Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.521391749382019 cohesive_energy=4.450349977866791 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.020522605419516945 Energy: 0.5149113993999974 Energy: 0.5149113993999974 Energy: 0.020522605419516945 Energy: 0.5149113993999974 Energy: 0.5149113993999974 Energy: 0.020522605419516945 Energy: 0.5149113993999974 Energy: 0.5149113993999974 Energy: 0.020522605419516945 Energy: 0.5120357767274131 Energy: 0.02407225155539413 Energy: 0.5124626590204963 Energy: 0.5120357767274131 Energy: 0.02407225155539413 Energy: 0.5124626590204963 Energy: 0.5120357767274131 Energy: 0.02407225155539413 Energy: 0.5124626590204963 Energy: 0.5120357767274131 Energy: 1.0700595385227836 Energy: 0.25061831946463103 Energy: 1.0560957272599407 Energy: 1.5644648405421653 Energy: 0.021006244047963262 Energy: 1.0560957272599407 Energy: 1.7863862608006902 Energy: 0.021006244047963262 Energy: 1.0560957272599407 Energy: 1.619626716476931 Energy: 0.5120357767274131 Energy: 0.5124626590204963 Energy: 0.02407225155539413 Energy: 0.5120357767274131 Energy: 0.5124626590204963 Energy: 0.02407225155539413 Energy: 0.5120357767274131 Energy: 0.5124626590204963 Energy: 0.02407225155539413 Energy: 0.5120357767274131 Energy: 0.020522605419516945 Energy: 0.5149113993999974 Energy: 0.5149113993999974 Energy: 0.020522605419516945 Energy: 0.5149113993999974 Energy: 0.5149113993999974 Energy: 0.020522605419516945 Energy: 0.5149113993999974 Energy: 0.5149113993999974 Energy: 0.020522605419516945 Energy: 0.5120357767274131 Energy: 0.02407225155539413 Energy: 0.5124626590204963 Energy: 0.5120357767274131 Energy: 0.02407225155539413 Energy: 0.512462659018973 Energy: 0.5120357767274131 Energy: 0.02407225155539413 Energy: 0.5124626590204963 Energy: 0.5120357767274131 Energy: 1.25483760821571 Energy: 0.021006244047963262 Energy: 1.122661716387848 Energy: 1.254832198861166 Energy: 0.021006244047963262 Energy: 1.122661716387848 Energy: 1.2547172056958127 Energy: 0.021006244049486644 Energy: 1.122661716387848 Energy: 1.2548377055958848 minimum gb energy = 0.020522605419516945 eV minimum distance = 2.28654772536883 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.4756639903576902 Energy: 1.6721350656909226 Energy: 1.672578579868056 Energy: 1.3883911645589204 Energy: 1.6721350656909226 Energy: 1.672578579868056 Energy: 1.4756639903576902 Energy: 1.6721350656834597 Energy: 1.6725785798643245 Energy: 1.3883911645589204 Energy: 1.4852660195249856 Energy: 1.417375178166007 Energy: 1.6460616715218286 Energy: 1.4852660194578862 Energy: 1.4173751781697388 Energy: 1.6460616715255603 Energy: 1.4852660196145415 Energy: 1.4173751781697388 Energy: 1.6460616715255603 Energy: 1.4852660195473746 Energy: 1.6135023395178127 Energy: 1.7762921052273009 Energy: 1.718896199414532 Energy: 1.5510073800036703 Energy: 1.7762921052235692 Energy: 1.7188961994182634 Energy: 1.6135023395178127 Energy: 1.7762921052235692 Energy: 1.718896199421995 Energy: 1.5510073799999387 Energy: 1.6702013468066323 Energy: 1.673031361117144 Energy: 1.3366981302718424 Energy: 1.6702013468029009 Energy: 1.673031361117144 Energy: 1.3366981302718424 Energy: 1.6702013468029009 Energy: 1.673031361117144 Energy: 1.3366981302718424 Energy: 1.6702013468066323 Energy: 1.276186241812215 Energy: 1.8125298158568317 Energy: 1.6219085952218468 Energy: 1.2761862418084835 Energy: 1.8126648543997825 Energy: 1.6220621230610202 Energy: 1.2761862418084835 Energy: 1.8125298158531 Energy: 1.6219085952255785 Energy: 1.2761862418084835 Energy: 1.7496509040117156 Energy: 1.3457040268635738 Energy: 1.6045808388383824 Energy: 1.7496509040079844 Energy: 1.3457040268635738 Energy: 1.6045808388383824 Energy: 1.7496509040117156 Energy: 1.3457040268635738 Energy: 1.6045808388383824 Energy: 1.7496509040117156 Energy: 1.6569059921169609 Energy: 1.3456833460759263 Energy: 1.7916595337414216 Energy: 1.6569059921169609 Energy: 1.3456833460759263 Energy: 1.7916595337414216 Energy: 1.6569059921206923 Energy: 1.345683346079658 Energy: 1.791659533745153 Energy: 1.6569059921206923 Energy: 1.6264133592095353 Energy: 1.6290434475624933 Energy: 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1.6449466270346653 Energy: 1.6716477494978144 Energy: 1.6722685887749367 Energy: 1.3349455568815702 Energy: 1.6716477494978144 Energy: 1.6722685887749367 Energy: 1.3349455568815702 Energy: 1.6716477494978144 Energy: 1.672268588771205 Energy: 1.3349455568815702 Energy: 1.6716477494978144 Energy: 1.3870723934960354 Energy: 1.8123623050843598 Energy: 1.4562595317387255 Energy: 1.387072393499767 Energy: 1.8119425457447527 Energy: 1.456259531734994 Energy: 1.387072393499767 Energy: 1.8123623050843598 Energy: 1.456259531734994 Energy: 1.3870723934960354 Energy: 1.599246962917051 Energy: 1.6917648720706913 Energy: 1.659528251478569 Energy: 1.5992469629133195 Energy: 1.6915326920391454 Energy: 1.6595282514748377 Energy: 1.5992469629207824 Energy: 1.6917648720706913 Energy: 1.659528251478569 Energy: 1.5992469629207824 Energy: 1.657891754156831 Energy: 1.3367831333487934 Energy: 1.6576095886467574 Energy: 1.6578917541530995 Energy: 1.3367831333487934 Energy: 1.6576095886467574 Energy: 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1.6555195610215503 Energy: 1.3366045243281597 Energy: 1.658613701694707 Energy: 1.6555195610178188 Energy: 1.3366045243281597 Energy: 1.6586137016909754 Energy: 1.6555195610178188 Energy: 1.3366045243281597 Energy: 1.6586137016984386 Energy: 1.6555195610215503 Energy: 1.4456619769612922 Energy: 1.7199406082315454 Energy: 1.5993304445151184 Energy: 1.445661976957561 Energy: 1.719940608235277 Energy: 1.5993304445113872 Energy: 1.4456619769612922 Energy: 1.719940608235277 Energy: 1.5993304445113872 Energy: 1.4456619769612922 Energy: 1.444563364912834 Energy: 1.6270968215545718 Energy: 1.4131211651489268 Energy: 1.444563364912834 Energy: 1.6270968215508403 Energy: 1.4166944135769577 Energy: 1.444563364912834 Energy: 1.6270968215508403 Energy: 1.413121165152658 Energy: 1.444563364912834 Energy: 1.4527761850243561 Energy: 1.6721350656909226 Energy: 1.672578579868056 Energy: 1.3948734663280313 Energy: 1.6721350656909226 Energy: 1.6725785798643245 Energy: 1.4527761850280876 Energy: 1.6721350656871912 Energy: 1.6725785798643245 Energy: 1.3948734663280313 Energy: 1.4852660195249856 Energy: 1.417375178166007 Energy: 1.6460616715255603 Energy: 1.4852660195249856 Energy: 1.417375178166007 Energy: 1.6460616715292917 Energy: 1.4852660194840068 Energy: 1.4173751781697388 Energy: 1.6460616715255603 Energy: 1.4852660195324483 Energy: 1.610746712765056 Energy: 1.7762921052235692 Energy: 1.718896199414532 Energy: 1.5957587779922462 Energy: 1.7762921052235692 Energy: 1.7188961994182634 Energy: 1.6107467127687876 Energy: 1.7762921052235692 Energy: 1.718896199421995 Energy: 1.5957587779922462 Energy: 1.6702013468066323 Energy: 1.673031361117144 Energy: 1.3366981302718424 Energy: 1.6702013468029009 Energy: 1.673031361117144 Energy: 1.3366981302718424 Energy: 1.6702013468066323 Energy: 1.6730313611208754 Energy: 1.3366981302718424 Energy: 1.6702013468103638 minimum gb energy = 1.2761862418084835 eV minimum distance = 2.21818552195531 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.6319223954441076 Energy: 1.3518702961246527 Energy: 1.3506081118649036 Energy: 1.540202077247752 Energy: 1.3518702961246527 Energy: 1.350608111863083 Energy: 1.6319223954422866 Energy: 1.3518702961264735 Energy: 1.3506081118649036 Energy: 1.540202077247752 Energy: 1.351630368083103 Energy: 1.614958430007154 Energy: 1.7224956666235174 Energy: 1.3516303680794612 Energy: 1.614958430008975 Energy: 1.7224956666216966 Energy: 1.3516303680812822 Energy: 1.614958430008975 Energy: 1.7224956666216966 Energy: 1.351630368083103 Energy: 1.6688905494323591 Energy: 1.5311118420942977 Energy: 1.339614042155842 Energy: 1.6518255882135529 Energy: 1.5311118420961183 Energy: 1.3396140421540208 Energy: 1.66889054943418 Energy: 1.5311118420961183 Energy: 1.339614042155842 Energy: 1.6518255882135529 Energy: 1.57127222465074 Energy: 1.5723068400665257 Energy: 1.3510627603795877 Energy: 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1.660491593929569 Energy: 1.6525831593866538 Energy: 1.5925606877076441 Energy: 1.660491593931623 Energy: 1.6525831593866538 Energy: 1.595423142530939 Energy: 1.6222079501139122 Energy: 1.6227147286235777 Energy: 1.5954231425329934 Energy: 1.622207950115966 Energy: 1.6227147286235777 Energy: 1.595423142530939 Energy: 1.622207950111858 Energy: 1.6227147286215238 Energy: 1.595423142530939 Energy: 1.5843819367785588 Energy: 1.6450694515851072 Energy: 1.6171343990213343 Energy: 1.584381936780613 Energy: 1.6386947242610428 Energy: 1.6171343990192804 Energy: 1.584381936782667 Energy: 1.6450694515830533 Energy: 1.6171343990192804 Energy: 1.584381936780613 Energy: 1.8850993101225229 Energy: 1.6445459858636848 Energy: 1.6777205314850063 Energy: 1.8850993101204683 Energy: 1.6445694649434948 Energy: 1.6777205314870232 Energy: 1.8850993101184146 Energy: 1.6445459858636848 Energy: 1.6777205314870232 Energy: 1.8850993101204683 Energy: 1.5024479841543397 Energy: 1.6246688130729972 Energy: 1.4975072416159516 Energy: 1.5024479841522855 Energy: 1.6246688130709428 Energy: 1.4975072416138973 Energy: 1.5024479841522855 Energy: 1.6246688130688887 Energy: 1.4975072416159516 Energy: 1.5024479841522855 Energy: 1.6709929833779218 Energy: 1.7643907188046266 Energy: 1.6151134903244682 Energy: 1.6709929833779218 Energy: 1.7638814548768706 Energy: 1.6151134903265223 Energy: 1.6709929833779218 Energy: 1.7643907188087347 Energy: 1.6151134903285767 Energy: 1.6709929833779218 Energy: 1.6627978452142438 Energy: 1.677819448798189 Energy: 1.676324864474804 Energy: 1.6627978452162977 Energy: 1.68305175921309 Energy: 1.67632486447275 Energy: 1.6627978452142438 Energy: 1.6778194488002431 Energy: 1.676324864476858 Energy: 1.6627978452142438 Energy: 1.6541547348863943 Energy: 1.5370277689675147 Energy: 1.654867849331786 Energy: 1.6541547348884487 Energy: 1.5370320042652217 Energy: 1.654867849331786 Energy: 1.6541547348905026 Energy: 1.5370277689675147 Energy: 1.654867849331786 Energy: 1.6541547348905026 minimum gb energy = 1.4597524496089795 eV minimum distance = 2.18168037093458 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.4817017079515267 Energy: 1.6050888796831193 Energy: 1.6032910371500182 Energy: 1.4258998998873393 Energy: 1.6050888796824139 Energy: 1.6032910371486078 Energy: 1.4817017079515267 Energy: 1.6050888796824139 Energy: 1.6032910371486078 Energy: 1.425899899886634 Energy: 1.6710483486229268 Energy: 1.4237803308641586 Energy: 1.6957258885337683 Energy: 1.6710483486222216 Energy: 1.4237803308648638 Energy: 1.6957258885365891 Energy: 1.6710483486208112 Energy: 1.423780330865569 Energy: 1.6957258885203697 Energy: 1.6710483486215164 Energy: 1.5433233412034637 Energy: 1.6215905508814086 Energy: 1.435345105569552 Energy: 1.5433233412020533 Energy: 1.6215905508807036 Energy: 1.435609492235763 Energy: 1.5433233412034637 Energy: 1.6215905508807036 Energy: 1.435345105569552 Energy: 1.5433233412020533 Energy: 1.7081790777914736 Energy: 1.7584308194628486 Energy: 1.4443368683660331 Energy: 1.7081790777907684 Energy: 1.7584308194635538 Energy: 1.4443368683667384 Energy: 1.7081790777907684 Energy: 1.7584308194621434 Energy: 1.4443368683639175 Energy: 1.708179077789358 Energy: 1.598233759295406 Energy: 1.6223409116654988 Energy: 1.537915118181121 Energy: 1.5982337592939955 Energy: 1.6223409116676144 Energy: 1.5379151181804158 Energy: 1.5982337592961111 Energy: 1.622340911666204 Energy: 1.5379151181790054 Energy: 1.5982337592947007 Energy: 1.4234227772938235 Energy: 1.7786406827808945 Energy: 1.7041179777682394 Energy: 1.4234227772945287 Energy: 1.778640682779484 Energy: 1.704117977770355 Energy: 1.4234227772945287 Energy: 1.7786406827808945 Energy: 1.7041179777696498 Energy: 1.4234227772938235 Energy: 1.605182787440555 Energy: 1.5964547709652614 Energy: 1.7654601041343192 Energy: 1.6051827874412603 Energy: 1.5964547709659667 Energy: 1.7654601041350244 Energy: 1.6051827874391447 Energy: 1.5964547709659667 Energy: 1.7654601041364346 Energy: 1.6051827874391447 Energy: 1.6824414967513177 Energy: 1.578310503481174 Energy: 1.5769169935722491 Energy: 1.6824414967513177 Energy: 1.578310503476943 Energy: 1.5769169935729543 Energy: 1.6824414967534334 Energy: 1.5783105034818792 Energy: 1.5769169935729543 Energy: 1.6824414967513177 Energy: 1.611236784692662 Energy: 1.731320811754339 Energy: 1.5960630212917069 Energy: 1.6112367846933673 Energy: 1.7313208117515184 Energy: 1.5959667384637692 Energy: 1.611236784692662 Energy: 1.7313208117522234 Energy: 1.5960630212917069 Energy: 1.6112367846933673 Energy: 1.5423192420497087 Energy: 1.7042683776152099 Energy: 1.7790047344304618 Energy: 1.4870409009785261 Energy: 1.7042683776166203 Energy: 1.7790047344290516 Energy: 1.542319242050414 Energy: 1.7042683776180307 Energy: 1.7790047344276412 Energy: 1.4870409009771157 Energy: 1.5572115238516717 Energy: 1.5364425711227077 Energy: 1.7345232250719176 Energy: 1.5350548466984415 Energy: 1.5364425711227077 Energy: 1.6382631077808867 Energy: 1.5572115238439146 Energy: 1.5364425711220027 Energy: 1.7345232250733278 Energy: 1.5350548466977365 Energy: 1.7020698323875825 Energy: 1.4446112620386846 Energy: 1.7030647236776353 Energy: 1.7020698323875825 Energy: 1.4446112620408 Energy: 1.70306472367693 Energy: 1.7020698323882877 Energy: 1.4446112620408 Energy: 1.7030647236776353 Energy: 1.7020698323868775 Energy: 1.5972325006220975 Energy: 1.4346784902014802 Energy: 1.6345892682300667 Energy: 1.597232500623508 Energy: 1.4346784902021854 Energy: 1.6345892682307719 Energy: 1.5972325006220975 Energy: 1.4346784902000698 Energy: 1.6345892682293612 Energy: 1.5972325006228028 Energy: 1.607770841191403 Energy: 1.6095777978268504 Energy: 1.4235943945814928 Energy: 1.6077708411906977 Energy: 1.6095777978261452 Energy: 1.423594394582198 Energy: 1.6077708411921081 Energy: 1.6095777978275556 Energy: 1.423594394582198 Energy: 1.607770841191403 Energy: 1.4258998998873393 Energy: 1.6050888796824139 Energy: 1.6032910371500182 Energy: 1.4258998998873393 Energy: 1.6050888796824139 Energy: 1.603291037149313 Energy: 1.4258998998873393 Energy: 1.6050888796824139 Energy: 1.6032910371479026 Energy: 1.4258998998873393 minimum gb energy = 1.4234227772938235 eV minimum distance = 2.28257633445516 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 1.4502734208752899 Energy: 1.4689350016112575 Energy: 1.4688679507885452 Energy: 1.450273420878026 Energy: 1.4689350016112575 Energy: 1.4688679507885452 Energy: 1.4502734208752899 Energy: 1.4689350016112575 Energy: 1.4688679507885452 Energy: 1.450273420878026 Energy: 1.3586048811359615 Energy: 1.2605390644223822 Energy: 1.5914433561858932 Energy: 1.3586048811332254 Energy: 1.2605390644223822 Energy: 1.5914433561831571 Energy: 1.3586048811359615 Energy: 1.2605390644223822 Energy: 1.5914433561858932 Energy: 1.3586048811332254 Energy: 1.41881349881234 Energy: 1.3501065850176004 Energy: 1.38798703802983 Energy: 1.4399714022553607 Energy: 1.3501065850176004 Energy: 1.3680235831769296 Energy: 1.4259359640399178 Energy: 1.3501065850176004 Energy: 1.3680235831769296 Energy: 1.439971402260833 Energy: 1.3201105779419882 Energy: 1.3154419993949265 Energy: 1.280911500884728 Energy: 1.3201105779419882 Energy: 1.3154419993921902 Energy: 1.2809115008819922 Energy: 1.3201105779392526 Energy: 1.3154419993949265 Energy: 1.280911500884728 Energy: 1.3201105779392526 Energy: 1.3402380917661147 Energy: 1.6235979828419285 Energy: 1.2826663036474537 Energy: 1.3402380917606425 Energy: 1.6235979828419285 Energy: 1.2826663036474537 Energy: 1.3402380917661147 Energy: 1.6235979828419285 Energy: 1.2826663036474537 Energy: 1.3402380917633785 Energy: 1.2620701537570762 Energy: 1.4669338581046094 Energy: 1.4653503663694867 Energy: 1.2620701537570762 Energy: 1.4669338581046094 Energy: 1.4653503663667509 Energy: 1.2620701537570762 Energy: 1.4669338581046094 Energy: 1.4653503663667509 Energy: 1.2620701537570762 Energy: 1.311988224920725 Energy: 1.4671739240752883 Energy: 1.4599878016604946 Energy: 1.3119882249179888 Energy: 1.4671739240752883 Energy: 1.4599878016632308 Energy: 1.3119882249179888 Energy: 1.4671739240752883 Energy: 1.4599878016604946 Energy: 1.3119882249179888 Energy: 1.3537694060453935 Energy: 1.3338596640999911 Energy: 1.4554860839506305 Energy: 1.3537694060426575 Energy: 1.3338596640999911 Energy: 1.4554860839533665 Energy: 1.3537694060453935 Energy: 1.3338596640999911 Energy: 1.4554860839506305 Energy: 1.3537694060453935 Energy: 1.4926366037365832 Energy: 1.6689941045991354 Energy: 1.449003825562339 Energy: 1.4926366037365832 Energy: 1.6689941045991354 Energy: 1.4490038255596027 Energy: 1.4926366037338474 Energy: 1.6689941046018715 Energy: 1.449003825562339 Energy: 1.4926366037365832 Energy: 1.2854092580129577 Energy: 1.4385339872460277 Energy: 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Energy: 1.471004551021274 Energy: 1.4597444012496035 Energy: 1.255139243034482 Energy: 1.471004551021274 Energy: 1.4597444012496035 Energy: 1.255139243034482 Energy: 1.471004551021274 Energy: 1.4597444012496035 Energy: 1.255139243034482 Energy: 1.471004551021274 Energy: 1.2561494526038919 Energy: 1.4628085338389472 Energy: 1.3111149488267397 Energy: 1.2561494526038919 Energy: 1.4628085338389472 Energy: 1.3111149488267397 Energy: 1.2561494526038919 Energy: 1.4628085338389472 Energy: 1.3111149488267397 Energy: 1.2561494526038919 Energy: 1.3522675927402343 Energy: 1.4336083903728936 Energy: 1.4617573590430162 Energy: 1.352267592737498 Energy: 1.4336083903756298 Energy: 1.4617573590457524 Energy: 1.3522675927402343 Energy: 1.4336083903728936 Energy: 1.4617573590457524 Energy: 1.352267592737498 Energy: 1.3485702316601471 Energy: 1.4433497282648484 Energy: 1.3392003364819927 Energy: 1.348570231657411 Energy: 1.4433497282621124 Energy: 1.3392003364847287 Energy: 1.3485702316601471 Energy: 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1.4582747624717394 Energy: 1.3559859972650095 Energy: 1.2541662623167291 Energy: 1.4582747624744756 Energy: 1.3559859972622734 Energy: 1.2541662623167291 Energy: 1.517222120555358 Energy: 1.2556809833287226 Energy: 1.4937303056363538 Energy: 1.517222120555358 Energy: 1.2556809833314586 Energy: 1.4937303056363538 Energy: 1.517222120555358 Energy: 1.2556809833287226 Energy: 1.4937303056363538 Energy: 1.5172221205580942 Energy: 1.255593272885578 Energy: 1.4953705179095618 Energy: 1.3593261098066705 Energy: 1.255593272885578 Energy: 1.4953705179095618 Energy: 1.3593261098094065 Energy: 1.255593272885578 Energy: 1.4953705179095618 Energy: 1.3593261098094065 Energy: 1.255593272885578 Energy: 1.2752282590853232 Energy: 1.2753690738231993 Energy: 1.281397757143476 Energy: 1.2752282590853232 Energy: 1.2753690738231993 Energy: 1.281397757146212 Energy: 1.2752282590853232 Energy: 1.275369073820463 Energy: 1.281397757143476 Energy: 1.2752282590853232 Energy: 1.3568906204617992 Energy: 1.6402266781281927 Energy: 1.2832487307400497 Energy: 1.3568906204617992 Energy: 1.6402266781281927 Energy: 1.2832487307373135 Energy: 1.3568906204617992 Energy: 1.6402266781281927 Energy: 1.2832487307373135 Energy: 1.3568906204645352 Energy: 1.459879643518751 Energy: 1.4697360940538882 Energy: 1.4934494129408868 Energy: 1.459879643518751 Energy: 1.4697360940538882 Energy: 1.4934494129244702 Energy: 1.459879643518751 Energy: 1.4697360940538882 Energy: 1.4934494129408868 Energy: 1.459879643518751 Energy: 1.3519552621335424 Energy: 1.457348774546816 Energy: 1.4239229980162846 Energy: 1.3519552621335424 Energy: 1.4573487745495524 Energy: 1.4239229980190207 Energy: 1.3519552621308064 Energy: 1.457348774546816 Energy: 1.4239229980162846 Energy: 1.3519552621335424 Energy: 1.4016533120897028 Energy: 1.5101777827975953 Energy: 1.2542249927217333 Energy: 1.4016533120897028 Energy: 1.5101777827975953 Energy: 1.254224992718997 Energy: 1.401653312086967 Energy: 1.5101777827975953 Energy: 1.254224992716261 Energy: 1.4016533120897028 Energy: 1.4661670207661346 Energy: 1.4637949043158553 Energy: 1.2554176455308557 Energy: 1.4661670207961817 Energy: 1.463794904430721 Energy: 1.2554176455281199 Energy: 1.4661670207688706 Energy: 1.4637949042611835 Energy: 1.2554176455308557 Energy: 1.4661670207770787 Energy: 1.2858411875891087 Energy: 1.6231510945952454 Energy: 1.3398985906459453 Energy: 1.2858411875891087 Energy: 1.6231510945979815 Energy: 1.3398985906459453 Energy: 1.285841187591845 Energy: 1.6231510945952454 Energy: 1.3398985906459453 Energy: 1.2858411875891087 Energy: 1.3549895447222597 Energy: 1.3168453429214941 Energy: 1.3201068937893419 Energy: 1.3549895447195237 Energy: 1.3168453429214941 Energy: 1.3201068937893419 Energy: 1.3549895447222597 Energy: 1.3168453429214941 Energy: 1.3201068937893419 Energy: 1.3549895447222597 Energy: 1.4048239960808548 Energy: 1.5125942638511771 Energy: 1.4002484868363692 Energy: 1.4048239960835909 Energy: 1.5125942638511771 Energy: 1.4002484868363692 Energy: 1.4048239960808548 Energy: 1.5125942638511771 Energy: 1.4002484868391052 Energy: 1.4048239960808548 Energy: 1.5897029211965865 Energy: 1.4600670807954983 Energy: 1.3600738981755975 Energy: 1.5897029211938503 Energy: 1.4600670807954983 Energy: 1.3600738981728615 Energy: 1.5897029211938503 Energy: 1.4600670807954983 Energy: 1.3600738981755975 Energy: 1.5897029211938503 Energy: 1.4712023511658978 Energy: 1.3443019608365994 Energy: 1.451355050738359 Energy: 1.471202351163162 Energy: 1.344302005666482 Energy: 1.451355050738359 Energy: 1.4712023511658978 Energy: 1.3443019550250217 Energy: 1.451355050738359 Energy: 1.471202351163162 Energy: 1.2560583768575317 Energy: 1.6232865571082795 Energy: 1.3738365263206422 Energy: 1.2560583768575317 Energy: 1.6232865571082795 Energy: 1.3738365263206422 Energy: 1.2560583768575317 Energy: 1.6232865571082795 Energy: 1.3738365263206422 Energy: 1.256058376854796 Energy: 1.2865893367028816 Energy: 1.2750782986740123 Energy: 1.274152167647364 Energy: 1.2865893367056176 Energy: 1.2750782986712763 Energy: 1.274152167647364 Energy: 1.2865893367056176 Energy: 1.2750782986712763 Energy: 1.274152167647364 Energy: 1.2865893367056176 Energy: 1.275642272956148 Energy: 1.2830777239249083 Energy: 1.3201221120339282 Energy: 1.2756422729588843 Energy: 1.2830777239276445 Energy: 1.320122112036664 Energy: 1.275642272956148 Energy: 1.2830777239249083 Energy: 1.3201221120339282 Energy: 1.2756422729534123 Energy: 1.6551063530101837 Energy: 1.2809758925019883 Energy: 1.3778402926839484 Energy: 1.6551063530101837 Energy: 1.2809758925019883 Energy: 1.3778402926839484 Energy: 1.6551063530101837 Energy: 1.2809758925019883 Energy: 1.3778402926839484 Energy: 1.6551063530101837 Energy: 1.466142496429207 Energy: 1.4225345450977853 Energy: 1.2581308694228686 Energy: 1.466142496429207 Energy: 1.4225345450977853 Energy: 1.2581308694256048 Energy: 1.466142496429207 Energy: 1.4225345450977853 Energy: 1.2581308694228686 Energy: 1.466142496429207 minimum gb energy = 1.2541662623167291 eV minimum distance = 2.21108392986894 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 1.1497102113501783 Energy: 0.6938467847639471 Energy: 0.6940619863776253 Energy: 0.8481708625708402 Energy: 0.6938467847619983 Energy: 0.6940619863795741 Energy: 1.1497102113517728 Energy: 0.6938467847619983 Energy: 0.6940619863782749 Energy: 0.8481708625708402 Energy: 1.0320940913800032 Energy: 0.6821166815029763 Energy: 0.9138598090541568 Energy: 0.9660039349341376 Energy: 0.6821166815039211 Energy: 1.025992216795275 Energy: 1.0320940913806527 Energy: 0.6821166815029763 Energy: 0.9138598090525625 Energy: 0.9660039349347871 Energy: 0.8429206508543218 Energy: 0.7244196597661732 Energy: 0.9140829369213309 Energy: 0.9434687369251161 Energy: 0.7244196597681218 Energy: 0.845052110394743 Energy: 0.8429206508562704 Energy: 0.7244196597671181 Energy: 0.9140829369232796 Energy: 0.9434687369251161 Energy: 1.0964669218322725 Energy: 0.6947065412279101 Energy: 0.9113340563084241 Energy: 1.0964669218319771 Energy: 0.6947065412285597 Energy: 0.9148781164408011 Energy: 1.0964669218303236 Energy: 0.6947065412269062 Energy: 0.9113340563074793 Energy: 1.0964669218322725 Energy: 0.6943173391877254 Energy: 0.7241751276833677 Energy: 0.7921563121499618 Energy: 0.6943173391896741 Energy: 0.7241751276837218 Energy: 0.7904406241446825 Energy: 0.6943173391912684 Energy: 0.7241751276814189 Energy: 0.7921563121480131 Energy: 0.6943173391903237 Energy: 1.0193000595449535 Energy: 1.0106148555543972 Energy: 0.9589315330582944 Energy: 1.0193000595436543 Energy: 1.1286450128289665 Energy: 0.924794008052487 Energy: 1.0193000595456032 Energy: 1.0106148555530983 Energy: 0.9589315330579402 Energy: 1.0193000595449535 Energy: 0.6941243327147003 Energy: 0.9089572260349926 Energy: 1.1164634477126631 Energy: 0.6941243327163538 Energy: 0.9481202628777052 Energy: 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0.6941243327176528 Energy: 0.9110971146353477 Energy: 1.1164634477120137 Energy: 0.6941243327170034 Energy: 1.016182498306942 Energy: 0.7903643021063521 Energy: 0.7244854133466334 Energy: 1.0161824983072374 Energy: 0.7921469197517697 Energy: 0.7244854133466334 Energy: 1.016182498306942 Energy: 0.7903643021076513 Energy: 0.7244854133482869 Energy: 1.0161824983059382 Energy: 0.895782482716174 Energy: 0.9262605095068183 Energy: 0.6941389496081091 Energy: 0.869879294049708 Energy: 0.9249590018238124 Energy: 0.6941389496094081 Energy: 0.8957824827158787 Energy: 0.9262605095048696 Energy: 0.6941389496064556 Energy: 0.8698792940477592 Energy: 0.8428283343880131 Energy: 0.8470277796423797 Energy: 0.6822386451776501 Energy: 0.943461040987548 Energy: 0.9138059807229122 Energy: 0.6822386451776501 Energy: 0.8428283343860644 Energy: 0.8470277796427341 Energy: 0.6822386451801894 Energy: 0.943461040985245 Energy: 1.0316650744152909 Energy: 1.116425338379983 Energy: 0.7244662210704628 Energy: 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1.0964669218319771 Energy: 0.6947065412269062 Energy: 0.911334056309428 Energy: 1.0964669218316228 Energy: 0.6947065412279101 Energy: 0.9148781164418048 Energy: 1.096466921830678 Energy: 0.6947065412272605 Energy: 0.9113340563077745 Energy: 1.0964669218326266 Energy: 0.6943173391890245 Energy: 0.7241751276824228 Energy: 0.7921563121506114 Energy: 0.6943173391903237 Energy: 0.724175127682718 Energy: 0.7904406241446825 Energy: 0.6943173391906188 Energy: 0.7241751276807693 Energy: 0.7921563121480131 Energy: 0.6943173391903237 Energy: 1.0193000595436543 Energy: 1.0106148555543972 Energy: 0.9589315330569954 Energy: 1.0193000595430048 Energy: 1.1286450128293213 Energy: 0.9247940080521918 Energy: 1.0193000595456032 Energy: 1.0106148555547516 Energy: 0.9589315330582944 Energy: 1.019300059545308 Energy: 0.6941243327153499 Energy: 0.9089572260346385 Energy: 1.1164634477120137 Energy: 0.6941243327183024 Energy: 0.9481202628786503 Energy: 1.1164634477143167 Energy: 0.6941243327179483 Energy: 0.9089572260388902 Energy: 1.1164634477126631 Energy: 0.6941243327157042 Energy: 1.0161824983062924 Energy: 0.899307881821902 Energy: 0.7244854133466334 Energy: 1.016182498307887 Energy: 0.90051844610582 Energy: 0.7244854133466334 Energy: 1.0161824983085366 Energy: 0.8993078818186542 Energy: 0.7244854133511803 Energy: 1.016182498305643 Energy: 0.7679939588930099 Energy: 0.9559085274432746 Energy: 0.6941389496081091 Energy: 0.9660075252417472 Energy: 0.8880312512185521 Energy: 0.6941389496113569 Energy: 0.7679939588910613 Energy: 0.9559085274416211 Energy: 0.6941389496071052 Energy: 0.9660075252408025 Energy: 0.8459838563356021 Energy: 0.8406915916024642 Energy: 0.682238645178595 Energy: 0.7439037314649164 Energy: 0.7452036241231879 Energy: 0.6822386451779455 Energy: 0.8459838563349527 Energy: 0.8406915916015194 Energy: 0.6822386451795398 Energy: 0.7439037314629675 Energy: 0.8961771278239339 Energy: 1.116425338378979 Energy: 0.7244662210701084 Energy: 0.8993009738235641 Energy: 1.116425338378979 Energy: 0.7244662210704628 Energy: 0.8961771278232843 Energy: 1.116425338381282 Energy: 0.7244662210685141 Energy: 0.8993009738248633 minimum gb energy = 0.6396575320092289 eV minimum distance = 2.34852050063411 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.2443228814935987 Energy: 1.3581619192592438 Energy: 1.3581662183029195 Energy: 1.1955918239198582 Energy: 1.3581619192610268 Energy: 1.3581662183011365 Energy: 1.2443228814971647 Energy: 1.3581619192610268 Energy: 1.3581662182993535 Energy: 1.1955918239198582 Energy: 1.3784377460447854 Energy: 1.2075565544649505 Energy: 1.3156000427724925 Energy: 1.3784377460430024 Energy: 1.2075565544685165 Energy: 1.3156000427742751 Energy: 1.3784377460412194 Energy: 1.2075565544685165 Energy: 1.3156000427742751 Energy: 1.3784377460430024 Energy: 1.2762746694996712 Energy: 1.1374320760618417 Energy: 1.2366113521834443 Energy: 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Energy: 1.3223630077821813 Energy: 1.3719324124297834 Energy: 1.3262543401266274 Energy: 1.3223630077803985 Energy: 1.3719324124315664 Energy: 1.3262543401266274 Energy: 1.3223630077803985 Energy: 1.3719324124333494 Energy: 1.3262543401266274 Energy: 1.3223630077803985 Energy: 1.1845987682647896 Energy: 1.277298596068564 Energy: 1.3575736775400224 Energy: 1.1845987682665724 Energy: 1.2772985960703471 Energy: 1.3575736775400224 Energy: 1.1845987682683554 Energy: 1.2772985960721301 Energy: 1.3575736775400224 Energy: 1.1845987682683554 minimum gb energy = 1.137432076060059 eV minimum distance = 2.21515653865143 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.4003996902753468 Energy: 1.709200780580338 Energy: 1.709160628795159 Energy: 1.4003996902741669 Energy: 1.709200780580338 Energy: 1.709160628795159 Energy: 1.4003996902753468 Energy: 1.709200780580338 Energy: 1.709160628795159 Energy: 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Energy: 1.6002382747761001 Energy: 1.6354911813176636 Energy: 1.6294884224408326 Energy: 1.6002382747761001 Energy: 1.6354911813176636 Energy: 1.6294884224408326 Energy: 1.6002382747761001 Energy: 1.6354911813149982 Energy: 1.629488422438167 Energy: 1.7059844833181743 Energy: 1.575692933364644 Energy: 1.5753885505492904 Energy: 1.7059844833181743 Energy: 1.575692933364644 Energy: 1.5753885505492904 Energy: 1.7059844833181743 Energy: 1.5756929333673095 Energy: 1.5753885505519556 Energy: 1.705984483315509 Energy: 1.63437125006057 Energy: 1.6611780103454703 Energy: 1.6141335187988155 Energy: 1.6343712500579046 Energy: 1.6611780103481355 Energy: 1.6141335188014811 Energy: 1.63437125006057 Energy: 1.6611780103454703 Energy: 1.6141335188068118 Energy: 1.6343712500632352 Energy: 1.5708870264600883 Energy: 1.6638150593516317 Energy: 1.7085981828832202 Energy: 1.570887026462754 Energy: 1.6638150593516317 Energy: 1.7085981828832202 Energy: 1.5708870264547576 Energy: 1.6638150593516317 Energy: 1.7085981828805548 Energy: 1.5708870264547576 Energy: 1.7863651371843814 Energy: 1.6538796007920398 Energy: 1.598636074214151 Energy: 1.7863651371870466 Energy: 1.6538796007920398 Energy: 1.5985146569044546 Energy: 1.7863651371870466 Energy: 1.6538796007920398 Energy: 1.598636074214151 Energy: 1.7863651371870466 Energy: 1.6800696344650183 Energy: 1.8840336898973589 Energy: 1.6060572244850455 Energy: 1.6800696344676351 Energy: 1.8840336898973589 Energy: 1.6060572244850455 Energy: 1.6800696344650183 Energy: 1.8840336899000245 Energy: 1.6060572244850455 Energy: 1.6800696344650183 minimum gb energy = 1.570887026452092 eV minimum distance = 2.20762705676669 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.4839682087404236 Energy: 1.4845941507310711 Energy: 1.4845672879112095 Energy: 1.4839682087399417 Energy: 1.4845941507320346 Energy: 1.484567287910246 Energy: 1.4839682087404236 Energy: 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Energy: 1.579972903013547 Energy: 1.7118759734042728 Energy: 1.5798869431175022 Energy: 1.580885405835017 Energy: 1.7118759734064566 Energy: 1.559499541303517 Energy: 1.5594814893524698 Energy: 1.7118759734064566 Energy: 1.5798869431153184 Energy: 1.5808854058306498 Energy: 1.7118759734042728 Energy: 1.7814545145329412 Energy: 1.5568648839712442 Energy: 1.8613427388510884 Energy: 1.7814545145329412 Energy: 1.5568648839669164 Energy: 1.8613427388510884 Energy: 1.7814545145350853 Energy: 1.5568648839691002 Energy: 1.8613427388532724 Energy: 1.7814545145329412 Energy: 1.5822927472721564 Energy: 1.97404584214796 Energy: 1.5816132598108634 Energy: 1.58229274727434 Energy: 1.97404584214796 Energy: 1.5816132598108634 Energy: 1.58229274727434 Energy: 1.9740458421457763 Energy: 1.581613259806496 Energy: 1.58229274727434 Energy: 1.615466806852076 Energy: 1.5443711898880108 Energy: 1.8399817680923507 Energy: 1.6154668068498925 Energy: 1.5443645725908741 Energy: 1.8399817680923507 Energy: 1.61546680685426 Energy: 1.544371189885827 Energy: 1.8399817680945343 Energy: 1.615466806852076 Energy: 1.5916035238272208 Energy: 1.5546771140085598 Energy: 1.7117478706219333 Energy: 1.5916035238228534 Energy: 1.5546771140107432 Energy: 1.7117478706284843 Energy: 1.5916035238294046 Energy: 1.5546771140085598 Energy: 1.7117478706241172 Energy: 1.591603523811935 Energy: 1.6623061648669382 Energy: 1.6317590038721776 Energy: 1.5622212003333615 Energy: 1.6623061648691222 Energy: 1.631759003869994 Energy: 1.562219733388502 Energy: 1.6623061648669382 Energy: 1.631759003869994 Energy: 1.5622212003333615 Energy: 1.6623061648691222 Energy: 1.56542277141597 Energy: 1.6956536244824358 Energy: 1.6922521005291051 Energy: 1.56542277141597 Energy: 1.6956536244802523 Energy: 1.6922521005269215 Energy: 1.5654227714137865 Energy: 1.6956536244802523 Energy: 1.6922521005291051 Energy: 1.5654227714137865 Energy: 1.5570448523990326 Energy: 1.6966153114978444 Energy: 1.763797706795993 Energy: 1.5570448523990326 Energy: 1.6966153115327836 Energy: 1.7637977067981767 Energy: 1.5570448523968488 Energy: 1.6966153115764182 Energy: 1.763797706795993 Energy: 1.5570448524012162 minimum gb energy = 1.5389092782938925 eV minimum distance = 2.21669144901204 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.5310703035648563 Energy: 1.5296715265849903 Energy: 1.5294758812647864 Energy: 1.5310703035648563 Energy: 1.5296715265857859 Energy: 1.5294758812647864 Energy: 1.5310703035648563 Energy: 1.5296715265849903 Energy: 1.5294758812647864 Energy: 1.5310703035648563 Energy: 1.6875251793866024 Energy: 1.5010588567139183 Energy: 1.718902479436739 Energy: 1.6875251793873978 Energy: 1.5010588567139183 Energy: 1.718902479436739 Energy: 1.6875251793643267 Energy: 1.5010588567139183 Energy: 1.718902479436739 Energy: 1.6875251793691 Energy: 1.690496858029919 Energy: 1.4858311281376277 Energy: 1.8559184011492422 Energy: 1.6601259246738733 Energy: 1.485831128139219 Energy: 1.8559127527076065 Energy: 1.690496858029919 Energy: 1.4858311281376277 Energy: 1.8559048419083055 Energy: 1.6601259246738733 Energy: 1.6185688502011022 Energy: 1.7628206106095141 Energy: 1.6243875286974232 Energy: 1.618568850203489 Energy: 1.7628206106071271 Energy: 1.6243875287101524 Energy: 1.6185688502026934 Energy: 1.7628206106103097 Energy: 1.6243875287029923 Energy: 1.6185688502018978 Energy: 1.6810085198937006 Energy: 1.5356398807112002 Energy: 1.870965856301182 Energy: 1.681008519892905 Energy: 1.5356398807119955 Energy: 1.8709658562621994 Energy: 1.681008519892905 Energy: 1.5356398807112002 Energy: 1.8709658561270264 Energy: 1.681008519892905 Energy: 1.7006704884288852 Energy: 1.7244401520684882 Energy: 1.5016611132540905 Energy: 1.7006704884288852 Energy: 1.7244401520700792 Energy: 1.5016611132548863 Energy: 1.7006704884288852 Energy: 1.7244401520692836 Energy: 1.5016611132540905 Energy: 1.7006704884288852 Energy: 1.6228307143611782 Energy: 1.561396492295315 Energy: 1.4857939421487183 Energy: 1.6228307143603826 Energy: 1.5613964922945196 Energy: 1.4857939421487183 Energy: 1.6228307143603826 Energy: 1.561396492295315 Energy: 1.4857939421479227 Energy: 1.6228307143603826 Energy: 1.6171975390970688 Energy: 1.7760168750484073 Energy: 1.6168348805584662 Energy: 1.6171975390970688 Energy: 1.7760168750468162 Energy: 1.6168348805584662 Energy: 1.6171975390978641 Energy: 1.7760168750484073 Energy: 1.6168348805584662 Energy: 1.6171975390970688 Energy: 1.8989944714046487 Energy: 1.718589103419475 Energy: 1.5339517648251657 Energy: 1.89899447140624 Energy: 1.7185891034186793 Energy: 1.533951764825961 Energy: 1.8989944714046487 Energy: 1.718589103419475 Energy: 1.5339517648251657 Energy: 1.8989944714054443 Energy: 1.619091638273909 Energy: 1.6814295162407156 Energy: 1.7318743455909023 Energy: 1.6190916382731135 Energy: 1.681429516238329 Energy: 1.7318743455940846 Energy: 1.619091638273909 Energy: 1.6814295162391244 Energy: 1.7318743455932888 Energy: 1.6190916382731135 Energy: 1.6069376051338427 Energy: 1.4999919932399464 Energy: 1.5858657999353767 Energy: 1.6069376051362296 Energy: 1.499991993239151 Energy: 1.5858657999361725 Energy: 1.6069376051346382 Energy: 1.499991993239151 Energy: 1.5858657999353767 Energy: 1.6069376051362296 Energy: 1.6809649805813036 Energy: 1.5068807417467833 Energy: 1.6875649354681999 Energy: 1.6809649805781215 Energy: 1.5068807417459877 Energy: 1.6875649354674045 Energy: 1.6809649805805083 Energy: 1.5068807417467833 Energy: 1.687564935466609 Energy: 1.6809649805781215 Energy: 1.4988432678641592 Energy: 1.6290253617332495 Energy: 1.4991232535762307 Energy: 1.498843267864955 Energy: 1.629025361734045 Energy: 1.4991232535770262 Energy: 1.498843267864955 Energy: 1.629025361732454 Energy: 1.4991232535762307 Energy: 1.4988432678657506 Energy: 1.5223839053574755 Energy: 1.5889908758026374 Energy: 1.6202025089146923 Energy: 1.52238390535668 Energy: 1.5889908758034328 Energy: 1.620202508915488 Energy: 1.5223839053574755 Energy: 1.5889908758026374 Energy: 1.6202025089162835 Energy: 1.5223839053574755 minimum gb energy = 1.4857939421479227 eV minimum distance = 2.22417210802216 Angstroms sigma value = 33