Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.8667457550764093 cohesive_energy=4.280654192612446 mass=55.845 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: 0.014912925289608163 Energy: 0.0159986507898184 Energy: 0.015180150405529879 Energy: 1.7709917346509174 Energy: 0.015180150405529879 Energy: 0.015998650789139274 Energy: 0.014912925289608163 Energy: 0.015998650789374357 Energy: 0.015180150405529879 Energy: 1.7709917346506823 Energy: 0.8069254354781163 Energy: 0.015641093588548618 Energy: 0.015394466933407942 Energy: 0.8024887588351262 Energy: 0.015394466933643026 Energy: 0.015641093588783697 Energy: 0.8069254354776462 Energy: 0.015641093589462828 Energy: 0.01539446693408707 Energy: 0.8024887588349172 Energy: 0.014912925290052207 Energy: 0.015998650789374357 Energy: 0.015180150405294798 Energy: 1.7709917346497681 Energy: 0.015180150404850752 Energy: 0.01599865078866911 Energy: 0.014912925289608163 Energy: 0.015998650789139274 Energy: 0.015180150405294798 Energy: 1.7709917346490889 Energy: 0.8069254354769669 Energy: 0.015641093589227745 Energy: 0.015394466933407942 Energy: 0.8024887588351262 Energy: 0.015394466933407942 Energy: 0.01564109358901878 Energy: 0.806925435477202 Energy: 0.015641093589227745 Energy: 0.015394466933643026 Energy: 0.8024887588351262 Energy: 0.014912925289817126 Energy: 0.01599865078958332 Energy: 0.01518015040576496 Energy: 1.7709917346506823 Energy: 0.01518015040576496 Energy: 0.01599865078866911 Energy: 0.014912925289817126 Energy: 0.015998650789139274 Energy: 0.015180150405294798 Energy: 1.7709917346511523 Energy: 0.8069254354778812 Energy: 0.015641093589227745 Energy: 0.015394466933172861 Energy: 0.8024887588351262 Energy: 0.015394466934322153 Energy: 0.015641093588548618 Energy: 0.8069254354778812 Energy: 0.015641093588548618 Energy: 0.01539446693408707 Energy: 0.8024887588351262 Energy: 0.014912925290052207 Energy: 0.015998650789374357 Energy: 0.015180150406000043 Energy: 1.7709917346509174 Energy: 0.015180150405059713 Energy: 0.015998650788434026 Energy: 0.014912925289608163 Energy: 0.01599865078958332 Energy: 0.015180150405294798 Energy: 1.7709917346497681 minimum gb energy = 0.014912925289608163 eV minimum distance = 2.32427175229933 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.8592892740542568 Energy: 1.6581004760028728 Energy: 1.7325917179756756 Energy: 1.8017153106936858 Energy: 1.7197719149629405 Energy: 1.7268330808676047 Energy: 1.8592892740514417 Energy: 1.6581004760062512 Energy: 1.7325917179784909 Energy: 1.8017153106914336 Energy: 1.79056386185078 Energy: 1.7097258447743169 Energy: 1.7374380170241646 Energy: 1.763062323630309 Energy: 1.707746877551261 Energy: 1.7202366830547309 Energy: 1.7905638618485278 Energy: 1.709725844773754 Energy: 1.7374380170303578 Energy: 1.763062323631435 Energy: 1.7476231940158438 Energy: 1.7363319848579775 Energy: 1.6738239789831075 Energy: 1.648823191153113 Energy: 1.7021632915744627 Energy: 1.647125504688393 Energy: 1.747623194019785 Energy: 1.7363319848574144 Energy: 1.6738239789836704 Energy: 1.648823191151424 Energy: 1.6187970867964643 Energy: 1.721420335218917 Energy: 1.651883096398095 Energy: 1.7033954141041978 Energy: 1.6592721752567532 Energy: 1.645254110491017 Energy: 1.6187970867998425 Energy: 1.7214203352149757 Energy: 1.6518830963969693 Energy: 1.7033954141002567 Energy: 1.6732216294564781 Energy: 1.7103776892428053 Energy: 1.6800258563501917 Energy: 1.633846983318707 Energy: 1.6643168268984097 Energy: 1.6424515411604368 Energy: 1.673221629461494 Energy: 1.7103776892399902 Energy: 1.680025856349066 Energy: 1.6338469833170182 Energy: 1.64843258830928 Energy: 1.6860157884365703 Energy: 1.6388845323791885 Energy: 1.6920015622724245 Energy: 1.7355238439079042 Energy: 1.6774796255213653 Energy: 1.648432588313784 Energy: 1.6860157884365703 Energy: 1.638884532385945 Energy: 1.6920015622741134 Energy: 1.6516692712947005 Energy: 1.6519311342024354 Energy: 1.7296218192504205 Energy: 1.6786085524470926 Energy: 1.6565492446794685 Energy: 1.698176407660941 Energy: 1.6516692712935743 Energy: 1.6519311342041247 Energy: 1.7296218192453527 Energy: 1.6786085524437142 Energy: 1.7366879226341603 Energy: 1.7243894573430991 Energy: 1.7272844025277547 Energy: 1.6641979106078835 Energy: 1.7217213430749876 Energy: 1.7662101534333399 Energy: 1.7366879226335976 Energy: 1.7243894573430991 Energy: 1.7272844025300067 Energy: 1.664197910606194 Energy: 1.7096051373503838 Energy: 1.7380888579202511 Energy: 1.7644492069517566 Energy: 1.7323051821053934 Energy: 1.6321850123231734 Energy: 1.7290250108709957 Energy: 1.7096051373481318 Energy: 1.7380888579202511 Energy: 1.76444920695795 Energy: 1.7323051821042672 Energy: 1.6853761801178715 Energy: 1.7145782105439935 Energy: 1.8015833906833738 Energy: 1.7507631952784277 Energy: 1.730023978233677 Energy: 1.8247486534831157 Energy: 1.6853761801178715 Energy: 1.7145782105456828 Energy: 1.8015833906816847 Energy: 1.7507631952812428 Energy: 1.6816878253114809 Energy: 1.686359434175266 Energy: 1.746580520981977 Energy: 1.6791121973842067 Energy: 1.716693971829398 Energy: 1.7285694930209936 Energy: 1.681687825308666 Energy: 1.68635943417414 Energy: 1.7465805209859182 Energy: 1.6791121973819545 Energy: 1.7097151930580565 Energy: 1.6514817604882355 Energy: 1.6426409025344597 Energy: 1.6596964233514642 Energy: 1.663812951920762 Energy: 1.6932469441905909 Energy: 1.7097151930591825 Energy: 1.651481760495555 Energy: 1.6426409025361486 Energy: 1.6596964233531533 Energy: 1.6898548075349833 Energy: 1.64922073791606 Energy: 1.631454764212765 Energy: 1.669757051975201 Energy: 1.6900324366087605 Energy: 1.7190953509398081 Energy: 1.6898548075372355 Energy: 1.64922073791606 Energy: 1.631454764213328 Energy: 1.6697570519768903 Energy: 1.6847864597510471 Energy: 1.639892375221957 Energy: 1.6720494524483824 Energy: 1.6637850198169315 Energy: 1.6928283493678173 Energy: 1.6825836524907893 Energy: 1.684786459753862 Energy: 1.6398923752230832 Energy: 1.6720494524438783 Energy: 1.6637850198096122 Energy: 1.6773485954324374 Energy: 1.6460016182725934 Energy: 1.654398668017843 Energy: 1.7116249545184952 Energy: 1.6936756166469236 Energy: 1.6541995931641829 Energy: 1.6773485954262441 Energy: 1.6460016182680888 Energy: 1.6543986680189693 Energy: 1.7116249545184952 Energy: 1.6653162337199354 Energy: 1.739676217804258 Energy: 1.7082966275153817 Energy: 1.6698577496911837 Energy: 1.7110767154248054 Energy: 1.7120675844537971 Energy: 1.66531623372444 Energy: 1.7396762178098883 Energy: 1.7082966275170706 Energy: 1.6698577496894946 Energy: 1.7151486506431792 Energy: 1.6920199625087935 Energy: 1.7024442169451228 Energy: 1.6854960947103341 Energy: 1.8244752887581626 Energy: 1.6331211505416585 Energy: 1.715148650639801 Energy: 1.6920199625076673 Energy: 1.7024442169434337 Energy: 1.6854960947086448 Energy: 1.7695036055396298 Energy: 1.7850761926920244 Energy: 1.7614219010966328 Energy: 1.6510258046680524 Energy: 1.7890840988750554 Energy: 1.7216803014393838 Energy: 1.769503605541319 Energy: 1.785076192685831 Energy: 1.7614219010960699 Energy: 1.651025804664111 Energy: 1.7009151399116602 Energy: 1.7032671460100401 Energy: 1.7195556303618391 Energy: 1.7028294136226743 Energy: 1.766267412487326 Energy: 1.7061449518279266 Energy: 1.700915139913349 Energy: 1.7032671460122923 Energy: 1.719555630360713 Energy: 1.7028294136226743 Energy: 1.6654161936559875 Energy: 1.7225414805941546 Energy: 1.6634811809141292 Energy: 1.654313793845765 Energy: 1.7041710705345539 Energy: 1.6629978554686708 Energy: 1.6654161936576763 Energy: 1.7225414805975325 Energy: 1.6634811809169447 Energy: 1.6543137938440757 Energy: 1.6676027758333218 Energy: 1.6390859692083843 Energy: 1.6840787300672526 Energy: 1.642129169132375 Energy: 1.6882700113521312 Energy: 1.735212904313267 Energy: 1.667602775835011 Energy: 1.6390859692072584 Energy: 1.684078730072832 Energy: 1.642129169132938 Energy: 1.6809004079526622 Energy: 1.6958457627268715 Energy: 1.6845284027276097 Energy: 1.6466664356675764 Energy: 1.633858933993253 Energy: 1.675073087120559 Energy: 1.6809004079509728 Energy: 1.6958457627296868 Energy: 1.6845284027270468 Energy: 1.6466664356664504 Energy: 1.7040170013281268 Energy: 1.6624825311619507 Energy: 1.6849514546341506 Energy: 1.66274810995109 Energy: 1.7151641489693679 Energy: 1.6491535970550653 Energy: 1.7040170013303786 Energy: 1.6624825311630766 Energy: 1.6849514546335873 Energy: 1.6627481099505266 Energy: 1.7224892956769355 Energy: 1.6644770287776611 Energy: 1.648277709956222 Energy: 1.6875909182526376 Energy: 1.6514753523342383 Energy: 1.721285953278332 Energy: 1.7224892956735574 Energy: 1.6644770287804762 Energy: 1.6482777099584744 Energy: 1.6875909182548898 Energy: 1.7675943469309865 Energy: 1.7618317313830605 Energy: 1.651310025922363 Energy: 1.7286198032046922 Energy: 1.7030251558845086 Energy: 1.686088816259166 Energy: 1.7675943469315496 Energy: 1.7618317313819343 Energy: 1.6513100259201106 Energy: 1.7286198032052553 Energy: 1.801715310691997 Energy: 1.7186463916868369 Energy: 1.6337125126397025 Energy: 1.8089509252641363 Energy: 1.658100476006814 Energy: 1.7325917179745496 Energy: 1.8017153106908708 Energy: 1.7186463916851478 Energy: 1.6337125126385765 Energy: 1.8089509252652622 Energy: 1.7630623236297458 Energy: 1.7077468775506979 Energy: 1.7202366830513527 Energy: 1.7905638618451496 Energy: 1.7097258447748802 Energy: 1.7374380170297947 Energy: 1.7630623236325609 Energy: 1.707746877552387 Energy: 1.7202366830575462 Energy: 1.7905638618440236 Energy: 1.7224892956746836 Energy: 1.702163291577278 Energy: 1.647125504685578 Energy: 1.747623194019222 Energy: 1.7363319848562884 Energy: 1.673823978976914 Energy: 1.7224892956735574 Energy: 1.702163291575589 Energy: 1.647125504688393 Energy: 1.747623194016407 Energy: 1.7033954141019458 Energy: 1.6592721752561903 Energy: 1.645683813344876 Energy: 1.6187970867992798 Energy: 1.7214203352177908 Energy: 1.651883096399221 Energy: 1.7033954141013825 Energy: 1.6592721752590054 Energy: 1.645683813341549 Energy: 1.6187970867987165 minimum gb energy = 1.6187970867964643 eV minimum distance = 2.29547654919329 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.9897793311100376 Energy: 1.7741908512979823 Energy: 1.677465471029941 Energy: 1.824201994619976 Energy: 1.6510949467093443 Energy: 1.89037982197395 Energy: 1.9897793311108618 Energy: 1.7741908512977076 Energy: 1.677465471029941 Energy: 1.824201994619976 Energy: 1.6733534796528486 Energy: 1.7190984023688938 Energy: 1.6722302589054472 Energy: 1.7220524944441922 Energy: 1.6410218041187978 Energy: 1.8207311849415195 Energy: 1.6733534796533984 Energy: 1.7190984023686189 Energy: 1.6722302589054472 Energy: 1.761780502105815 Energy: 1.6342342503514091 Energy: 1.6863878448157394 Energy: 1.6801389398553899 Energy: 1.7422472623802574 Energy: 1.6697990711750696 Energy: 1.6606071790887198 Energy: 1.6342342503533323 Energy: 1.6863878448165635 Energy: 1.6801389398551152 Energy: 1.7422472623802574 Energy: 1.6549900241614617 Energy: 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Energy: 1.7423072295197213 Energy: 1.694633757650523 Energy: 1.7059907103600558 Energy: 1.643967486179753 Energy: 1.7972493410357968 Energy: 1.6776001284316564 Energy: 1.8238851857762053 Energy: 1.6560666373135913 Energy: 1.8168993825893933 Energy: 1.643967486179753 Energy: 1.7972493410357968 Energy: 1.6776001284319313 Energy: 1.823885185775656 Energy: 1.594081014153383 Energy: 1.6721871219182747 Energy: 1.6721627739645981 Energy: 1.7864957342011814 Energy: 1.9055067548771079 Energy: 1.662153268571971 Energy: 1.5940810141536577 Energy: 1.6721871219182747 Energy: 1.672162773963499 Energy: 1.7821131496036655 Energy: 1.7028887384893692 Energy: 1.764943030412764 Energy: 1.6423341697019351 Energy: 1.8555584591428185 Energy: 1.6690758192188522 Energy: 1.7199996891050147 Energy: 1.7028887384893692 Energy: 1.764943030412764 Energy: 1.6423341697030343 Energy: 1.8555584591436427 Energy: 1.6538304709035683 Energy: 1.7265316240635602 Energy: 1.6687170831829883 Energy: 1.7388964376634393 Energy: 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1.4807278937877235 Energy: 1.612914365072456 Energy: 1.4723709114071148 Energy: 1.5627053788677268 Energy: 1.5587616413616154 minimum gb energy = 1.390822345181786 eV minimum distance = 2.34050110534564 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 1.7684012662492403 Energy: 1.7984640031764338 Energy: 1.5911997877037205 Energy: 1.8399643299622261 Energy: 1.591273658792099 Energy: 1.5561618184020103 Energy: 1.76840126624826 Energy: 1.7984640031759438 Energy: 1.5911997877027404 Energy: 1.9729230575671828 Energy: 1.5469749305062876 Energy: 1.8030563422799106 Energy: 1.5465523873718705 Energy: 1.5924223379158406 Energy: 1.5910317360271071 Energy: 1.7264447141696342 Energy: 1.5469749305072678 Energy: 1.803056342280401 Energy: 1.5465523873704003 Energy: 1.5924223379148605 Energy: 1.590899696000936 Energy: 1.5912259646711464 Energy: 1.995092838215226 Energy: 1.9566973671701582 Energy: 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1.5913366106609592 Energy: 1.8128283127087002 Energy: 1.5907652872473814 Energy: 1.5933928638987418 Energy: 2.0451180929857826 Energy: 1.5911171531373123 Energy: 1.5913366106624294 Energy: 1.8324308436118484 Energy: 1.5927696210106765 Energy: 1.5464684355669296 Energy: 1.555645575309101 Energy: 1.546488183049943 Energy: 1.9735090455432822 Energy: 1.8324308436074377 Energy: 1.5927696210126367 Energy: 1.5464684355683997 Energy: 1.5556455753095912 Energy: 1.5464838124893039 Energy: 1.5911568390830528 Energy: 1.5922214550938112 Energy: 2.029120518168177 Energy: 1.5470740098059093 Energy: 1.555715057217501 Energy: 1.5464838124902842 Energy: 1.5911568390825628 Energy: 1.592221455094301 Energy: 2.0291205181676872 Energy: 1.9567007494618078 Energy: 1.9950928382196362 Energy: 1.591211430812082 Energy: 1.5909527120369888 Energy: 1.5911077491594738 Energy: 1.5925165534728916 Energy: 1.9567007494622979 Energy: 1.9950928382191462 Energy: 1.5912114308115919 Energy: 1.590952712036499 Energy: 1.5924490324965468 Energy: 1.546548509307927 Energy: 1.8029324022084616 Energy: 1.5469710165688348 Energy: 1.7264447141706145 Energy: 1.591031501631701 Energy: 1.592449032497527 Energy: 1.546548509308417 Energy: 1.8029324022094417 Energy: 1.5469710165776114 minimum gb energy = 1.5464684355669296 eV minimum distance = 2.31851883078798 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.815834667224731 Energy: 1.646180676228204 Energy: 1.6093197776854649 Energy: 1.8897814677354727 Energy: 1.6099594415609033 Energy: 1.6611244930910625 Energy: 1.8158346672217718 Energy: 1.646180676228204 Energy: 1.6093197776841197 Energy: 1.9097178086593058 Energy: 1.87289145781217 Energy: 1.637023635949661 Energy: 1.6123326745623607 Energy: 1.6219447434801164 Energy: 1.6719094989669407 Energy: 1.6758631452067168 Energy: 1.87289145781217 Energy: 1.6370236359483161 Energy: 1.6123326745615536 Energy: 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Energy: 1.6624773824610641 Energy: 1.8444983718131598 Energy: 1.6509775527057033 Energy: 1.6115434496584815 Energy: 1.6696054747673974 Energy: 1.6361335127627612 Energy: 1.598761890005331 Energy: 1.6311303341504477 Energy: 1.887962037805839 Energy: 1.6354969531583494 Energy: 1.5980619606832804 Energy: 1.817976935834336 Energy: 1.598761890005331 Energy: 1.6311303341501786 Energy: 1.8879620378039559 Energy: 1.6354969531564663 Energy: 1.627558118727877 Energy: 1.8176304531940857 Energy: 1.5973434049371535 Energy: 1.6360051885203282 Energy: 1.6964925011427112 Energy: 1.8488094410733578 Energy: 1.6275581187324504 Energy: 1.8176304531965068 Energy: 1.597343404939575 Energy: 1.6360051885200595 Energy: 1.6698147732281365 Energy: 1.6305894081326466 Energy: 1.8603912472531223 Energy: 1.6356654743997838 Energy: 1.7028546984066666 Energy: 1.6117175359253746 Energy: 1.6698147732265223 Energy: 1.6305894081318395 Energy: 1.8603912472574267 Energy: 1.6356654743979009 Energy: 1.6660396189091775 Energy: 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1.6149425350501991 Energy: 1.641486365278446 Energy: 1.6819047225117747 Energy: 1.7138953458004147 Energy: 1.6890286012342965 Energy: 1.6578708715588 Energy: 1.667394400621527 Energy: 1.608976646498167 Energy: 1.6819047225155415 Energy: 1.7138953458001456 Energy: 1.689028601238601 Energy: 1.6578708715536883 Energy: 1.6057542958200357 Energy: 1.6424837636680578 Energy: 1.624412273394998 Energy: 1.6234954231014889 Energy: 1.6237804516481902 Energy: 1.8582624962807475 Energy: 1.6057542958168076 Energy: 1.6424837636731693 Energy: 1.624412273395805 Energy: 1.6234954231009504 Energy: 1.613973083552703 Energy: 1.6559009273684113 Energy: 1.9179965965510486 Energy: 1.856466727323086 Energy: 1.6231523974631548 Energy: 1.6060019768303222 Energy: 1.613973083552165 Energy: 1.6559009273676044 Energy: 1.9179965965505104 Energy: 1.8564667273244309 Energy: 1.608630186776764 Energy: 1.694738831052353 Energy: 1.591350043304676 Energy: 1.6098337728008931 Energy: 1.6688056442607722 Energy: 1.6953277130314721 Energy: 1.6086301867799924 Energy: 1.694738831051277 Energy: 1.591350043304676 Energy: 1.6098337727965886 Energy: 1.6552386201751488 Energy: 1.6312156206656896 Energy: 1.6135188535815526 Energy: 1.6100300375054875 Energy: 1.6577689483427254 Energy: 1.6426163589008782 Energy: 1.6552386201778393 Energy: 1.6312156206659585 Energy: 1.6135188535788625 Energy: 1.6100300375068326 Energy: 1.6262081586850647 Energy: 1.8175596434432155 Energy: 1.5991749767482684 Energy: 1.6303196445523918 Energy: 1.862179218355986 Energy: 1.850127847067727 Energy: 1.6262081586888066 Energy: 1.8175596434424086 Energy: 1.5991749767474612 Energy: 1.6303196445518535 minimum gb energy = 1.5872494992413906 eV minimum distance = 2.28885866406502 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.490571333902268 Energy: 1.4878346912382687 Energy: 1.4218735402746085 Energy: 1.422111420992305 Energy: 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1.7752224395708487 Energy: 1.755823409604597 Energy: 1.797953574805129 Energy: 1.733045599954876 Energy: 1.8205637270735637 Energy: 1.7328681993024018 Energy: 1.7752224395724607 Energy: 1.7558234096052538 Energy: 1.797953574806144 Energy: 1.859593573891866 Energy: 1.83832995236809 Energy: 1.73450077611485 Energy: 1.9993109693164763 Energy: 1.736368546081408 Energy: 1.7734711245413353 Energy: 1.859593573891866 Energy: 1.8383299523648065 Energy: 1.734500776114552 Energy: 1.9993109693230435 Energy: 1.8473611327182773 Energy: 1.7732374164106492 Energy: 1.8629670665994709 Energy: 1.7677136712667854 Energy: 1.7776505006950123 Energy: 1.773679024091596 Energy: 1.8473611327149937 Energy: 1.7732374164073657 Energy: 1.8629670666027545 Energy: 1.767713671270069 minimum gb energy = 1.7286904055927008 eV minimum distance = 2.30521127707267 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 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1.695694745332231 Energy: 1.9834009985724286 Energy: 1.811395971697407 Energy: 1.7857991292324835 Energy: 1.8339063354920782 Energy: 1.6963432908918616 Energy: 1.8336884394454687 Energy: 1.8380391680109502 Energy: 1.8561137206609168 Energy: 1.7169544733574755 Energy: 1.8339063354932847 Energy: 1.6963432908922638 Energy: 1.8336884394454687 Energy: 1.8380391680101458 Energy: 1.912559529469101 Energy: 1.6952235755949934 Energy: 1.7475160414506299 Energy: 1.8107793729453812 Energy: 1.777081726925976 Energy: 1.827920062411288 Energy: 1.912559529469101 Energy: 1.695223575593787 Energy: 1.7475160414502278 Energy: 1.810779372944979 Energy: 1.7589383783401722 Energy: 1.963510664975115 Energy: 1.853876615591724 Energy: 1.7817203784638656 Energy: 2.058098688809811 Energy: 1.73931052779366 Energy: 1.7589383783405743 Energy: 1.9635106649759195 Energy: 1.8538766155909194 Energy: 1.7817203784638656 Energy: 1.7583831455240444 Energy: 1.7656553243293691 Energy: 1.8269380296603153 Energy: 1.9803179696996986 Energy: 1.7696471350831626 Energy: 1.8106263138858028 Energy: 1.7583831455240444 Energy: 1.765655324329771 Energy: 1.8269380296611195 Energy: 1.9803179696996986 Energy: 1.8380635822147489 Energy: 1.8222207907265238 Energy: 1.7987869963710794 Energy: 1.936908335992752 Energy: 1.696659984799486 Energy: 1.7995912431205947 Energy: 1.838063582214347 Energy: 1.8222207907265238 Energy: 1.7987869963710794 Energy: 1.9369083359943604 Energy: 1.8118532942205798 Energy: 1.8525238048901145 Energy: 1.8525270276155106 Energy: 1.8119545501093424 Energy: 1.7348569749507459 Energy: 1.7379162921497726 Energy: 1.8118532942189711 Energy: 1.8525238048901145 Energy: 1.8525270276155106 Energy: 1.8119545501093424 Energy: 1.9369345084081024 Energy: 1.7988661842293368 Energy: 1.8222062317175902 Energy: 1.8379009809052098 Energy: 1.7994545527143957 Energy: 1.696647606435547 Energy: 1.9369345084077005 Energy: 1.7988661842289346 Energy: 1.822206231716786 Energy: 1.8379009809060138 Energy: 1.98030654684661 Energy: 1.8269205381307578 Energy: 1.7656549299901168 Energy: 1.7584051578641626 Energy: 1.8107137956879633 Energy: 1.7696631479982927 Energy: 1.9803065468478163 Energy: 1.8269205381307578 Energy: 1.7656549299897146 Energy: 1.7584051578637605 Energy: 1.7817865141886697 Energy: 1.8538652209815905 Energy: 1.9635106649759195 Energy: 1.758967405641189 Energy: 1.739313894833157 Energy: 2.058098688809811 Energy: 1.7817865141882678 Energy: 1.8538652209811881 Energy: 1.9635106649743108 Energy: 1.7589674056399824 Energy: 1.8107776107666278 Energy: 1.7476231788284207 Energy: 1.694639483848559 Energy: 1.9125472137298696 Energy: 1.827862167484186 Energy: 1.7767839729939119 Energy: 1.8107776107674325 Energy: 1.7476231788280183 Energy: 1.6946394838489613 Energy: 1.9125472137294675 minimum gb energy = 1.694639483848559 eV minimum distance = 2.27378313988635 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.4050190286663689 Energy: 1.4465136164693 Energy: 1.4549252464083946 Energy: 2.0220157426608374 Energy: 1.4548738876972602 Energy: 1.4961732093057563 Energy: 1.4050190286670954 Energy: 1.4465136164678463 Energy: 1.4549252464069409 Energy: 2.0544412591662002 Energy: 1.4544532410183328 Energy: 1.824337630057712 Energy: 1.454861553761432 Energy: 1.5023807981712844 Energy: 1.9865895542205756 Energy: 1.4471995568884297 Energy: 1.4544532410183328 Energy: 1.8243376300584389 Energy: 1.4548615537628857 Energy: 1.6451124368483747 Energy: 1.4964761404215243 Energy: 1.4015720754797771 Energy: 2.020492304821543 Energy: 1.4042492164656646 Energy: 1.452746156611136 Energy: 1.4510446184490646 Energy: 1.4964761404215243 Energy: 1.4015720754826848 Energy: 2.020492304821543 Energy: 1.404249216458396 Energy: 2.0204925178821993 Energy: 1.4015501781950301 Energy: 1.496417907847005 Energy: 1.45104127851497 Energy: 1.4530973727263667 Energy: 1.40441749793804 Energy: 2.0204925178814723 Energy: 1.4015501781928494 Energy: 1.4964179078426438 Energy: 1.45104127851497 Energy: 1.4548958369595624 Energy: 1.8253517303638782 Energy: 1.45446121401831 Energy: 1.4471149317487926 Energy: 1.9864827786843087 Energy: 1.6924929053443714 Energy: 1.4548958369588356 Energy: 1.8253517303631512 Energy: 1.4544612140197635 Energy: 1.4471149317480656 Energy: 1.4548738876972602 Energy: 1.4961732093043028 Energy: 1.4050190286663689 Energy: 1.4465136164678463 Energy: 1.4549252464083946 Energy: 2.0220157426608374 Energy: 1.4548738876972602 Energy: 1.4961732093043028 Energy: 1.4050190286678224 Energy: 1.4465136164685735 Energy: 1.9865895542213026 Energy: 1.4471995568891562 Energy: 1.4544532410176059 Energy: 1.824337630057712 Energy: 1.4548615537636127 Energy: 1.5023807980027155 Energy: 1.9865895542213026 Energy: 1.4471995568884297 Energy: 1.4544532410190598 Energy: 1.8243376300584389 Energy: 1.452746156611136 Energy: 1.4510446184490646 Energy: 1.4964761404244318 Energy: 1.4015720754834113 Energy: 2.020492304821543 Energy: 1.404249216446766 Energy: 1.452746156611136 Energy: 1.4510446184483707 Energy: 1.4964761404237048 Energy: 1.4015720754819576 Energy: 1.4530973727270935 Energy: 1.4044174979394937 Energy: 2.0204925178821993 Energy: 1.4015501781928494 Energy: 1.4964179078440976 Energy: 1.45104127851497 Energy: 1.4530973727270935 Energy: 1.404417497936586 Energy: 2.0204925178814723 Energy: 1.401550178191396 Energy: 1.9864827786850359 Energy: 1.6924929053450983 Energy: 1.4548958369595624 Energy: 1.8253517303631512 Energy: 1.45446121401831 Energy: 1.4471149317480656 Energy: 1.9864827786850359 Energy: 1.6924929053443714 Energy: 1.4548958369581086 Energy: 2.0154395640635294 Energy: 1.4549252464069409 Energy: 2.0220157426608374 Energy: 1.4548738876965337 Energy: 1.4961732093050293 Energy: 1.4050190286663689 Energy: 1.4465136164700272 Energy: 1.4549252464083946 Energy: 2.0220157426608374 Energy: 1.4548738876972602 Energy: 1.639493362279276 Energy: 1.4548615537607053 Energy: 1.5023807979431447 Energy: 1.9865895542220293 Energy: 1.4471995568891562 Energy: 1.4544532410183328 Energy: 1.824337630057712 Energy: 1.4548615537592515 Energy: 1.502380798174192 Energy: 1.9865895542205756 Energy: 1.4471995568877356 Energy: 2.020492304821543 Energy: 1.4042492164395304 Energy: 1.452746156611136 Energy: 1.4510446184490646 Energy: 1.4964761404244318 Energy: 1.4015720754819576 Energy: 2.020492304821543 Energy: 1.4042492164366227 Energy: 1.452746156611136 Energy: 1.4510446184483707 Energy: 1.4964179078455513 Energy: 1.4510412785156968 Energy: 1.4530973727270935 Energy: 1.404417497936586 Energy: 2.0204925178821993 Energy: 1.4015501781921227 Energy: 1.4964179078448243 Energy: 1.45104127851497 Energy: 1.4530973727263667 Energy: 1.4044174979336785 Energy: 1.45446121401831 Energy: 1.4471149317487926 Energy: 1.9864827786850359 Energy: 1.6924929053443714 Energy: 1.4548958369595624 Energy: 1.8260434079167982 Energy: 1.454461214019037 Energy: 1.4471149317480656 Energy: 1.9864827786850359 Energy: 1.6924929053443714 Energy: 1.4050190286670954 Energy: 1.4465136164700272 Energy: 1.4549252464069409 Energy: 2.0220157426608374 Energy: 1.4548738876965337 Energy: 1.4961732093050293 Energy: 1.4050190286670954 Energy: 1.4465136164678463 Energy: 1.4549252464076678 Energy: 1.9860293737615542 Energy: 1.4544532410183328 Energy: 1.8243376300584389 Energy: 1.454861553761432 Energy: 1.502380798110227 Energy: 1.9865895542213026 Energy: 1.4471995568884297 Energy: 1.4544532410183328 Energy: 1.824337630057712 Energy: 1.4548615537628857 Energy: 1.6451124368505552 Energy: 1.4964761404229783 Energy: 1.4015720754812309 Energy: 2.020492304821543 Energy: 1.4042492164780216 Energy: 1.4527461566118627 Energy: 1.4510446184490646 Energy: 1.4964761404215243 Energy: 1.4015720754819576 Energy: 2.020492304821543 Energy: 1.4042492164337153 Energy: 2.0204925178814723 Energy: 1.4015501781935764 Energy: 1.49641790784119 Energy: 1.45104127851497 Energy: 1.4530973727270935 Energy: 1.4044174979351323 Energy: 2.0204925178814723 Energy: 1.4015501781921227 Energy: 1.496417907847005 Energy: 1.45104127851497 Energy: 1.4548958369588356 Energy: 1.8253517303631512 Energy: 1.4544612140154027 Energy: 1.4471149317480656 Energy: 1.9864827786850359 Energy: 1.6924929053450983 Energy: 1.4548958369588356 Energy: 2.1261834951936938 Energy: 1.4544612140146755 Energy: 1.4471149317487926 Energy: 1.4548738876972602 Energy: 1.4961732093035756 Energy: 1.4050190286663689 Energy: 1.4465136164678463 Energy: 1.4549252464069409 Energy: 1.6095351820981587 Energy: 1.4548738876965337 Energy: 1.4961732093050293 Energy: 1.4050190286663689 Energy: 1.4465136164693 Energy: 1.9865895542213026 Energy: 1.4471995568877356 Energy: 1.4544532410190598 Energy: 1.824337630057712 Energy: 1.4548615537636127 Energy: 1.5023807979351491 Energy: 1.9865895542205756 Energy: 1.4471995568884297 Energy: 1.4544532410161521 Energy: 1.824337630057712 minimum gb energy = 1.401550178191396 eV minimum distance = 2.29577143617525 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.9566428025369487 Energy: 1.6465345156213962 Energy: 1.7245135728110397 Energy: 1.7055246933913892 Energy: 1.765284739082999 Energy: 1.6680152654869556 Energy: 1.9566428025369487 Energy: 1.6465345156210667 Energy: 1.7245135728107102 Energy: 1.7055246933963317 Energy: 1.7472430691549703 Energy: 1.7664928690562107 Energy: 1.7212832588290126 Energy: 1.7316554539620173 Energy: 1.7018921791561845 Energy: 1.6719899958524955 Energy: 1.7472430691549703 Energy: 1.7664928690555515 Energy: 1.7212832588250588 Energy: 1.731655453964324 Energy: 1.8181240248396973 Energy: 1.6640059845746462 Energy: 1.9263777684654084 Energy: 1.7312215480546542 Energy: 1.7297010149139582 Energy: 1.8564028646271356 Energy: 1.8181240248413448 Energy: 1.6640059845782706 Energy: 1.9263777684700212 Energy: 1.7312215480539954 Energy: 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Energy: 1.7537203383180888 Energy: 1.8335050163032156 Energy: 1.6706078354071956 Energy: 1.8445520671878766 Energy: 1.7142783575900291 Energy: 1.7356140230896302 Energy: 1.7537203383180888 Energy: 1.7709257373000413 Energy: 1.7774440236262385 Energy: 1.782830453994459 Energy: 1.7179422553782124 Energy: 1.7944146222870563 Energy: 1.6697013244850294 Energy: 1.7709257373003708 Energy: 1.7774440236252502 Energy: 1.7828304539928115 Energy: 1.7179422553788712 Energy: 1.6303386136149003 Energy: 1.7504113668885726 Energy: 1.7220508330155717 Energy: 1.6842509951977167 Energy: 1.6995464523323947 Energy: 1.8399410702694265 Energy: 1.6303386136175362 Energy: 1.7504113668915384 Energy: 1.7220508330135946 Energy: 1.6842509951967282 Energy: 1.8986154870595722 Energy: 1.676139660650723 Energy: 1.7355327387252981 Energy: 1.9521939142739313 Energy: 1.6985818600524927 Energy: 1.82451697645785 Energy: 1.8986154870582543 Energy: 1.6761396606517116 Energy: 1.7355327387282637 Energy: 1.9521939142693185 Energy: 1.6502796493833725 Energy: 1.8320964927411074 Energy: 1.7394697443713538 Energy: 1.7253932076166725 Energy: 1.7665386784958648 Energy: 1.7335848259655346 Energy: 1.6502796493807366 Energy: 1.832096492742755 Energy: 1.7394697443670704 Energy: 1.7253932076156842 Energy: 1.6684692601594666 Energy: 1.7069319666954184 Energy: 1.9085613055479977 Energy: 1.7353864532335737 Energy: 1.6655873853486762 Energy: 1.9073167604601298 Energy: 1.6684692601578188 Energy: 1.706931966699702 Energy: 1.9085613055476682 Energy: 1.7353864532315966 Energy: 1.784753757987665 Energy: 1.7072786838190885 Energy: 1.7087935313882985 Energy: 1.6570234818225695 Energy: 1.722888256281567 Energy: 1.7189810960755858 Energy: 1.7847537579886532 Energy: 1.7072786838167822 Energy: 1.7087935313846738 Energy: 1.657023481821581 Energy: 1.6730413117412575 Energy: 1.8204141776997982 Energy: 1.7261852193992846 Energy: 1.7507093570094723 Energy: 1.8184621971321047 Energy: 1.756859710219122 Energy: 1.6730413117435639 Energy: 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1.6627526245546924 Energy: 1.8929901629154746 Energy: 1.7823803097198423 Energy: 1.735447151450704 Energy: 1.7198917316121738 Energy: 1.836688920884371 Energy: 1.6627526245593052 Energy: 1.8929901629115207 Energy: 1.782380309716218 Energy: 1.763492514155459 Energy: 1.7712684107331562 Energy: 1.6440708946591376 Energy: 1.7229472391434553 Energy: 1.6756308785242862 Energy: 1.7494370740582192 Energy: 1.7634925141544706 Energy: 1.7712684107315089 Energy: 1.6440708946617737 Energy: 1.7229472391404899 Energy: 1.7124639845305991 Energy: 1.8320667530082952 Energy: 1.6711488623841564 Energy: 1.7076926259892087 Energy: 1.7554072021608504 Energy: 1.890762363351413 Energy: 1.7124639845368597 Energy: 1.832066753007966 Energy: 1.6711488623854742 Energy: 1.7076926259882201 Energy: 1.7438117327092617 Energy: 1.7005313418592278 Energy: 1.7433319698489909 Energy: 1.8086426537498814 Energy: 1.7220034203665846 Energy: 1.7247593524886875 Energy: 1.7438117327086027 Energy: 1.700531341853626 Energy: 1.7433319698532743 Energy: 1.808642653748893 Energy: 1.9459347472352264 Energy: 1.7098781774118683 Energy: 1.7186357917186266 Energy: 1.7011811426771484 Energy: 1.9245845924557503 Energy: 1.7225727385177116 Energy: 1.9459347472365445 Energy: 1.709878177409562 Energy: 1.718635791717638 Energy: 1.7011811426735242 Energy: 1.7362937373224594 Energy: 1.7240497808400386 Energy: 1.7048694825672064 Energy: 1.6616846248677328 Energy: 1.8215895981016916 Energy: 1.7152625037185907 Energy: 1.7362937373211413 Energy: 1.7240497808393795 Energy: 1.7048694825658885 Energy: 1.6616846248687214 Energy: 1.7656556842949636 Energy: 1.6667575678561686 Energy: 1.707006994983766 Energy: 1.8892764367486674 Energy: 1.70430972784714 Energy: 1.886730018074986 Energy: 1.7656556842985878 Energy: 1.6667575678574866 Energy: 1.707006994979812 Energy: 1.8892764367545982 Energy: 1.6570133599692416 Energy: 1.7223718444523595 Energy: 1.662755442648084 Energy: 1.7038511966693963 Energy: 1.708706689708709 Energy: 1.7291298546461722 Energy: 1.6570133599636405 Energy: 1.722371844457302 Energy: 1.6627554426540145 Energy: 1.703851196666101 Energy: 1.7548848260647965 Energy: 1.787693308541077 Energy: 1.8216683524622943 Energy: 1.6325155107646718 Energy: 1.857165428765602 Energy: 1.6348574344525693 Energy: 1.7548848260585361 Energy: 1.7876933085437132 Energy: 1.8216683524626238 Energy: 1.6325155107636835 minimum gb energy = 1.61989337565803 eV minimum distance = 2.32748696953868 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.8195280880982607 Energy: 1.8565920158354081 Energy: 1.7068384612132856 Energy: 1.7190871411812707 Energy: 1.7063694033150314 Energy: 1.7348930023091442 Energy: 1.8195280881018623 Energy: 1.8565920158342082 Energy: 1.7068384612120853 Energy: 1.7190871411800703 Energy: 1.7231020179257777 Energy: 1.7475051980918122 Energy: 1.7287590342498718 Energy: 1.6858891497171453 Energy: 1.8280005686575505 Energy: 1.7346302402450047 Energy: 1.7231020179257777 Energy: 1.7475051980906116 Energy: 1.7287590342510721 Energy: 1.6858891497207464 Energy: 1.6488366487269686 Energy: 1.6865832698893786 Energy: 1.9946283407411636 Energy: 1.6699217381482638 Energy: 1.706997229431692 Energy: 1.791511405334993 Energy: 1.6488366487245676 Energy: 1.6865832698905792 Energy: 1.9946283407387628 Energy: 1.6699217381482638 Energy: 1.8841984530625921 Energy: 1.7126927921802906 Energy: 1.7088207665732218 Energy: 1.6924373951581089 Energy: 1.7254092073025011 Energy: 1.76390656806981 Energy: 1.8841984530637925 Energy: 1.7126927921802906 Energy: 1.7088207665720212 Energy: 1.6924373951569085 Energy: 1.6513578416919321 Energy: 1.7430489846781605 Energy: 1.7129397918549187 Energy: 1.7440522609197036 Energy: 1.7320062745111786 Energy: 1.6803361323835098 Energy: 1.6513578416919321 Energy: 1.7430489846793609 Energy: 1.7129397918549187 Energy: 1.7440522609197036 Energy: 1.6509445346045997 Energy: 1.880878634484473 Energy: 1.6975833345627624 Energy: 1.7375794991027431 Energy: 1.6518521153456402 Energy: 1.8030186435926905 Energy: 1.6509445346045997 Energy: 1.8808786344796713 Energy: 1.6975833345663636 Energy: 1.7375794991039435 Energy: 1.8886549617369028 Energy: 1.687520825968645 Energy: 1.7899565084072466 Energy: 1.7443068768376695 Energy: 1.7090338610218347 Energy: 1.686979424439788 Energy: 1.8886549617381032 Energy: 1.687520825968645 Energy: 1.7899565084060463 Energy: 1.7443068768400702 Energy: 1.6876835400206576 Energy: 1.76857312679348 Energy: 1.70711847966857 Energy: 1.6924280105402087 Energy: 1.7400717145681364 Energy: 1.7127196294023146 Energy: 1.6876835400206576 Energy: 1.7685731267958809 Energy: 1.7071184796721712 Energy: 1.6924280105390082 Energy: 1.761225732190102 Energy: 1.7310855430479084 Energy: 2.0043483382731018 Energy: 1.6730115251939608 Energy: 1.7063208027453534 Energy: 1.8275527244097256 Energy: 1.7612257321925027 Energy: 1.7310855430491088 Energy: 2.0043483382743026 Energy: 1.6730115251963615 Energy: 1.735568351912212 Energy: 1.7791101032161638 Energy: 1.7294457026310648 Energy: 1.7943122396196298 Energy: 1.7077005160642242 Energy: 1.8434489109039083 Energy: 1.735568351912212 Energy: 1.7791101032149637 Energy: 1.7294457026286638 Energy: 1.7943122396244318 Energy: 1.9461367153002358 Energy: 1.7639451411324234 Energy: 1.7263099545073972 Energy: 1.689033220958958 Energy: 1.7730129712129308 Energy: 1.686430441776719 Energy: 1.9461367152990356 Energy: 1.763945141128822 Energy: 1.7263099545121985 Energy: 1.6890332209601584 Energy: 1.79448722866023 Energy: 1.7732111419978522 Energy: 1.952457312844507 Energy: 1.6663455506208356 Energy: 1.8812045771765427 Energy: 1.7680584568628803 Energy: 1.7944872286590297 Energy: 1.7732111419966519 Energy: 1.952457312844507 Energy: 1.6663455506231817 Energy: 1.6710557770426857 Energy: 1.712198301628249 Energy: 1.7843929890244117 Energy: 1.6909400367939722 Energy: 1.728047259866838 Energy: 1.7626592026222514 Energy: 1.6710557770414851 Energy: 1.7121983016294493 Energy: 1.7843929890244117 Energy: 1.6909400367939722 Energy: 1.6957126812648762 Energy: 1.8014278561418071 Energy: 1.709826474618599 Energy: 1.8489565055102914 Energy: 1.6976413883392214 Energy: 1.6875011980486725 Energy: 1.6957126812648762 Energy: 1.8014278561442076 Energy: 1.7098264746161984 Energy: 1.848956505511492 minimum gb energy = 1.6488366487245676 eV minimum distance = 2.29399022713791 Angstroms sigma value = 33