 Energy: 0.5939460439362301 Energy: 0.5805153202765103 Energy: 0.6538231920263387 Energy: 0.5878949689188553 Energy: 0.5939460439343089 Energy: 0.5805153202806724 Energy: 0.6538231920231371 Energy: 0.606231587223519 Energy: 0.5871133614948921 Energy: 0.6736537615568643 Energy: 0.5770475779154248 Energy: 0.6062315872231988 Energy: 0.5871133614955324 Energy: 0.6297937333949162 Energy: 0.6244990338687717 Energy: 0.5933248525839815 Energy: 0.6519998311597505 Energy: 0.5864387084526391 Energy: 0.6244990338655702 Energy: 0.5933248525833412 Energy: 0.6519998311539875 Energy: 0.6214177385926115 Energy: 0.5752087928729418 Energy: 0.6843071173853122 Energy: 0.5780044917790598 Energy: 0.6214177385897299 Energy: 0.5752087928764635 Energy: 0.684307117384672 Energy: 0.6077611533896587 Energy: 0.5823146785309271 Energy: 0.6285220179591717 Energy: 0.5793497752503347 Energy: 0.6077611533906191 Energy: 0.5823146785274053 Energy: 0.6285220179591717 Energy: 0.5839121609148666 Energy: 0.5939432429026892 Energy: 0.6471364485849351 Energy: 0.5934489381907166 Energy: 0.5839121609196691 Energy: 0.5939432429026892 Energy: 0.6471364485823737 Energy: 0.5878704467155251 Energy: 0.5873671738785201 Energy: 0.6790470193748508 Energy: 0.5826490705621553 Energy: 0.5878704467174461 Energy: 0.5873671738749984 Energy: 0.6790470193748508 Energy: 0.5910128578277638 Energy: 0.5853002298096747 Energy: 0.6605267728230277 Energy: 0.6053007744767169 Energy: 0.5910128578290443 Energy: 0.5853002298119158 Energy: 0.6605267728239883 Energy: 0.5930509193014118 Energy: 0.582558801716047 Energy: 0.6362097200907894 Energy: 0.5745959883078479 Energy: 0.5930509193052537 Energy: 0.5825588017195688 Energy: 0.6362097200933506 Energy: 0.596536898534073 Energy: 0.6152639897578196 Energy: 0.6395827234751277 Energy: 0.5889723574569781 Energy: 0.596536898534073 Energy: 0.6152639897619817 Energy: 0.63958272347961 Energy: 0.5933280662413859 Energy: 0.6021398774289535 Energy: 0.6845909500490778 Energy: 0.5895945378441838 Energy: 0.593328066243598 Energy: 0.6021398774289535 Energy: 0.6845909500493979 Energy: 0.5895413372263067 Energy: 0.6014573082396772 Energy: 0.6672738491880789 Energy: 0.6012917429101463 Energy: 0.5895413372221445 Energy: 0.6014573082358353 Energy: 0.6672738491871184 Energy: 0.5934875081114396 Energy: 0.6048001146683127 Energy: 0.6387906714191445 Energy: 0.5914193047342293 Energy: 0.5934875081072775 Energy: 0.6048001146718346 Energy: 0.6387906714191445 minimum gb energy = 0.5737933957181968 eV minimum distance = 2.44780700708155 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.5650811052072896 Energy: 0.5844803272022367 Energy: 0.6302879563758306 Energy: 0.5844289788701251 Energy: 0.5650811052027553 Energy: 0.5844803272037481 Energy: 0.6302879563754527 Energy: 0.5586950463190493 Energy: 0.612042659559061 Energy: 0.6205301712670183 Energy: 0.6101915467559046 Energy: 0.5586950463205607 Energy: 0.6120426595507482 Energy: 0.6205301712734419 Energy: 0.5650196508761786 Energy: 0.5437493018114855 Energy: 0.5910264901444094 Energy: 0.5709324546339519 Energy: 0.5650196508693771 Energy: 0.543749301817909 Energy: 0.5910264901447873 Energy: 0.5729837611904879 Energy: 0.6121911099439358 Energy: 0.6202884784333209 Energy: 0.6139779004062181 Energy: 0.5729837611855758 Energy: 0.6121911099454472 Energy: 0.6202884784393665 Energy: 0.5947906495907554 Energy: 0.5764292194618311 Energy: 0.5524797964458813 Energy: 0.570772486755696 Energy: 0.5947906495926448 Energy: 0.5764292194618311 Energy: 0.5524797964466369 Energy: 0.5730896837904884 Energy: 0.6112702251720773 Energy: 0.6114822390788826 Energy: 0.6132508133045554 Energy: 0.5730896837961561 Energy: 0.6112702251803901 Energy: 0.6114822390826611 Energy: 0.6469415982600523 Energy: 0.5762755511103796 Energy: 0.6096053306207451 Energy: 0.5761109000999687 Energy: 0.646941598266098 Energy: 0.5762755511088683 Energy: 0.6096053306226344 Energy: 0.5871535465120294 Energy: 0.5776466459190609 Energy: 0.6310116112099298 Energy: 0.5779956810747123 Energy: 0.5871535465074954 Energy: 0.5776466459130495 Energy: 0.631011611209174 Energy: 0.6469285459477822 Energy: 0.5761048631132889 Energy: 0.6201556640416249 Energy: 0.5762874884231383 Energy: 0.6469285459424922 Energy: 0.5761048631144224 Energy: 0.6201556640446478 Energy: 0.5730947100694355 Energy: 0.6131632129076966 Energy: 0.6136229425006884 Energy: 0.6112671794833937 Energy: 0.5730947100784696 Energy: 0.6131632129171429 Energy: 0.6136229425010663 Energy: 0.593584542717219 Energy: 0.5707902557624821 Energy: 0.6219284374293762 Energy: 0.5764673818981113 Energy: 0.5935845427145741 Energy: 0.5707902557609706 Energy: 0.6185666482819816 Energy: 0.5729911169336285 Energy: 0.6139817392117514 Energy: 0.6202807846017585 Energy: 0.612118464416131 Energy: 0.5729911169298499 Energy: 0.6139817392106177 Energy: 0.6202807845934457 Energy: 0.5651084297163512 Energy: 0.570971445462634 Energy: 0.5931651490931515 Energy: 0.5438687045278482 Energy: 0.5651084297193741 Energy: 0.5709714454709468 Energy: 0.5931651490946629 Energy: 0.5587332819064157 Energy: 0.6102029421787053 Energy: 0.6203837860571932 Energy: 0.612019901913218 Energy: 0.5587332819060378 Energy: 0.6102029421601904 Energy: 0.6203837860632047 Energy: 0.5650811052072896 Energy: 0.5844803272029925 Energy: 0.6377599627334338 Energy: 0.584428978867858 Energy: 0.5650811052019996 Energy: 0.584480327204126 Energy: 0.6377599627360789 Energy: 0.5586950463205607 Energy: 0.6120426595564159 Energy: 0.6205301712666406 Energy: 0.610191546755149 Energy: 0.5586950463220721 Energy: 0.6120426595503703 Energy: 0.6205301712726862 Energy: 0.5650196508792014 Energy: 0.5437493018069514 Energy: 0.5924760717918993 Energy: 0.5709324546350855 Energy: 0.5650196508686214 Energy: 0.5437493018171534 Energy: 0.5924760717809415 Energy: 0.5729837611889765 Energy: 0.6121911099454472 Energy: 0.6202884784378553 Energy: 0.6139779004088632 Energy: 0.5729837611829308 Energy: 0.6121911099469586 Energy: 0.6202884784427672 Energy: 0.5947906495899998 Energy: 0.5764292194622088 Energy: 0.571759417865994 Energy: 0.5707724867549403 Energy: 0.5947906495952898 Energy: 0.5764292194637203 Energy: 0.5717594178561699 Energy: 0.573089683788977 Energy: 0.6112702251732108 Energy: 0.6114822390811496 Energy: 0.6132508133068226 Energy: 0.573089683796534 Energy: 0.6112702251819015 Energy: 0.6114822390871953 Energy: 0.6469415982596745 Energy: 0.5762755511111354 Energy: 0.5796759176561146 Energy: 0.5761109001022359 Energy: 0.6469415982664757 Energy: 0.5762755511118911 Energy: 0.5796759176478361 Energy: 0.5871535465120294 Energy: 0.5776466459198165 Energy: 0.631011611211029 Energy: 0.5779956810747123 Energy: 0.587153546508251 Energy: 0.5776466459145609 Energy: 0.6310116112099298 Energy: 0.6469285459489157 Energy: 0.5761048631113996 Energy: 0.5998288032222021 Energy: 0.5762874884204933 Energy: 0.6469285459440037 Energy: 0.5761048631144224 Energy: 0.599828803219935 Energy: 0.5730947100649012 Energy: 0.6131632129069409 Energy: 0.613622942501822 Energy: 0.6112671794830159 Energy: 0.5730947100746911 Energy: 0.6131632129144979 Energy: 0.6136229425006884 Energy: 0.5935845427179748 Energy: 0.570790255765127 Energy: 0.6279933631600835 Energy: 0.5764673818969778 Energy: 0.5935845427153297 Energy: 0.5707902557655049 Energy: 0.6279933631585721 Energy: 0.5729911169358957 Energy: 0.6139817392140184 Energy: 0.6202807846021363 Energy: 0.6121184644127304 Energy: 0.5729911169324948 Energy: 0.6139817392113736 Energy: 0.6202807845953349 Energy: 0.565108429717107 Energy: 0.5709714454641455 Energy: 0.6088143426886902 Energy: 0.5438687045270926 Energy: 0.5651084297212633 Energy: 0.5709714454717024 Energy: 0.608814342702293 Energy: 0.558733281903015 Energy: 0.6102029421805946 Energy: 0.6203837860571932 Energy: 0.6120199019109508 Energy: 0.558733281905282 Energy: 0.6102029421617018 Energy: 0.6203837860647161 Energy: 0.5650811052072896 Energy: 0.584480327204126 Energy: 0.6092174708456674 Energy: 0.5844289788697474 Energy: 0.5650811052023775 Energy: 0.5844803272060154 Energy: 0.6092174708422665 Energy: 0.5586950463190493 Energy: 0.6120426595586832 Energy: 0.6205301712666406 Energy: 0.6101915467559046 Energy: 0.558695046320183 Energy: 0.6120426595507482 Energy: 0.6205301712738198 minimum gb energy = 0.5437493018069514 eV minimum distance = 2.58718913065223 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.5930512699778399 Energy: 0.6040669440543762 Energy: 0.6638038666128339 Energy: 0.6041418048673015 Energy: 0.593051269970042 Energy: 0.604066944057587 Energy: 0.6638038666114577 Energy: 0.5826690210861251 Energy: 0.5679419725429748 Energy: 0.64222874936704 Energy: 0.5678734074928011 Energy: 0.5826690210870424 Energy: 0.567941972539764 Energy: 0.642228749363829 Energy: 0.5932852691876646 Energy: 0.5656753032350325 Energy: 0.6399381501293869 Energy: 0.5638581982002834 Energy: 0.5932852691853711 Energy: 0.5656753032318216 Energy: 0.6399381501298457 Energy: 0.6279366886974492 Energy: 0.5678733839422367 Energy: 0.6273292482921041 Energy: 0.5722627289087877 Energy: 0.6279366886947177 Energy: 0.5678733839390259 Energy: 0.6273292482911867 Energy: 0.5713208765440551 Energy: 0.6008718521455968 Energy: 0.570904438244697 Energy: 0.5934120901552383 Energy: 0.5713208765468073 Energy: 0.6008718521455968 Energy: 0.5709044382433209 Energy: 0.6280255754209118 Energy: 0.5812455763724435 Energy: 0.6016124532930458 Energy: 0.585882920024292 Energy: 0.6280255754186183 Energy: 0.5812455763765716 Energy: 0.6016124532893762 Energy: 0.5985852141293272 Energy: 0.6009314232805224 Energy: 0.5795960615530373 Energy: 0.5811005469077687 Energy: 0.5985852141297857 Energy: 0.6009314232805224 Energy: 0.5795960615530373 Energy: 0.5984299591069848 Energy: 0.5620417813477746 Energy: 0.562184020800056 Energy: 0.5860955438240198 Energy: 0.5984299591046913 Energy: 0.5620417813509854 Energy: 0.5621840208023496 Energy: 0.5985741820505069 Energy: 0.57832329270995 Energy: 0.6205589611083402 Energy: 0.5891254122437279 Energy: 0.5985741820541766 Energy: 0.5783232927108676 Energy: 0.6209248722157871 Energy: 0.59987213518959 Energy: 0.5773523852850997 Energy: 0.5915583539892663 Energy: 0.5801055487229748 Energy: 0.599872135197367 Energy: 0.5773523852814302 Energy: 0.5915583539860554 Energy: 0.6011022158173255 Energy: 0.5879191928245227 Energy: 0.6206317158293309 Energy: 0.5790090619294636 Energy: 0.6011022158237473 Energy: 0.5879191928240641 Energy: 0.62063171582612 Energy: 0.5463071992215851 Energy: 0.5815373136293399 Energy: 0.5866665634986736 Energy: 0.5934477420741944 Energy: 0.5463071992238787 Energy: 0.5815373136366582 Energy: 0.5866665635000498 Energy: 0.6013600597012736 Energy: 0.5840902777249265 Energy: 0.6024598285032622 Energy: 0.5679535781841605 Energy: 0.6013600597054017 Energy: 0.5840902777253852 Energy: 0.6024598285041797 Energy: 0.5460451624328968 Energy: 0.5821976827308519 Energy: 0.603832702396538 Energy: 0.5804455786917637 Energy: 0.5460451624319794 Energy: 0.5821976827326866 Energy: 0.6038327024029598 Energy: 0.6244957404107875 Energy: 0.5546428031697771 Energy: 0.6007387592448284 Energy: 0.5634055826621187 Energy: 0.6244957404094114 Energy: 0.5546428031684011 Energy: 0.5910936453872359 Energy: 0.5418719779456506 Energy: 0.6073876185325469 Energy: 0.6047669735557321 Energy: 0.6062912002029905 Energy: 0.5418719779442744 Energy: 0.6073876185385099 Energy: 0.6047669735548145 Energy: 0.6072854995973666 Energy: 0.5540781945463225 Energy: 0.6026321936480799 Energy: 0.5636955761091109 Energy: 0.6072854995946353 Energy: 0.5540781945486158 Energy: 0.6026321936444102 Energy: 0.5419232113909502 Energy: 0.5736882799852862 Energy: 0.5895572017426502 Energy: 0.6036957362050779 Energy: 0.5419232113923262 Energy: 0.5736882799806992 Energy: 0.5895572017444851 Energy: 0.5934539836342169 Energy: 0.5540087781124793 Energy: 0.6119261354121349 Energy: 0.5652879880343883 Energy: 0.5934539836305474 Energy: 0.554008778114314 Energy: 0.6119261354075688 Energy: 0.5416268245444285 Energy: 0.5931488021326073 Energy: 0.5827276076347433 Energy: 0.5931527867049589 Energy: 0.5416268245480981 Energy: 0.5931488021280205 Energy: 0.5827276076315323 Energy: 0.593443104873078 Energy: 0.5652017087861735 Energy: 0.6118454172384634 Energy: 0.5539377251907667 Energy: 0.5934431048744542 Energy: 0.56520170878388 Energy: 0.6118454172398395 Energy: 0.5419203405865161 Energy: 0.6040903470033538 Energy: 0.5897047217128105 Energy: 0.5735886617749605 Energy: 0.5419203405846813 Energy: 0.6040903470097757 Energy: 0.5897047217100584 Energy: 0.6072767531547697 Energy: 0.5635742309227549 Energy: 0.6026006269832557 Energy: 0.5539856161801069 Energy: 0.6072767531538523 Energy: 0.5635742309222963 Energy: 0.6026006269805035 Energy: 0.5418056770292418 Energy: 0.6062504583508406 Energy: 0.6045586734599521 Energy: 0.6074066401095527 Energy: 0.541805677027407 Energy: 0.6062504583448776 Energy: 0.6045586734503194 Energy: 0.624388012162344 Energy: 0.563478562564405 Energy: 0.6006888953136287 Energy: 0.5547770959210824 Energy: 0.6243880121554635 Energy: 0.5634785625671571 Energy: 0.6006888953150048 minimum gb energy = 0.5416268245444285 eV minimum distance = 2.54005889235558 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.6332951256229659 Energy: 0.631902497017987 Energy: 0.6439591967767757 Energy: 0.6311185156862328 Energy: 0.6332951256299011 Energy: 0.631902497020547 Energy: 0.6439591967731918 Energy: 0.6361345924415089 Energy: 0.6202971781195187 Energy: 0.6503986116402842 Energy: 0.6286602807179056 Energy: 0.6361345924328049 Energy: 0.6202971781248715 Energy: 0.6503986116472195 Energy: 0.6240890775108004 Energy: 0.6207038501665101 Energy: 0.6634619420366978 Energy: 0.6087415451335774 Energy: 0.6240890775143845 Energy: 0.6207038501572942 Energy: 0.663461942036977 Energy: 0.5999928348101246 Energy: 0.624652053218413 Energy: 0.67156710613833 Energy: 0.6098752407847705 Energy: 0.5999928348063078 Energy: 0.6246520532286528 Energy: 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0.6971335868539034 Energy: 0.5964990842157822 Energy: 0.6025045273713796 Energy: 0.6976614945651949 Energy: 0.6316895251248991 Energy: 0.5964990842231829 Energy: 0.6025045273726364 Energy: 0.697661494570082 Energy: 0.6219089137585185 Energy: 0.6083160302783738 Energy: 0.6620672014046466 Energy: 0.637238525483377 Energy: 0.6219089137733664 Energy: 0.6083160302829815 Energy: 0.6620672014069272 Energy: 0.6055557641721929 Energy: 0.6029208101250867 Energy: 0.6986074091772909 Energy: 0.6072509981931367 Energy: 0.605555764178337 Energy: 0.6029208101245748 Energy: 0.6986074091829227 Energy: 0.5990745024511801 Energy: 0.6096068519968102 Energy: 0.6540135427011845 Energy: 0.6232419544263159 Energy: 0.5990745024552296 Energy: 0.6096068519952741 Energy: 0.6540135427009518 minimum gb energy = 0.5795278721729976 eV minimum distance = 2.44778241322428 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.5494068640239017 Energy: 0.5498531482480873 Energy: 0.7024976210530125 Energy: 0.5498531482434699 Energy: 0.54940686402217 Energy: 0.5498531482440471 Energy: 0.7024976210530125 Energy: 0.54940686402217 Energy: 0.5498531482475101 Energy: 0.7078229151610913 Energy: 0.549853148246933 Energy: 0.5494068640198614 Energy: 0.5498531482446243 Energy: 0.7078229151651316 Energy: 0.54940686402217 Energy: 0.5498531482440471 Energy: 0.7078229151657088 Energy: 0.5498531482452015 Energy: 0.5494068640198614 Energy: 0.5498531482480873 Energy: 0.702497621054744 Energy: 0.5494068640227472 Energy: 0.5498531482480873 Energy: 0.7078229151610913 Energy: 0.5498531482452015 Energy: 0.5494068640227472 Energy: 0.5498531482446243 Energy: 0.7078229151610913 Energy: 0.54940686402217 Energy: 0.5498531482475101 Energy: 0.7024976210553212 Energy: 0.5498531482457786 Energy: 0.5494068640198614 Energy: 0.5498531482457786 Energy: 0.7024976210564755 Energy: 0.5494068640215929 Energy: 0.5498531482440471 Energy: 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0.5494068640198614 Energy: 0.5498531482457786 Energy: 0.7078229151651316 Energy: 0.5494068640215929 Energy: 0.5498531482440471 Energy: 0.7078229151662859 Energy: 0.5498531482446243 Energy: 0.5494068640198614 Energy: 0.5498531482457786 Energy: 0.7024976210570527 Energy: 0.54940686402217 Energy: 0.5498531482475101 Energy: 0.7024976210524354 Energy: 0.5498531482423156 Energy: 0.5494068640215929 Energy: 0.5498531482446243 Energy: 0.7024976210535897 Energy: 0.54940686402217 Energy: 0.5498531482475101 Energy: 0.6106684752673648 Energy: 0.5498531482457786 Energy: 0.5494068640198614 Energy: 0.5498531482452015 Energy: 0.6106684752639018 Energy: 0.5494068640215929 Energy: 0.5498531482434699 Energy: 0.6174789353505339 Energy: 0.5498531482446243 Energy: 0.5494068640198614 Energy: 0.5498531482486645 Energy: 0.7049512174962113 Energy: 0.5494068640227472 Energy: 0.5498531482475101 Energy: 0.6369194729004698 Energy: 0.5498531482446243 Energy: 0.54940686402217 Energy: 0.5498531482440471 Energy: 0.6369194729016242 Energy: 0.54940686402217 Energy: 0.5498531482452015 Energy: 0.6957794526038688 Energy: 0.5498531482480873 Energy: 0.5494068640198614 Energy: 0.5498531482446243 Energy: 0.6969047310817253 Energy: 0.5494068640215929 Energy: 0.5498531482434699 Energy: 0.7085524893919721 Energy: 0.5498531482452015 Energy: 0.5494068640198614 Energy: 0.5498531482463558 Energy: 0.7059157044751739 Energy: 0.5494068640210157 Energy: 0.549853148246933 Energy: 0.704951217495057 Energy: 0.5498531482440471 Energy: 0.5494068640215929 Energy: 0.5498531482428927 Energy: 0.7049512174962113 Energy: 0.54940686402217 Energy: 0.5498531482463558 Energy: 0.7107983554112111 Energy: 0.5498531482457786 Energy: 0.5494068640192842 Energy: 0.5498531482446243 Energy: 0.6326604263507211 minimum gb energy = 0.5494068640192842 eV minimum distance = 2.4610529928681 Angstroms sigma value = 23