Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_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=4.045259781181812 cohesive_energy=3.410925190644327 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: 0.012891328363746436 Energy: 0.24151327468198414 Energy: 0.4076631108210423 Energy: 0.24149060554438923 Energy: 0.012891328362155983 Energy: 0.2415132746805982 Energy: 0.6344777517820881 Energy: 0.2956416907710258 Energy: 0.013724728611065341 Energy: 0.1132953039737037 Energy: 0.013657899606612569 Energy: 0.29564169077202557 Energy: 0.013724728611678802 Energy: 0.11329530396990933 Energy: 0.012891328363360184 Energy: 0.2415132746821886 Energy: 0.5437089725776652 Energy: 0.24149060554457097 Energy: 0.012891328362155983 Energy: 0.24151327468039369 Energy: 0.6344777517824971 Energy: 0.2956416907710258 Energy: 0.013724728610883575 Energy: 0.11329530397329472 Energy: 0.013657899606998822 Energy: 0.29564169077184377 Energy: 0.013724728612065055 Energy: 0.11329530396950035 Energy: 0.012891328363746436 Energy: 0.24151327468198414 Energy: 0.634477751780884 Energy: 0.24149060554398025 Energy: 0.012891328362155983 Energy: 0.24151327468039369 Energy: 0.664841170788246 Energy: 0.29564169077063956 Energy: 0.013724728610883575 Energy: 0.1132953039737037 Energy: 0.013657899606998822 Energy: 0.29564169077184377 Energy: 0.013724728611883289 Energy: 0.11329530396950035 minimum gb energy = 0.012891328362155983 eV minimum distance = 2.83407281043012 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.62491090811132 Energy: 0.6319001677919889 Energy: 0.6744929572852683 Energy: 0.6384443574076046 Energy: 0.6249109081308615 Energy: 0.6319001677822181 Energy: 0.6730161183109916 Energy: 0.568292717635044 Energy: 0.5942977324032171 Energy: 0.6172846785921455 Energy: 0.580765265826421 Energy: 0.5682927176277159 Energy: 0.5942977324032171 Energy: 0.6172846785848175 Energy: 0.5663321295711219 Energy: 0.5836951856050968 Energy: 0.6557832361075627 Energy: 0.576893993096396 Energy: 0.5663321295760073 Energy: 0.5836951856002114 Energy: 0.6557832361100054 Energy: 0.6092571322547466 Energy: 0.5975301648972202 Energy: 0.6294503764378525 Energy: 0.5828067827897956 Energy: 0.6092571322547466 Energy: 0.5975301649021056 Energy: 0.6294503764524643 Energy: 0.5668233963592951 Energy: 0.5700708394612722 Energy: 0.6553511261019336 Energy: 0.5937334357480559 Energy: 0.5668233963592951 Energy: 0.5700708394539441 Energy: 0.6553511261117043 Energy: 0.5907833029766572 Energy: 0.5968697755736329 Energy: 0.6170133843451236 Energy: 0.5936617968503134 Energy: 0.5907833029571601 Energy: 0.5968697755834036 Energy: 0.6170133843524517 Energy: 0.5687302070843656 Energy: 0.596413521820971 Energy: 0.677297046088743 Energy: 0.6089843130871913 Energy: 0.5687302070916938 Energy: 0.596413521828299 Energy: 0.677297046088743 Energy: 0.5709317464377281 Energy: 0.5783620771668431 Energy: 0.6428052092654621 Energy: 0.5806986259860205 Energy: 0.5709317464255148 Energy: 0.5783620771473015 Energy: 0.6428052092776756 Energy: 0.5628798032670115 Energy: 0.582294005229289 Energy: 0.6376572259415727 Energy: 0.574816626076204 Energy: 0.5628798032767821 Energy: 0.582294005229289 Energy: 0.6376572259366874 Energy: 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0.6626463051468625 Energy: 0.5737061753345983 Energy: 0.5821234917770357 Energy: 0.6140292320974711 Energy: 0.6094423374716584 Energy: 0.5737061753419262 Energy: 0.5821234917697077 Energy: 0.6140292320950282 Energy: 0.6043622210274405 Energy: 0.5876217797543434 Energy: 0.6769555967137616 Energy: 0.5688466257533136 Energy: 0.6043622210298832 Energy: 0.587621779749458 Energy: 0.6769555967259749 Energy: 0.5935036035851348 Energy: 0.6419992352035756 Energy: 0.6471728596599664 Energy: 0.6450168891564437 Energy: 0.5935036035875774 Energy: 0.641999235201133 Energy: 0.6471728596697371 Energy: 0.5887147614688176 Energy: 0.5764216901680344 Energy: 0.6633469937592634 Energy: 0.5759422507810602 Energy: 0.5887147614566042 Energy: 0.5764216901826905 Energy: 0.6633469937690343 Energy: 0.5766944417017298 Energy: 0.5902801901443214 Energy: 0.6539044058859357 Energy: 0.5801979550926364 Energy: 0.5766944416993315 Energy: 0.5902801901467641 Energy: 0.6539044058859357 Energy: 0.5798234514809129 Energy: 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0.5838431981161681 Energy: 0.6227266434819548 Energy: 0.5892593577034515 Energy: 0.59122533936592 Energy: 0.6486397263460735 Energy: 0.587050513841128 Energy: 0.5892593577034515 Energy: 0.5912253393610346 Energy: 0.6486397263509589 Energy: 0.6371465725944326 Energy: 0.5976821381236564 Energy: 0.6448229417995114 Energy: 0.5965634064157697 Energy: 0.6371465725773338 Energy: 0.5976821381187711 Energy: 0.6448229417970687 Energy: 0.5915945994784291 Energy: 0.5671132321359085 Energy: 0.6595675402781295 Energy: 0.5869696820666171 Energy: 0.5915945994833145 Energy: 0.5671132321383511 Energy: 0.6595675402756866 Energy: 0.5576687243646227 Energy: 0.5756371644409332 Energy: 0.658701708379077 Energy: 0.5805909801339454 Energy: 0.5576687243670654 Energy: 0.5756371644384904 Energy: 0.6587017083766343 Energy: 0.567926564458721 Energy: 0.5974211656771996 Energy: 0.6724424346668573 Energy: 0.604228871285901 Energy: 0.5679265644440649 Energy: 0.5974211656796423 Energy: 0.6724424346717425 Energy: 0.5631878723117214 Energy: 0.5959832627168189 Energy: 0.60330307737616 Energy: 0.5699271553799973 Energy: 0.5631878723190494 Energy: 0.5959832627046053 Energy: 0.6033030773712746 minimum gb energy = 0.5576687243646227 eV minimum distance = 2.4686407769255 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.6039638135586831 Energy: 0.58377972875662 Energy: 0.677025543423567 Energy: 0.5741889638829515 Energy: 0.6039638135728492 Energy: 0.5837797287696264 Energy: 0.6719042179452206 Energy: 0.5652036702313589 Energy: 0.5696456475023379 Energy: 0.6844413267734385 Energy: 0.5727010901782386 Energy: 0.5652036702341315 Energy: 0.5696456475125719 Energy: 0.6814415168714668 Energy: 0.5643761425251497 Energy: 0.572188502276056 Energy: 0.6522917661854047 Energy: 0.5702991772008769 Energy: 0.5643761425157224 Energy: 0.572188502283265 Energy: 0.6351204381263977 Energy: 0.5726413628258231 Energy: 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0.6038740991543613 Energy: 0.58150329333154 Energy: 0.6025569473049198 Energy: 0.648089283596892 Energy: 0.5696892795002835 Energy: 0.5815032933262971 Energy: 0.6025569473018446 Energy: 0.6480892835880192 Energy: 0.5724184691939289 Energy: 0.5910277179213365 Energy: 0.6199729529446909 Energy: 0.569371690102577 Energy: 0.5724184691997769 Energy: 0.5910277179124637 Energy: 0.6199729529446909 Energy: 0.5637373795262204 Energy: 0.5699100222565019 Energy: 0.6247806150902075 Energy: 0.5743488550458636 Energy: 0.5637373795320179 Energy: 0.569910022265677 Energy: 0.6247806150766465 Energy: 0.5699031460359613 Energy: 0.5701549723037088 Energy: 0.6078690939721213 Energy: 0.5732113977161348 Energy: 0.5699031460442794 Energy: 0.5701549723056246 Energy: 0.6078690939671305 Energy: 0.5684565579867726 Energy: 0.583779728757477 Energy: 0.6592153615337535 Energy: 0.5741889638840605 Energy: 0.5684565579748249 Energy: 0.5837797287718446 Energy: 0.6592153615270989 Energy: 0.5652036702255614 Energy: 0.5696456475048082 Energy: 0.65803813681309 Energy: 0.5765803717438427 Energy: 0.565203670232468 Energy: 0.5696456475167561 Energy: 0.6580381368069899 minimum gb energy = 0.5629883640804321 eV minimum distance = 2.47924243253953 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.6228294813277581 Energy: 0.5763633188339972 Energy: 0.7075470828191585 Energy: 0.5777975528546939 Energy: 0.6228294813267976 Energy: 0.57636331883749 Energy: 0.68186796841559 Energy: 0.6117853832588407 Energy: 0.5728360019095194 Energy: 0.6249854353248856 Energy: 0.5801319840580801 Energy: 0.6117853832562794 Energy: 0.5728360019130413 Energy: 0.6249854353226445 Energy: 0.5906001732767991 Energy: 0.594587479433201 Energy: 0.6530966953808938 Energy: 0.5808809609332981 Energy: 0.590600173274878 Energy: 0.5945874794383237 Energy: 0.6649906761087226 Energy: 0.5842647528139655 Energy: 0.578665507701848 Energy: 0.6700206963029436 Energy: 0.5749526372831474 Energy: 0.5842647528165268 Energy: 0.5786655076960849 Energy: 0.6700206963039039 Energy: 0.5929267378952157 Energy: 0.5778262432629981 Energy: 0.6435326967938166 Energy: 0.5866867624207991 Energy: 0.5929267378952157 Energy: 0.5778262432652393 Energy: 0.6507723741621463 Energy: 0.5931453894853219 Energy: 0.5744703626706074 Energy: 0.640726358440762 Energy: 0.5672832468497851 Energy: 0.5931453894853219 Energy: 0.5744703626686866 Energy: 0.640726358444604 Energy: 0.5965835912622984 Energy: 0.6168915120867592 Energy: 0.6269764081389282 Energy: 0.6026373467074978 Energy: 0.5965835912667807 Energy: 0.616891512084518 Energy: 0.6526189710074192 Energy: 0.5904348281134021 Energy: 0.5817988617260914 Energy: 0.6798052739830948 Energy: 0.5718680990772759 Energy: 0.5904348281121214 Energy: 0.5817988617267319 Energy: 0.6798052739824545 Energy: 0.5820209038627094 Energy: 0.5755187148013213 Energy: 0.6878268481165709 Energy: 0.5830670210860932 Energy: 0.5820209038569464 Energy: 0.5755187148013213 Energy: 0.6958329808122928 Energy: 0.594476575920802 Energy: 0.6050881197298438 Energy: 0.6351864801822977 Energy: 0.608972023672582 Energy: 0.5944765759201618 Energy: 0.6050881197295236 Energy: 0.6351864802229296 Energy: 0.6084029106507529 Energy: 0.5726390704959887 Energy: 0.6661707963221497 Energy: 0.5814071129502217 Energy: 0.6084029106504328 Energy: 0.5726390704979096 Energy: 0.666170796318948 Energy: 0.5934812274771178 Energy: 0.5973358174217872 Energy: 0.6363763895317918 Energy: 0.58180049954424 Energy: 0.5934812274796791 Energy: 0.5973358174227476 Energy: 0.6363763895311513 Energy: 0.5846090223935042 Energy: 0.5738315638509104 Energy: 0.6342955110773891 Energy: 0.5793477843306442 Energy: 0.5846090223941446 Energy: 0.5738315638512306 Energy: 0.6342955110745075 Energy: 0.5737134883093482 Energy: 0.5941690065851464 Energy: 0.6567243802731914 Energy: 0.5897394243743758 Energy: 0.5737134883061464 Energy: 0.5941690065848262 Energy: 0.656724380272551 Energy: 0.590624477459297 Energy: 0.5780274911436344 Energy: 0.6615023754453064 Energy: 0.5733914544252051 Energy: 0.5906244774599374 Energy: 0.5780274911436344 Energy: 0.6615023754465871 Energy: 0.598566465901159 Energy: 0.58213305505098 Energy: 0.6347087024455512 Energy: 0.5995133424488448 Energy: 0.5985664658941154 Energy: 0.582133055047458 Energy: 0.6347087024455512 Energy: 0.614264494766202 Energy: 0.5741295634789653 Energy: 0.6427785232390051 Energy: 0.5740195372170656 Energy: 0.6142644947646013 Energy: 0.5741295634834476 Energy: 0.642778523236764 Energy: 0.601468856155425 Energy: 0.6088733867770997 Energy: 0.613452437806132 Energy: 0.5962147035104032 Energy: 0.6014688561627888 Energy: 0.6088733867745383 Energy: 0.6134524378099742 Energy: 0.5865471665215072 Energy: 0.5831108139925879 Energy: 0.6763084022450078 Energy: 0.5703380307005965 Energy: 0.5865471665221476 Energy: 0.5831108139925879 Energy: 0.676308402245648 Energy: 0.5870187444132463 Energy: 0.5755508793936566 Energy: 0.6463391851728346 Energy: 0.5810879900215145 Energy: 0.5870187444129262 Energy: 0.5755508793981098 Energy: 0.6463391851766765 Energy: 0.590203205407393 Energy: 0.6090822738786377 Energy: 0.6438249131143025 Energy: 0.6167830601429733 Energy: 0.5902032054102747 Energy: 0.6090822738751158 Energy: 0.6438249131187846 Energy: 0.5892559450975265 Energy: 0.5708276887112025 Energy: 0.6717062296935382 Energy: 0.5818788980445607 Energy: 0.5892559450936845 Energy: 0.5708276887134436 Energy: 0.6717062296947899 Energy: 0.6107322972303528 Energy: 0.5866545253635275 Energy: 0.6637970647291658 Energy: 0.5776217824058419 Energy: 0.6107322972297125 Energy: 0.5866545253619266 Energy: 0.6637970647326876 Energy: 0.5895393678321842 Energy: 0.5754495184296969 Energy: 0.6532938966099994 Energy: 0.5803152786020319 Energy: 0.5895393678344253 Energy: 0.5754495184312977 Energy: 0.653293896607758 Energy: 0.5760352126135121 Energy: 0.5855415828043955 Energy: 0.6759506318381372 Energy: 0.5902738006954988 Energy: 0.5760352126128717 Energy: 0.585541582807597 Energy: 0.6759506318381372 Energy: 0.6118689286054733 Energy: 0.579761755235281 Energy: 0.6243428869438279 Energy: 0.5724533879179777 Energy: 0.6118689286067539 Energy: 0.5797617552368818 Energy: 0.6243428869447885 Energy: 0.6163649697508858 Energy: 0.5777909797709108 Energy: 0.6716738386322575 Energy: 0.5775849742168684 Energy: 0.6163649697483246 Energy: 0.57779097976963 Energy: 0.671673838631297 Energy: 0.6201578531650782 Energy: 0.5738387910693902 Energy: 0.6285099931289376 Energy: 0.5734150894463105 Energy: 0.6201578531644378 Energy: 0.5738387910649078 Energy: 0.6285099931302183 Energy: 0.5873609369508245 Energy: 0.5901943066751214 Energy: 0.6658191785814903 Energy: 0.5833733129429416 Energy: 0.5873609369453816 Energy: 0.5901943066760819 Energy: 0.665819178583091 Energy: 0.5880661603359228 Energy: 0.5740097455346999 Energy: 0.6683425005299811 Energy: 0.5753247090183815 Energy: 0.5880661603410455 Energy: 0.5740097455359804 Energy: 0.6683425005319021 Energy: 0.5947657136400337 Energy: 0.5779301943158929 Energy: 0.663695522602996 Energy: 0.5998107721488588 Energy: 0.5947657136400337 Energy: 0.5779301943158929 Energy: 0.6636955225962724 Energy: 0.5890433316585288 Energy: 0.582388952158497 Energy: 0.6488335270862969 Energy: 0.5682050541735171 Energy: 0.5890433316578886 Energy: 0.5823889521543348 Energy: 0.6488335270891784 Energy: 0.5903473556123945 Energy: 0.6080722143364139 Energy: 0.6557039487310137 Energy: 0.6048600756294567 Energy: 0.5903473556117541 Energy: 0.6080722143392955 Energy: 0.6789078262455711 Energy: 0.587017845671286 Energy: 0.5811074257338672 Energy: 0.6806474404265075 Energy: 0.5743069355605182 Energy: 0.5870178456674441 Energy: 0.5811074257335471 Energy: 0.6806474404233057 Energy: 0.5854543907198184 Energy: 0.5702783584949821 Energy: 0.6940666693653079 Energy: 0.5816116902825285 Energy: 0.5854543907182176 Energy: 0.5702783584940215 Energy: 0.6940666693621064 Energy: 0.5932560161514465 Energy: 0.5995963753835641 Energy: 0.6274090469502767 Energy: 0.6089316302233057 Energy: 0.5932560161517668 Energy: 0.5995963753771608 Energy: 0.627409046950597 minimum gb energy = 0.5672832468497851 eV minimum distance = 2.46600210901509 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.565072564721804 Energy: 0.584511387748975 Energy: 0.6202782048359489 Energy: 0.584423814139304 Energy: 0.5650725647142468 Energy: 0.5845113877553987 Energy: 0.6298216488937166 Energy: 0.5586857346989393 Energy: 0.6120378355772474 Energy: 0.6205261879430223 Energy: 0.6101850843318163 Energy: 0.558685734692138 Energy: 0.6120378355583546 Energy: 0.6205261879437779 Energy: 0.5650109238627496 Energy: 0.5437470889683045 Energy: 0.5910098628516891 Energy: 0.5709243845266329 Energy: 0.565010923861994 Energy: 0.5437470889766173 Energy: 0.5924716501830076 Energy: 0.5729735656248357 Energy: 0.6121870784742338 Energy: 0.6202839629421275 Energy: 0.613974195231584 Energy: 0.5729735656123663 Energy: 0.6121870784753674 Energy: 0.620283962933059 Energy: 0.5947851898391133 Energy: 0.5764413624316997 Energy: 0.5844011665209277 Energy: 0.570768904539979 Energy: 0.5947851898334454 Energy: 0.5764413624385013 Energy: 0.5526655790991776 Energy: 0.5730802457421511 Energy: 0.6112658784108145 Energy: 0.6117429848235582 Energy: 0.6132475584351547 Energy: 0.5730802457440404 Energy: 0.6112658784270624 Energy: 0.6117429848111233 Energy: 0.6469395425207922 Energy: 0.576273719378387 Energy: 0.6125894159320835 Energy: 0.5761069324955658 Energy: 0.6469395425189031 Energy: 0.576273719370452 Energy: 0.6096108760924251 Energy: 0.5871459082186423 Energy: 0.5776463551066915 Energy: 0.6310038756455093 Energy: 0.5779944123608943 Energy: 0.5871459082099516 Energy: 0.5776463551168937 Energy: 0.6310038756485322 Energy: 0.646926898710212 Energy: 0.5761043070788602 Energy: 0.6245770283365403 Energy: 0.5762862335383216 Energy: 0.646926898707567 Energy: 0.5761043070879287 Energy: 0.6302590207390184 Energy: 0.5730848857821508 Energy: 0.6131596901781375 Energy: 0.613611589963842 Energy: 0.6112631467718604 Energy: 0.5730848857844179 Energy: 0.6131596901758705 Energy: 0.6136115899544299 Energy: 0.5935795575542188 Energy: 0.5707796770669242 Energy: 0.5844891134259219 Energy: 0.5764615791246422 Energy: 0.5935795575527074 Energy: 0.5707796770707028 Energy: 0.6282512439963324 Energy: 0.5729821284251223 Energy: 0.613978994652343 Energy: 0.6202767545269906 Energy: 0.6121153259726159 Energy: 0.5729821284160537 Energy: 0.6139789946470873 Energy: 0.6202767545266127 Energy: 0.5650967008543976 Energy: 0.5709625355416412 Energy: 0.5764571415536981 Energy: 0.5438689348296691 Energy: 0.5650967008555312 Energy: 0.5709625355514655 Energy: 0.585938875809365 Energy: 0.5587236775920587 Energy: 0.610199387452172 Energy: 0.6203793993652761 Energy: 0.6120152931445908 Energy: 0.5587236775905472 Energy: 0.6101993874585956 Energy: 0.6203793993528067 Energy: 0.5650725647225597 Energy: 0.5845113877474636 Energy: 0.6095535127495633 Energy: 0.584423814139304 Energy: 0.5650725647168918 Energy: 0.5845113877538872 Energy: 0.6238630870879813 Energy: 0.5586857346981836 Energy: 0.6120378355772474 Energy: 0.6205261879441558 Energy: 0.6101850843333276 Energy: 0.5586857346913823 Energy: 0.6120378355591102 Energy: 0.6205261879456673 Energy: 0.5650109238657726 Energy: 0.5437470889679265 Energy: 0.5924716501875418 Energy: 0.5709243845277664 Energy: 0.5650109238638832 Energy: 0.5437470889754836 Energy: 0.5924716501799847 Energy: 0.5729735656229463 Energy: 0.6121870784723445 Energy: 0.6202839629417496 Energy: 0.6139741952312062 Energy: 0.5729735656116107 Energy: 0.6121870784731003 Energy: 0.6202839629323031 Energy: 0.5947851898398689 Energy: 0.5764413624279212 Energy: 0.5667831422602384 Energy: 0.570768904542624 Energy: 0.5947851898334454 Energy: 0.5764413624377455 Energy: 0.5719037351021349 Energy: 0.5730802457425288 Energy: 0.6112658784100589 Energy: 0.6117429848239361 Energy: 0.6132475584385555 Energy: 0.5730802457436626 Energy: 0.6112658784278181 Energy: 0.6117429848137682 Energy: 0.6469395425226815 Energy: 0.5762737193802763 Energy: 0.5941278619100483 Energy: 0.5761069324951879 Energy: 0.6469395425204145 Energy: 0.5762737193719634 Energy: 0.5796814685057226 Energy: 0.5871459082205317 Energy: 0.5776463551066915 Energy: 0.6310038756432421 Energy: 0.577994412364295 Energy: 0.5871459082103295 Energy: 0.5776463551168937 Energy: 0.6310038756470209 Energy: 0.646926898710212 Energy: 0.5761043070826387 Energy: 0.6295294152633365 Energy: 0.5762862335417223 Energy: 0.6469268987064335 Energy: 0.5761043070890622 Energy: 0.6320895550271313 Energy: 0.5730848857840402 Energy: 0.6131596901739812 Energy: 0.6136115899661092 Energy: 0.6112631467722383 Energy: 0.5730848857855515 Energy: 0.6131596901717139 Energy: 0.6136115899566972 Energy: 0.5935795575549745 Energy: 0.5707796770657907 Energy: 0.5844891134221433 Energy: 0.5764615791227531 Energy: 0.593579557553841 Energy: 0.5707796770718363 Energy: 0.5844891134206318 Energy: 0.5729821284273894 Energy: 0.6139789946530987 Energy: 0.6202767545281241 Energy: 0.6121153259745054 Energy: 0.5729821284179429 Energy: 0.6139789946474652 Energy: 0.6202767545262349 Energy: 0.565096700855909 Energy: 0.5709625355408855 Energy: 0.5764571415540759 Energy: 0.5438689348281577 Energy: 0.5650967008562869 Energy: 0.5709625355495761 Energy: 0.5764571415593659 Energy: 0.5587236775943258 Energy: 0.6101993874544392 Energy: 0.6203793993682989 Energy: 0.6120152931430795 Energy: 0.5587236775897915 Energy: 0.6101993874597291 Energy: 0.6203793993528067 Energy: 0.5650725647214261 Energy: 0.584511387748975 Energy: 0.6010295442279582 Energy: 0.584423814139304 Energy: 0.5650725647142468 Energy: 0.5845113877546428 Energy: 0.601029544230981 Energy: 0.5586857346985615 Energy: 0.6120378355772474 Energy: 0.6205261879430223 Energy: 0.6101850843318163 Energy: 0.5586857346925159 Energy: 0.6120378355587324 Energy: 0.6205261879434002 minimum gb energy = 0.5437470889679265 eV minimum distance = 2.58712310369396 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.5930465891028256 Energy: 0.6040614810233169 Energy: 0.6876448376655838 Energy: 0.604126375381243 Energy: 0.5930465891064952 Energy: 0.6040614810187299 Energy: 0.6387820795423497 Energy: 0.5826619780906366 Energy: 0.5679401268944962 Energy: 0.6422297218107984 Energy: 0.5678683508480332 Energy: 0.582661978096141 Energy: 0.5679401268908265 Energy: 0.6422297218135506 Energy: 0.5932807991649992 Energy: 0.5656712266509591 Energy: 0.6430803264894828 Energy: 0.563983394098211 Energy: 0.5932807991654578 Energy: 0.5656712266560049 Energy: 0.6433658560023001 Energy: 0.6279292152069004 Energy: 0.5678732230320491 Energy: 0.6273299136253209 Energy: 0.5722624133887736 Energy: 0.6279292152055242 Energy: 0.5678732230361774 Energy: 0.6273299136202752 Energy: 0.5713174074484504 Energy: 0.6008698818609275 Energy: 0.5771078337654989 Energy: 0.5932997077447068 Energy: 0.5713174074530374 Energy: 0.600869881861845 Energy: 0.5709200872870339 Energy: 0.6280135117243378 Energy: 0.5812423241197091 Energy: 0.6017633053904083 Energy: 0.585882853796925 Energy: 0.628013511725714 Energy: 0.5812423241174156 Energy: 0.6017633053995617 Energy: 0.5987185930932678 Energy: 0.6009277471419843 Energy: 0.5701953314149824 Energy: 0.5810985903359964 Energy: 0.5987185930932678 Energy: 0.6009277471456539 Energy: 0.570195331418652 Energy: 0.5984234439549734 Energy: 0.5620171244455425 Energy: 0.5621690369700493 Energy: 0.5860928374192782 Energy: 0.5984234439577255 Energy: 0.5620171244455425 Energy: 0.5621690369691319 Energy: 0.5985678105160424 Energy: 0.5783152289741306 Energy: 0.6209225454227281 Energy: 0.5891184946089629 Energy: 0.5985678105091619 Energy: 0.578315228973672 Energy: 0.6205468424334912 Energy: 0.5998682061977386 Energy: 0.5773479048153192 Energy: 0.5915750678682233 Energy: 0.5801038838690371 Energy: 0.5998682061972799 Energy: 0.5773479048130257 Energy: 0.5915750678787735 Energy: 0.6010991029752241 Energy: 0.5879183294987803 Energy: 0.6205024757998528 Energy: 0.5790046538168657 Energy: 0.6010991029793524 Energy: 0.5879183294937347 Energy: 0.6205024757993942 Energy: 0.5462897108291273 Energy: 0.581531891498879 Energy: 0.5865270145810337 Energy: 0.5934416944420804 Energy: 0.5462897108323382 Energy: 0.5815318914929157 Energy: 0.5865270145787402 Energy: 0.6013533948987934 Energy: 0.5841083782000591 Energy: 0.6036474336841057 Energy: 0.5677981009132261 Energy: 0.6013533948937476 Energy: 0.5841083782009765 Energy: 0.6036474336863992 Energy: 0.5460441206955989 Energy: 0.582219142121799 Energy: 0.6038371268749464 Energy: 0.5808521360938332 Energy: 0.5460441206960576 Energy: 0.5822191421273036 Energy: 0.6038371268749464 Energy: 0.6244884215671739 Energy: 0.5546233074694271 Energy: 0.6260356768098542 Energy: 0.5634021339755038 Energy: 0.6244884215713021 Energy: 0.5546233074708032 Energy: 0.6260356768093955 Energy: 0.5418667152427845 Energy: 0.607382986340251 Energy: 0.6047266752498707 Energy: 0.6062812938945682 Energy: 0.5418667152372801 Energy: 0.6073829863374988 Energy: 0.6047266752526229 Energy: 0.607276726706694 Energy: 0.5540808502280095 Energy: 0.6174756856115509 Energy: 0.5636981989322671 Energy: 0.607276726705318 Energy: 0.5540808502284473 Energy: 0.6174756856115509 Energy: 0.5419124371401304 Energy: 0.5736828546805706 Energy: 0.589551164160776 Energy: 0.6037921450322729 Energy: 0.5419124371382956 Energy: 0.5736828546750662 Energy: 0.5895511641580238 Energy: 0.593458179844765 Energy: 0.5540411763161743 Energy: 0.6124799012087327 Energy: 0.5652857112663688 Energy: 0.5934581798443064 Energy: 0.554041176315257 Energy: 0.6124799012119437 Energy: 0.5416253366350554 Energy: 0.5931453634692995 Energy: 0.582742047277635 Energy: 0.5931494504266623 Energy: 0.5416253366382663 Energy: 0.5931453634738864 Energy: 0.5827420472716719 Energy: 0.5934370500950691 Energy: 0.565199221008088 Energy: 0.6118574535153687 Energy: 0.5540445240267403 Energy: 0.5934370500955278 Energy: 0.565199221012675 Energy: 0.6118574535176621 Energy: 0.541919306425894 Energy: 0.6040814144716647 Energy: 0.5896884236382772 Energy: 0.5736958334733804 Energy: 0.5419193064263528 Energy: 0.6040814144698301 Energy: 0.5896884236382772 Energy: 0.6072688953086045 Energy: 0.5635753683047193 Energy: 0.6026097754726929 Energy: 0.5539711605566285 Energy: 0.6072688953141089 Energy: 0.5635753683060954 Energy: 0.602609775475445 Energy: 0.5418016897356175 Energy: 0.6062409675123772 Energy: 0.6045710022014833 Energy: 0.6074014175453651 Energy: 0.5418016897383487 Energy: 0.6062409675091665 Energy: 0.6045710021978138 Energy: 0.6243804619522207 Energy: 0.5634743882719062 Energy: 0.6533686672048313 Energy: 0.5545719517547185 Energy: 0.6243804619453401 Energy: 0.5634743882778693 Energy: 0.6533686672048313 minimum gb energy = 0.5416253366350554 eV minimum distance = 2.46749672556484 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.6332885822467643 Energy: 0.631900498021453 Energy: 0.6439593974029167 Energy: 0.6311088846433818 Energy: 0.6332885822408532 Energy: 0.6319004980176363 Energy: 0.6499977539635122 Energy: 0.6361288551304455 Energy: 0.6202809012404068 Energy: 0.6503968966211577 Energy: 0.6284527066249893 Energy: 0.6361288551286768 Energy: 0.6202809012306788 Energy: 0.650396896612733 Energy: 0.6240841657643943 Energy: 0.6206990448912422 Energy: 0.6634672379804861 Energy: 0.608736821040611 Energy: 0.624084165761043 Energy: 0.6206990448930575 Energy: 0.6774735500942691 Energy: 0.599988383297381 Energy: 0.6246514165323666 Energy: 0.6715605020411455 Energy: 0.6098687605001202 Energy: 0.5999883833093899 Energy: 0.6246514165428392 Energy: 0.6715605020513856 Energy: 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0.6185976407708217 Energy: 0.5958333435021222 Energy: 0.5932302520986684 Energy: 0.6623095583564609 Energy: 0.6286054318258336 Energy: 0.5958333434983053 Energy: 0.5932302521007164 Energy: 0.6675226956866801 Energy: 0.5932385763034854 Energy: 0.6104395556041569 Energy: 0.6245530428358884 Energy: 0.5878735498513971 Energy: 0.5932385763083727 Energy: 0.6104395556141642 Energy: 0.6245530428361212 Energy: 0.5954955618299672 Energy: 0.6035479973705103 Energy: 0.6444879389512775 Energy: 0.625081824948792 Energy: 0.5954955618299672 Energy: 0.6035479973694863 Energy: 0.6459551698848338 Energy: 0.5977546746678142 Energy: 0.5975004004074186 Energy: 0.6664584822580326 Energy: 0.5942031365199887 Energy: 0.5977546746703277 Energy: 0.5975004004017865 Energy: 0.6664584822636646 Energy: 0.6080302982699857 Energy: 0.6131874991369604 Energy: 0.6217941790561069 Energy: 0.6514065077288215 Energy: 0.6080302982776656 Energy: 0.6131874991333763 Energy: 0.6217941790689069 Energy: 0.592323695820338 Energy: 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0.5871497718133237 Energy: 0.6146233907964488 Energy: 0.5816928965167572 Energy: 0.5990384285251633 Energy: 0.6603217582654771 Energy: 0.6199397120733384 Energy: 0.5816928965090772 Energy: 0.5990384285292595 Energy: 0.6603217582711092 Energy: 0.5975560422224332 Energy: 0.5858826166609261 Energy: 0.6387636179820984 Energy: 0.5991069601480883 Energy: 0.5975560422157773 Energy: 0.5858826166473349 Energy: 0.6387636179900575 Energy: 0.5988746582784064 Energy: 0.6080504450984127 Energy: 0.6917598848986611 Energy: 0.6247072083878709 Energy: 0.5988746582845503 Energy: 0.6080504451089319 Energy: 0.6917598848843252 Energy: 0.5966360619245216 Energy: 0.6098215949883301 Energy: 0.6293517480310592 Energy: 0.6112359267761515 Energy: 0.5966360619298742 Energy: 0.6098215950065294 Energy: 0.6293517480344104 Energy: 0.6229974552681231 Energy: 0.6083418179930548 Energy: 0.6971227430270821 Energy: 0.6360567878084937 Energy: 0.6229974552637944 Energy: 0.608341817987702 Energy: 0.6971227430242893 Energy: 0.596488566722835 Energy: 0.6024875780605357 Energy: 0.6976554974359291 Energy: 0.6316796996455452 Energy: 0.5964885667210664 Energy: 0.6024875780694724 Energy: 0.6976554974474258 Energy: 0.6219029167964722 Energy: 0.6083132270991256 Energy: 0.6620840252931406 Energy: 0.6372338092051801 Energy: 0.6219029167969843 Energy: 0.6083132270909336 Energy: 0.6620840252831331 Energy: 0.605547584974032 Energy: 0.602928927072394 Energy: 0.6986057941450662 Energy: 0.6072484168338729 Energy: 0.6055475849660727 Energy: 0.60292892707137 Energy: 0.6986057941348263 Energy: 0.5990702206237394 Energy: 0.6096030818025931 Energy: 0.6545097150304603 Energy: 0.6232398531514157 Energy: 0.5990702206352826 Energy: 0.6096030818138571 Energy: 0.6545097150245954 minimum gb energy = 0.5795245502981752 eV minimum distance = 2.45163525369723 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.5494002113936404 Energy: 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0.5498447947485788 Energy: 0.594337941118907 Energy: 0.5494002113924861 Energy: 0.5498447947485788 Energy: 0.5736191724490893 Energy: 0.5498447947462701 Energy: 0.5494002113919089 Energy: 0.5498447947439614 Energy: 0.5736191724664048 Energy: 0.5494002113924861 Energy: 0.5498447947439614 Energy: 0.5736191724594787 Energy: 0.5498447947497332 Energy: 0.5494002113890228 Energy: 0.549844794749156 Energy: 0.5736191724479349 Energy: 0.5494002113930633 Energy: 0.5498447947451158 Energy: 0.5736191724681102 Energy: 0.5498447947445386 Energy: 0.5494002113913318 Energy: 0.5498447947451158 Energy: 0.573619172448512 Energy: 0.5494002113930633 Energy: 0.5498447947503105 Energy: 0.5736191724571699 Energy: 0.5498447947468473 Energy: 0.5494002113919089 Energy: 0.5498447947456929 Energy: 0.5736191724479349 Energy: 0.5494002113919089 Energy: 0.5498447947433843 Energy: 0.573619172457747 Energy: 0.5498447947485788 Energy: 0.5494002113872913 Energy: 0.549844794749156 Energy: 0.5736191724698417 Energy: 0.5494002113930633 Energy: 0.5498447947456929 Energy: 0.5736191724531295 Energy: 0.5498447947451158 Energy: 0.5494002113924861 Energy: 0.5498447947480017 Energy: 0.5736191724617873 Energy: 0.5494002113924861 Energy: 0.5498447947480017 Energy: 0.5736191724664048 Energy: 0.5498447947456929 Energy: 0.5494002113913318 Energy: 0.5498447947445386 Energy: 0.5736191724675591 Energy: 0.5494002113930633 Energy: 0.5498447947445386 Energy: 0.5736191724617873 Energy: 0.549844794749156 Energy: 0.5494002113884457 Energy: 0.5498447947503105 Energy: 0.5736191724548612 Energy: 0.5494002113936404 Energy: 0.5498447947456929 Energy: 0.5736191724583242 Energy: 0.5498447947433843 Energy: 0.5494002113913318 Energy: 0.5498447947462701 Energy: 0.5736191724456261 minimum gb energy = 0.5422030461269264 eV minimum distance = 2.63661011973744 Angstroms sigma value = 23