Model name: model_name=MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.619999974966049 cohesive_energy=3.54027840938842 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.013651142175254666 Energy: 1.4725442008577427 Energy: 0.013771500322901534 Energy: 1.4725442008577427 Energy: 1.4725442008577427 Energy: 0.608642399963367 Energy: 1.4725442008577427 Energy: 0.608642399963367 Energy: 1.9900360821922773 Energy: 1.4725442008577427 Energy: 0.013651142175254666 Energy: 1.4725442008577427 Energy: 1.4725442008577427 Energy: 0.608642399963367 Energy: 1.4725442008577427 Energy: 0.608642399963367 minimum gb energy = 0.013651142175254666 eV minimum distance = 2.43753545522794 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.6233976489872952 Energy: 1.7873754814476444 Energy: 1.0647938582392844 Energy: 1.787375481446886 Energy: 1.7386749065499192 Energy: 1.2738289968879966 Energy: 1.4891389811633209 Energy: 1.2738289968879966 Energy: 1.196228029897059 Energy: 1.7150932207304235 Energy: 1.5677879564063053 Energy: 1.7150932207304235 Energy: 1.3039274848336135 Energy: 1.5372065205407128 Energy: 1.5299714075415487 Energy: 1.5372065205407128 Energy: 1.3423369898414543 Energy: 1.5629322056439288 Energy: 1.6944235780128656 Energy: 1.5629322056439288 Energy: 1.4656316986171776 Energy: 1.6275908783886006 Energy: 1.4859624751586515 Energy: 1.6275908783886006 Energy: 1.8723798536495073 Energy: 1.4866252256527492 Energy: 1.7579799588013743 Energy: 1.4866252256527492 Energy: 1.2525615525935403 Energy: 1.8963663218521702 Energy: 1.1750668849705046 Energy: 1.8963663218521702 Energy: 1.6087285421853448 Energy: 1.4261971196678187 Energy: 1.599051826957827 Energy: 1.4261971196685772 Energy: 1.360296622717898 Energy: 1.7320183428278697 Energy: 1.205241828368103 Energy: 1.7320183428278697 Energy: 1.6643654832017842 Energy: 1.3751473052306442 Energy: 1.7977138751893091 Energy: 1.3751473052298857 Energy: 1.302963357364534 Energy: 1.713767789175684 Energy: 1.3261237512126127 Energy: 1.713767789175684 Energy: 1.6664539327906507 Energy: 1.421361475318967 Energy: 1.5677391668685943 Energy: 1.421361475319726 Energy: 1.4610740546516585 Energy: 1.5489240705292715 Energy: 1.4215666840030508 Energy: 1.5489240705201683 Energy: 1.63279741927653 Energy: 1.4329069785340156 Energy: 1.6223873471991113 Energy: 1.4329069785347743 Energy: 1.5004005974518528 Energy: 1.388133752417212 Energy: 1.5698040855126643 Energy: 1.3881337524088675 Energy: 1.4246960265154398 Energy: 1.6501945684541537 Energy: 1.2908772511962803 Energy: 1.6501945684541537 Energy: 1.6876191193218057 Energy: 1.2265441374018486 Energy: 1.5137515564557382 Energy: 1.2265441374018486 Energy: 1.2176636427532714 Energy: 1.8137651616583075 Energy: 1.3542373121197455 Energy: 1.8137651616575488 Energy: 1.5901432183222861 Energy: 1.4501359501393876 Energy: 1.7598950524738233 Energy: 1.4501359501393876 Energy: 1.3000306966480524 Energy: 1.7137092638936513 Energy: 1.2335798690823245 Energy: 1.7137092638928926 Energy: 1.6150557641939502 Energy: 1.5386174276928413 Energy: 1.4493914358731825 Energy: 1.5386174277292186 Energy: 1.67230521116061 Energy: 1.6704715930987213 Energy: 1.3743185869310275 Energy: 1.6704715930979628 Energy: 1.4949641361185693 Energy: 1.4499780773719602 Energy: 1.6951889535107956 Energy: 1.4499780773719602 Energy: 1.461596116195258 Energy: 1.5238346996929644 Energy: 1.6869046351023704 Energy: 1.5238346996922059 Energy: 1.3312923336761378 Energy: 1.6560569120152742 Energy: 1.5101007217599245 Energy: 1.6560569120160324 Energy: 1.4940167255864354 Energy: 1.3158100630829426 Energy: 1.5217494036798236 Energy: 1.3158100630814253 Energy: 1.2177413535555182 Energy: 1.6818685209359088 Energy: 1.5291752900877622 Energy: 1.681868520937426 Energy: 1.7357889513190976 Energy: 1.2145362762894656 Energy: 1.4885215238744438 Energy: 1.2145362762894656 Energy: 1.7509073689175187 Energy: 1.7336171796991373 Energy: 1.1323008315109808 Energy: 1.7336171796983786 Energy: 1.8133389914306386 Energy: 1.2666344937816056 Energy: 1.6065056377751425 Energy: 1.266634493782364 Energy: 1.4971263153880032 Energy: 1.5885546612724835 Energy: 1.5922451032632328 Energy: 1.5885546612740005 Energy: 1.3007538641700054 Energy: 1.561460204227226 Energy: 1.537001646741525 Energy: 1.5614602042279846 minimum gb energy = 1.0647938582392844 eV minimum distance = 2.32510239924557 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 1.5838505823369087 Energy: 1.79059428997771 Energy: 1.157767831384582 Energy: 1.7905942899785752 Energy: 1.5584936332684878 Energy: 1.3152690444395498 Energy: 1.4362288804004775 Energy: 1.3152690444412798 Energy: 1.1552159136116764 Energy: 1.7364330998847777 Energy: 1.6800417465258957 Energy: 1.7364330998847777 Energy: 1.4245014621594847 Energy: 1.514169741744476 Energy: 1.5543769543439574 Energy: 1.514169741744476 Energy: 1.4417754082194012 Energy: 1.4898858953238665 Energy: 1.530494835572227 Energy: 1.4898858953238665 Energy: 1.4384144758826858 Energy: 1.6169508262133756 Energy: 1.3686327863465035 Energy: 1.6169508262133756 Energy: 1.6617433256102525 Energy: 1.5069124827812372 Energy: 1.680196954881669 Energy: 1.5069124827829672 Energy: 1.2482458022261165 Energy: 1.8614649844214184 Energy: 1.3599349150364155 Energy: 1.861464984422283 Energy: 1.7239341982753487 Energy: 1.526660238796707 Energy: 1.5751336373814482 Energy: 1.526660238797572 Energy: 1.2770584349902987 Energy: 1.84194602027052 Energy: 1.2402716984161544 Energy: 1.84194602027052 Energy: 1.6274961414561773 Energy: 1.3540281962931995 Energy: 1.6820244714507226 Energy: 1.3540281962949297 Energy: 1.3091074750452025 Energy: 1.6253153849271695 Energy: 1.4936101659350933 Energy: 1.6253153849280344 Energy: 1.624198454991588 Energy: 1.389858325474203 Energy: 1.527169160586966 Energy: 1.3898583254776624 Energy: 1.6230659281479676 Energy: 1.3893347421000364 Energy: 1.5314782122274249 Energy: 1.3893347420974416 Energy: 1.2972269799322078 Energy: 1.6205170168413419 Energy: 1.3998178851169125 Energy: 1.6205170168448015 Energy: 1.6419177478105844 Energy: 1.3543195146793396 Energy: 1.6826087389779936 Energy: 1.3543195146810694 Energy: 1.2719343250268191 Energy: 1.8361600207356075 Energy: 1.1975857793325997 Energy: 1.836160020736472 Energy: 1.6113003263578118 Energy: 1.4465382680068462 Energy: 1.5841638550266928 Energy: 1.4465382680042513 Energy: 1.2004811496206786 Energy: 1.8622072044687752 Energy: 1.4348277243901941 Energy: 1.862207204470505 Energy: 1.6582090298440377 Energy: 1.519272677479648 Energy: 1.852981023164232 Energy: 1.519272677478783 Energy: 1.4376299768885636 Energy: 1.5537119599799176 Energy: 1.4221630306341848 Energy: 1.5537119599790525 Energy: 1.4117650594125963 Energy: 1.4915438818911817 Energy: 1.4284402740332864 Energy: 1.4915438818920466 Energy: 1.4320542380452423 Energy: 1.5016376249268464 Energy: 1.4634444736532162 Energy: 1.5016376249277112 Energy: 1.2701027498552981 Energy: 1.7348220767951357 Energy: 1.5309167545274724 Energy: 1.7348220767977303 Energy: 1.5636206209853134 Energy: 1.2920117889155496 Energy: 1.4534439071272127 Energy: 1.2920117889155496 Energy: 1.5838505823446927 Energy: 1.79059428997771 Energy: 1.1875685063275594 Energy: 1.7905942899785752 Energy: 1.5584936332719477 Energy: 1.3152690444412798 Energy: 1.4362288803996126 Energy: 1.315269044438685 Energy: 1.1552159142687344 Energy: 1.736433099883048 Energy: 1.6800417465258957 Energy: 1.736433099883048 Energy: 1.42450146215689 Energy: 1.514169741744476 Energy: 1.5543769543439574 Energy: 1.514169741744476 minimum gb energy = 1.1552159136116764 eV minimum distance = 2.32546251496288 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 1.7362669193453453 Energy: 1.7852137802792818 Energy: 1.2712404279503309 Energy: 1.7852137802792818 Energy: 1.7163329753259011 Energy: 1.3231116372189158 Energy: 1.2992876000898652 Energy: 1.3231116372199214 Energy: 1.361731657737687 Energy: 1.7940605711454685 Energy: 1.4761857676757553 Energy: 1.7940605711454685 Energy: 1.2312846392036159 Energy: 1.6176928980237253 Energy: 1.6148659071233167 Energy: 1.6176928980237253 Energy: 1.6691303889597555 Energy: 1.5977774853064235 Energy: 1.6967942613336282 Energy: 1.597777485305418 Energy: 1.6209761517959271 Energy: 2.1057097796451463 Energy: 1.5138595176237144 Energy: 2.1057097796461517 Energy: 1.7786746519668462 Energy: 1.5953080805070348 Energy: 1.9847560123687358 Energy: 1.5953080805070348 Energy: 1.3674873099797062 Energy: 1.72922110195665 Energy: 1.5754855074804694 Energy: 1.7292211019536334 Energy: 1.875107761004454 Energy: 1.4079578241579727 Energy: 1.4857536128568323 Energy: 1.4079578241579727 Energy: 1.4048693876782212 Energy: 1.7891291076571647 Energy: 1.454336715573033 Energy: 1.7891291076571647 Energy: 1.602623363325998 Energy: 1.386759036916698 Energy: 1.591319171949579 Energy: 1.386759036916698 Energy: 1.598190696684469 Energy: 1.6396166548175692 Energy: 1.4567403632931462 Energy: 1.6396166548185744 Energy: 1.576123095207882 Energy: 1.550835582203765 Energy: 1.3720871143001792 Energy: 1.5508355802822318 Energy: 1.787784260785071 Energy: 1.6782881174084838 Energy: 1.4591904548534427 Energy: 1.6782881174084838 Energy: 1.2668063011485098 Energy: 1.8439686446126187 Energy: 1.5494725456891558 Energy: 1.8439686446126187 Energy: 1.6094328406754494 Energy: 1.5856776389725025 Energy: 1.838520592679478 Energy: 1.5856776389725025 Energy: 1.4500457067521328 Energy: 2.022902765315968 Energy: 1.3637600741087188 Energy: 2.02290276531999 Energy: 1.7843464410181407 Energy: 1.6407811937466017 Energy: 1.421670346162739 Energy: 1.6407811937455963 Energy: 1.4516267954946822 Energy: 1.7351555891138621 Energy: 1.5760654860770473 Energy: 1.7351555891138621 Energy: 1.3968567529626503 Energy: 1.6524821961585259 Energy: 1.526599341861464 Energy: 1.6524821961575207 Energy: 1.6734131426955192 Energy: 1.4030041728462246 Energy: 1.571876532697429 Energy: 1.4030041728452192 Energy: 1.733757848565513 Energy: 1.7918253923681164 Energy: 1.2559035054868535 Energy: 1.7918253923661058 Energy: 1.7376521607613231 Energy: 1.31656585989596 Energy: 1.42993736797855 Energy: 1.31656585989596 Energy: 1.4898587157492325 Energy: 1.7626146222133405 Energy: 1.4067559094675146 Energy: 1.762614622216357 Energy: 1.478158193576781 Energy: 1.51784537443792 Energy: 1.6340188382628555 Energy: 1.5178453744389255 minimum gb energy = 1.2312846392036159 eV minimum distance = 2.32359763027893 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.5707286111277128 Energy: 1.5738860064750926 Energy: 1.3440393148704661 Energy: 1.573886006476292 Energy: 1.8440385386832805 Energy: 1.5499990474514065 Energy: 1.342897501976007 Energy: 1.5499990474514065 Energy: 1.5921418444087845 Energy: 1.4100514715611858 Energy: 1.4672224914441387 Energy: 1.4100514715611858 Energy: 1.6039284660327158 Energy: 1.7087340299068932 Energy: 1.8597831625137433 Energy: 1.708734029909265 Energy: 1.7856653890147651 Energy: 1.581463401856055 Energy: 1.6836525470829742 Energy: 1.581463401856055 Energy: 1.6152524499276335 Energy: 1.996157306515386 Energy: 1.7189018628334132 Energy: 1.9961573065165854 Energy: 1.4714613246017292 Energy: 1.5916286274855596 Energy: 1.946968773042457 Energy: 1.591628627486759 Energy: 1.4647188392873107 Energy: 1.89060212954861 Energy: 1.45950117131315 Energy: 1.8906021295498094 Energy: 1.584714518218152 Energy: 1.2911156250969904 Energy: 1.827549975183051 Energy: 1.2911156250969904 Energy: 1.7998485797575356 Energy: 1.6801453495957501 Energy: 1.5561214430398362 Energy: 1.6801453496868786 Energy: 1.56395907070971 Energy: 1.4643338218428088 Energy: 1.5191563945792363 Energy: 1.4643338218428088 Energy: 1.4209431292209518 Energy: 1.7820947059447834 Energy: 1.7930094670655046 Energy: 1.7820947059447834 Energy: 1.4507194104788277 Energy: 1.692043327906155 Energy: 1.3122866070772223 Energy: 1.6920433279049556 Energy: 1.7292967331274032 Energy: 1.6876723953946686 Energy: 1.5262802149203651 Energy: 1.687672395395868 Energy: 1.4441763842653321 Energy: 1.690718544252734 Energy: 1.3646534706519837 Energy: 1.6907185442539332 Energy: 1.4141542295727447 Energy: 1.7811505000163672 Energy: 1.7952801908583884 Energy: 1.7811505000163672 Energy: 1.5636397477935065 Energy: 1.4419340671772767 Energy: 1.650766731931957 Energy: 1.441934062538775 Energy: 1.7933416720398263 Energy: 1.7503028006814507 Energy: 1.5538477258422791 Energy: 1.7340064492249916 Energy: 1.6097617165828828 Energy: 1.2877843292329143 Energy: 1.5351297092713472 Energy: 1.2877843292329143 Energy: 1.4524169987101787 Energy: 1.8852797468836526 Energy: 1.4546542562392122 Energy: 1.8852797468836526 Energy: 1.4504818565078452 Energy: 1.5904612905043547 Energy: 1.90765472644463 Energy: 1.5904612904863906 minimum gb energy = 1.2877843292329143 eV minimum distance = 2.32320821149221 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.6354682050214402 Energy: 1.304998353006626 Energy: 1.5150467330558117 Energy: 1.304998353006626 Energy: 1.9161492656813022 Energy: 1.5002458529750513 Energy: 1.3758668086039143 Energy: 1.5002458529765346 Energy: 1.5303771920331048 Energy: 1.651512140339888 Energy: 1.4178359505363325 Energy: 1.651512140339888 Energy: 1.790617430838756 Energy: 1.6781846119010675 Energy: 1.4774515625620959 Energy: 1.6781846119010675 Energy: 1.6818191269038223 Energy: 1.7999640190418136 Energy: 1.6778319060015952 Energy: 1.7999640190418136 Energy: 1.328659609761258 Energy: 1.8906677284209057 Energy: 1.700497936841614 Energy: 1.8906677284209057 Energy: 1.6509124511220028 Energy: 1.4171726991393834 Energy: 1.7545711520492997 Energy: 1.4171726991393834 Energy: 1.486540757211853 Energy: 1.3658373415349754 Energy: 1.8067129637323063 Energy: 1.3658373415349754 Energy: 1.5207740285672693 Energy: 1.6600705252928551 Energy: 1.7571750365061822 Energy: 1.6600705252928551 Energy: 1.735325212405297 Energy: 1.4467794036437505 Energy: 1.4576697252516269 Energy: 1.4467794033294568 Energy: 1.6342010583517033 Energy: 1.6341675572335026 Energy: 1.5765712287146072 Energy: 1.6341675572349856 Energy: 1.528554594935428 Energy: 1.849396877983549 Energy: 1.7608158290650067 Energy: 1.8493968779820658 Energy: 1.3615044464110404 Energy: 1.7514732878610464 Energy: 1.299205763613785 Energy: 1.7514733006207677 Energy: 1.4100246947096082 Energy: 1.4131990021730843 Energy: 1.8177268962304018 Energy: 1.4131990021730843 Energy: 1.4986194201138068 Energy: 1.3783893101829552 Energy: 1.6648603047915211 Energy: 1.3783893101829552 Energy: 1.6450910234200364 Energy: 1.9526001806468691 Energy: 1.4643930744763536 Energy: 1.9526001806468691 Energy: 1.5312045382309873 Energy: 1.7786765570146488 Energy: 1.8768359901291116 Energy: 1.7786765570131655 minimum gb energy = 1.299205763613785 eV minimum distance = 2.33541282308914 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 1.546237420134005 Energy: 1.71603640662407 Energy: 1.5138779285590251 Energy: 1.71603640662407 Energy: 1.9767948673016154 Energy: 1.6427118941954844 Energy: 1.5149740636237508 Energy: 1.6427118941954844 Energy: 1.5876986655838834 Energy: 1.5629749854872823 Energy: 1.5175788099333798 Energy: 1.5629749854881225 Energy: 1.6644666391479028 Energy: 1.8457857997196292 Energy: 1.4052689930687505 Energy: 1.8457857997221112 Energy: 1.910090796771195 Energy: 1.7465446899396002 Energy: 1.6598889165379112 Energy: 1.7465446899219588 Energy: 1.6028498657503645 Energy: 1.7651530128723678 Energy: 1.6648388506836784 Energy: 1.7651530128732076 Energy: 1.6582581564930714 Energy: 1.6244407040839937 Energy: 1.5708070624656247 Energy: 1.6244407040848337 Energy: 1.6608169058799205 Energy: 1.597030425012172 Energy: 1.6616502377792144 Energy: 1.5970304250155325 Energy: 1.7154308094492405 Energy: 1.674374799128926 Energy: 1.7936453142953515 Energy: 1.674374799130606 Energy: 1.8340217393069589 Energy: 2.0268649232211535 Energy: 1.5568640290527702 Energy: 2.0268649232211535 Energy: 1.4253195051970096 Energy: 1.6486432596315148 Energy: 1.735903858609978 Energy: 1.6486432595845086 Energy: 1.70631721533828 Energy: 1.5509157130391849 Energy: 1.786989644728938 Energy: 1.5509157130391849 Energy: 1.7474280386873324 Energy: 1.7154541067950424 Energy: 1.5354872567858893 Energy: 1.7154541067950424 Energy: 1.4142824377349232 Energy: 1.8813443848389244 Energy: 1.7565886645283904 Energy: 1.8813443848414448 Energy: 1.6787809592517065 Energy: 1.6876309177856992 Energy: 1.7748494534370245 Energy: 1.6876309177848592 Energy: 1.6145637536473718 Energy: 1.6604346571456254 Energy: 1.4677661368270642 Energy: 1.6604346571464654 Energy: 1.5674702205222137 Energy: 1.6495895394449256 Energy: 1.8554335212363373 Energy: 1.6495895394583284 Energy: 1.630706067910078 Energy: 1.6727189256263937 Energy: 1.608228296049087 Energy: 1.6727189256255537 Energy: 1.3487768620268499 Energy: 1.5956307055753287 Energy: 1.7949264283078905 Energy: 1.5956307055753287 Energy: 1.3575480213479765 Energy: 1.8039896683893144 Energy: 1.6379875014408316 Energy: 1.8039896683901544 Energy: 1.539040090311932 Energy: 1.6390563288767677 Energy: 1.521518619429431 Energy: 1.6390563288776079 Energy: 1.5988301663642726 Energy: 1.8432228664489476 Energy: 2.1299880810656453 Energy: 1.8432228664489476 Energy: 1.4808433217651589 Energy: 1.7432638198281838 Energy: 1.504588042494621 Energy: 1.7432638198281838 Energy: 1.6797887477019795 Energy: 1.5507037892105457 Energy: 1.8225455660644272 Energy: 1.5507037892105457 Energy: 1.639456058692972 Energy: 1.5922868498189648 Energy: 1.7252893425246472 Energy: 1.5922868498349265 Energy: 1.4391417336488141 Energy: 1.7254991309251468 Energy: 1.507418221142333 Energy: 1.7254991309259866 Energy: 1.788309116213345 Energy: 1.8321880167249829 Energy: 1.9321932907874522 Energy: 1.8321880167249829 Energy: 1.4370854349607631 Energy: 1.7529019302940316 Energy: 1.5264877551990113 Energy: 1.7529019302931912 Energy: 1.873967055866191 Energy: 1.8161039648487027 Energy: 1.655580131199808 Energy: 1.8161039648495427 Energy: 1.675875842643156 Energy: 1.5125525070452632 Energy: 1.6442539048879896 Energy: 1.5125525070461034 minimum gb energy = 1.3487768620268499 eV minimum distance = 2.33435497019476 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.4839740620271624 Energy: 1.4525271775828592 Energy: 1.2892821945553385 Energy: 1.4525271775828592 Energy: 1.8232077183347553 Energy: 1.614842254295644 Energy: 1.7834709635410189 Energy: 1.614842254295644 Energy: 1.744943607414804 Energy: 1.9120314992566132 Energy: 1.3560260469367154 Energy: 1.9120314992585472 Energy: 1.7425753814311442 Energy: 1.9192452047546957 Energy: 1.3216351466032794 Energy: 1.919245204752762 Energy: 1.8223587788503894 Energy: 1.6487990526666758 Energy: 1.8341984079581222 Energy: 1.6487990526666758 Energy: 1.4839740620271624 Energy: 1.4525271775828592 Energy: 1.716823510594615 Energy: 1.4525271775828592 Energy: 1.8232077183347553 Energy: 1.614842254291776 Energy: 1.6704507755713078 Energy: 1.614842254291776 Energy: 1.744943607414804 Energy: 1.9120314992585472 Energy: 1.3560260469521437 Energy: 1.9120314992585472 Energy: 1.7425753814311442 Energy: 1.9192452047546957 Energy: 1.5300676659635946 Energy: 1.9192452047546957 Energy: 1.8223587788503894 Energy: 1.6487990526763459 Energy: 1.6769270237086473 Energy: 1.6487990526763459 Energy: 1.4839740620271624 Energy: 1.452527177584793 Energy: 1.8490527883520822 Energy: 1.4525271775828592 Energy: 1.8232077183347553 Energy: 1.614842254287908 Energy: 1.670450775569374 Energy: 1.614842254287908 Energy: 1.744943607414804 Energy: 1.9120314992566132 Energy: 1.3560260469405836 Energy: 1.9120314992585472 minimum gb energy = 1.2892821945553385 eV minimum distance = 2.31691701391113 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.7592867569524744 Energy: 1.6470338191578873 Energy: 1.588795882662859 Energy: 1.6470338191578873 Energy: 1.9672747728292705 Energy: 1.726607167553619 Energy: 1.60038199747898 Energy: 1.726607167553619 Energy: 1.6632199009471011 Energy: 1.8411939981973313 Energy: 1.584852856683953 Energy: 1.8411939981973313 Energy: 1.693252559795429 Energy: 1.7514336882784893 Energy: 1.4745809274479242 Energy: 1.7514336882777735 Energy: 1.8722794461281553 Energy: 1.7048342164435537 Energy: 1.5502903414985076 Energy: 1.7048342164435537 Energy: 1.476163202795942 Energy: 1.646898393799785 Energy: 1.6731382967782131 Energy: 1.646898393799785 Energy: 1.926978606363108 Energy: 1.7468210924167 Energy: 1.5617908768226505 Energy: 1.7468210924181318 Energy: 1.6624911284402235 Energy: 1.7816624968096553 Energy: 1.7120290588579044 Energy: 1.7816624968096553 Energy: 1.6688913615634955 Energy: 1.7052928331696413 Energy: 1.581351572842193 Energy: 1.7052928331689259 Energy: 1.763991026412905 Energy: 1.8155437789194913 Energy: 1.7648855156239267 Energy: 1.8155437789194913 Energy: 1.5890246849814127 Energy: 1.7240371722352519 Energy: 1.7029884612156128 Energy: 1.7240371722338201 Energy: 1.7607227295878454 Energy: 1.8547550489077524 Energy: 1.4305844691121459 Energy: 1.854755048908468 Energy: 1.437961438314365 Energy: 1.8598919500978435 Energy: 1.765966886923825 Energy: 1.8598919500971276 Energy: 1.7331327620997257 Energy: 1.6221858653716184 Energy: 1.6407016628114126 Energy: 1.6221858653723342 Energy: 1.7848071197817632 Energy: 1.8620981557681002 Energy: 1.7529056576022266 Energy: 1.8620981557702476 Energy: 1.3892179070915114 Energy: 1.7408837074335335 Energy: 1.5627596332457108 Energy: 1.7408837074335335 Energy: 1.7010743370707422 Energy: 1.9406544025391057 Energy: 1.6585720318548074 Energy: 1.9406544025398218 Energy: 1.5502291204639023 Energy: 1.6038143113745547 Energy: 1.8326759530297625 Energy: 1.6038143113752703 Energy: 1.6708927606052169 Energy: 1.736402361428154 Energy: 1.5983319478824227 Energy: 1.7364023614288697 Energy: 1.5165711870575245 Energy: 1.816386527399497 Energy: 1.842532382275725 Energy: 1.8163865273980653 Energy: 1.5674589762075277 Energy: 1.6795965876257384 Energy: 1.6643376177630733 Energy: 1.6795965876257384 Energy: 1.9598694856765706 Energy: 1.9302375144879884 Energy: 1.6740299796102023 Energy: 1.9302375144858412 Energy: 1.5890304185503932 Energy: 1.66362321106065 Energy: 1.8065066651153303 Energy: 1.663623211061366 Energy: 1.6766030569184938 Energy: 1.5936901038628895 Energy: 1.5911669586066488 Energy: 1.5936901038636053 Energy: 1.6303074299156937 Energy: 1.8212784883075068 Energy: 2.084497767451173 Energy: 1.8212784883075068 Energy: 1.5268265021342102 Energy: 1.6312444255768164 Energy: 1.5394243844027113 Energy: 1.6312444255753848 Energy: 1.6331326682862486 Energy: 1.7822068707870917 Energy: 1.6982959704141245 Energy: 1.7822068707885235 Energy: 1.6853967836367334 Energy: 1.8140940473305438 Energy: 1.8118635710436226 Energy: 1.81409404733126 Energy: 1.6079645077372005 Energy: 1.678614224281412 Energy: 1.5446342932914743 Energy: 1.678614224280696 Energy: 1.6227600607451302 Energy: 1.8139774582825643 Energy: 2.0723778116122684 Energy: 1.8139774582818486 Energy: 1.5602633140068665 Energy: 1.577022007979125 Energy: 1.5862409315679413 Energy: 1.5770220079776933 Energy: 1.5746985636270083 Energy: 1.6588042747523477 Energy: 1.7956118156045133 Energy: 1.6588042747530636 Energy: 1.602794438583235 Energy: 1.90931634705163 Energy: 1.667257270465604 Energy: 1.90931634705163 Energy: 1.553258585321489 Energy: 1.709990165654716 Energy: 1.5958640798472852 Energy: 1.709990165654716 Energy: 1.432259879786777 Energy: 1.881279627310235 Energy: 1.9963356760306774 Energy: 1.8812796273088033 minimum gb energy = 1.3892179070915114 eV minimum distance = 2.34173859746463 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.5193365201008424 Energy: 1.57935840358417 Energy: 1.6421947187633796 Energy: 1.57935840358417 Energy: 1.8903739957315586 Energy: 1.735702516950363 Energy: 1.6118909584970726 Energy: 1.7357025169514984 Energy: 1.7117176327737689 Energy: 1.8698633746955007 Energy: 1.5148210013400432 Energy: 1.8698633746955007 Energy: 1.6135213555850716 Energy: 1.761669715596246 Energy: 1.5040795099805764 Energy: 1.761669715596246 Energy: 1.5809939254951897 Energy: 1.6292664984292218 Energy: 1.6479893384333166 Energy: 1.6292664984292218 Energy: 1.6177454479826954 Energy: 1.667882190028981 Energy: 1.592495826700507 Energy: 1.6678821900448808 Energy: 1.9090536586924898 Energy: 1.7478607546802671 Energy: 1.5587364689320846 Energy: 1.7478607546802671 Energy: 1.3434143813368211 Energy: 1.7226166467214648 Energy: 1.609989542746788 Energy: 1.7226166467339572 Energy: 1.7306753717814636 Energy: 1.589278840381252 Energy: 1.4043350716873093 Energy: 1.589278840381252 Energy: 1.9094473038797999 Energy: 1.8570846491210333 Energy: 1.8584137150670192 Energy: 1.8570846491210333 Energy: 1.4357838006362014 Energy: 1.6530253288444365 Energy: 1.691452622205346 Energy: 1.6530253288444365 Energy: 1.6826955831435757 Energy: 1.798372457597934 Energy: 1.4027876192932116 Energy: 1.798372457597934 Energy: 1.510553637009206 Energy: 1.6234432832354038 Energy: 1.9213667483716774 Energy: 1.6234432832342682 Energy: 1.6584351254733147 Energy: 1.5714220346787715 Energy: 1.6282987225366405 Energy: 1.5714220346787715 Energy: 1.5074098936538167 Energy: 1.799943560210732 Energy: 1.7293923233268391 Energy: 1.7999435602084606 Energy: 1.816967472396285 Energy: 1.7932143817684585 Energy: 1.4746617256896197 Energy: 1.7932143817684585 Energy: 1.715746205275526 Energy: 1.9272948794083276 Energy: 1.8110538733879167 Energy: 1.9272948794094633 Energy: 1.675060901917052 Energy: 1.6243703339468845 Energy: 1.900625164744331 Energy: 1.6243703339480202 Energy: 1.5459600363220152 Energy: 1.59692781713732 Energy: 1.5578191627542084 Energy: 1.59692781713732 Energy: 1.6589326477496242 Energy: 2.0116070741718115 Energy: 1.9473256590244603 Energy: 2.0116070741718115 Energy: 1.6883024900270722 Energy: 1.697755617608977 Energy: 1.6111092600492563 Energy: 1.697755617608977 Energy: 1.539433442954295 Energy: 1.7247581594486392 Energy: 1.8527357214202014 Energy: 1.7247581594486392 minimum gb energy = 1.3434143813368211 eV minimum distance = 2.33872387212579 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 1.531648190834181 Energy: 1.5093702837165808 Energy: 1.7220215892426551 Energy: 1.5093702837189538 Energy: 1.7319944691652887 Energy: 1.9277554320395585 Energy: 1.5830341986968406 Energy: 1.9277554320387553 Energy: 1.4467584447484572 Energy: 1.8796467423648284 Energy: 1.4932501262697535 Energy: 1.8796467423648284 Energy: 1.6501779328289283 Energy: 1.7233177865704397 Energy: 1.6345312072747142 Energy: 1.7233177865704397 Energy: 1.5891326980048612 Energy: 1.690391603698788 Energy: 1.5905290432535069 Energy: 1.690391603698788 Energy: 1.3477597428431667 Energy: 1.761053154939436 Energy: 1.6607741002928385 Energy: 1.761053154940239 Energy: 1.861801102852524 Energy: 1.7999652722724375 Energy: 1.5877746371240544 Energy: 1.7999652722740436 Energy: 1.3491076449254933 Energy: 1.6795889616766402 Energy: 1.6649836587851452 Energy: 1.6795889616790496 Energy: 1.9143703370549445 Energy: 1.5361624288102236 Energy: 1.4846457539325038 Energy: 1.5361624288102236 Energy: 1.4438024110058838 Energy: 1.9680367791331632 Energy: 1.8784385578069007 Energy: 1.9680367791355724 Energy: 1.6802287151920254 Energy: 1.7579716943874448 Energy: 1.4757802183745201 Energy: 1.7579716943882482 Energy: 1.7494500872046959 Energy: 1.7537640450026681 Energy: 1.777476444734858 Energy: 1.7537640450058807 Energy: 1.5658045113321464 Energy: 1.6391887145428035 Energy: 1.848188978374252 Energy: 1.6391887145436068 Energy: 1.4995332741633052 Energy: 1.654083127918928 Energy: 1.5925353228126193 Energy: 1.654083127919731 Energy: 1.5025967215368017 Energy: 1.7503651081749092 Energy: 1.8526567238865452 Energy: 1.750365108173303 Energy: 1.663191764636827 Energy: 1.549761357983728 Energy: 1.5166327461988818 Energy: 1.5497613579861371 Energy: 1.4742293191613638 Energy: 1.5747639360101957 Energy: 1.8433187817421965 Energy: 1.5747639360101957 Energy: 1.6664196000680678 Energy: 1.7450820895643655 Energy: 1.6638197094315523 Energy: 1.7450820895659713 Energy: 1.4520760626839266 Energy: 1.7829752940489778 Energy: 1.721702434932708 Energy: 1.7829752940505839 Energy: 1.4380191063469172 Energy: 1.75904207563901 Energy: 1.735093071920857 Energy: 1.7590420756406162 Energy: 1.7988014670437649 Energy: 1.6904227603655235 Energy: 1.473181699075353 Energy: 1.6904227603663267 Energy: 1.4982523150541192 Energy: 1.8762113610748399 Energy: 1.691089926257173 Energy: 1.876211361074037 Energy: 1.9031376144565801 Energy: 1.7040848217040845 Energy: 1.5335981876618243 Energy: 1.704084821700069 Energy: 1.439028188783659 Energy: 1.6024691867579897 Energy: 1.7078905512931553 Energy: 1.6024691867547773 Energy: 1.9341586605320211 Energy: 1.7087635183825816 Energy: 1.6004660664054193 Energy: 1.7087635183833845 Energy: 1.5610844225438387 Energy: 1.8396326421881033 Energy: 1.5657306148360866 Energy: 1.839632642186497 Energy: 1.5426157268772362 Energy: 1.9157360326281787 Energy: 1.681046074358088 Energy: 1.9157360326289816 Energy: 1.6704430309089193 Energy: 1.6666666578244709 Energy: 1.6333637292125665 Energy: 1.666666657825274 Energy: 1.358109203543424 Energy: 1.7557957199433731 Energy: 1.5806032917498871 Energy: 1.7557957199401613 Energy: 1.6219482844915165 Energy: 2.1190127477444336 Energy: 1.6325623004138134 Energy: 2.1190127477444336 Energy: 1.3606995742132528 Energy: 1.7668267200308583 Energy: 1.4989155333535618 Energy: 1.7668267200300551 minimum gb energy = 1.3477597428431667 eV minimum distance = 2.3395507459589 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.5522569944823867 Energy: 1.2487958137195072 Energy: 1.9656614579534368 Energy: 1.2487958137195072 Energy: 1.5970895432925991 Energy: 1.8464955948305617 Energy: 1.7782093663906415 Energy: 1.8464955948305617 Energy: 1.4586468254214078 Energy: 1.7573097936161006 Energy: 1.4954807855589343 Energy: 1.75730979361638 Energy: 1.8357527813615828 Energy: 1.6060176146197194 Energy: 1.553221005520615 Energy: 1.6060176146273653 Energy: 1.7774036889128257 Energy: 1.3411828661293501 Energy: 1.8249208697788697 Energy: 1.3411828661293501 Energy: 1.606070400449052 Energy: 1.9847327821336804 Energy: 1.6892934128511918 Energy: 1.9847327821339598 Energy: 1.3410820049204513 Energy: 1.3412199103972562 Energy: 1.7772381185847157 Energy: 1.3412199103972562 Energy: 1.562069326669251 Energy: 1.6207262023206188 Energy: 1.7964288495613077 Energy: 1.6207262023047675 Energy: 1.4996103369788711 Energy: 1.7438109594710414 Energy: 1.519227243526299 Energy: 1.74381095947129 minimum gb energy = 1.2487958137195072 eV minimum distance = 2.37971903120961 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 1.620962764046831 Energy: 1.6736899251615547 Energy: 1.7556830609587237 Energy: 1.6736899251615547 Energy: 1.7905313907012905 Energy: 1.6580101089405654 Energy: 1.5273268373308009 Energy: 1.6580101089420825 Energy: 1.4014761757366205 Energy: 1.6566073551977412 Energy: 1.7155733278724279 Energy: 1.6566073551977412 Energy: 1.5347371384356792 Energy: 1.6035021894859742 Energy: 1.7246940115491778 Energy: 1.603502189484457 Energy: 1.552235238001805 Energy: 1.867813124127107 Energy: 1.6725391624531338 Energy: 1.867813124127831 Energy: 1.562029745035831 Energy: 1.8488456548944765 Energy: 1.5648425022804042 Energy: 1.8488456548944765 Energy: 1.4732174246387117 Energy: 1.6498873862499848 Energy: 1.5988362793170396 Energy: 1.649887386250743 Energy: 1.552214437710735 Energy: 1.8401040719881927 Energy: 1.5460890378607095 Energy: 1.840104071987434 Energy: 1.710651322209975 Energy: 1.8403584521846936 Energy: 1.409866207932233 Energy: 1.8403584521846936 Energy: 1.6909680122195534 Energy: 1.6988844304168484 Energy: 1.5163075524691891 Energy: 1.6988844304168484 Energy: 1.4884195547431125 Energy: 1.825336266339685 Energy: 1.4485765276505176 Energy: 1.825336266339685 Energy: 1.4436635775471434 Energy: 1.6048007440015633 Energy: 1.8001735677057111 Energy: 1.6048007440068386 Energy: 1.9448911092427925 Energy: 1.6975023408008245 Energy: 1.6616680298848419 Energy: 1.6975023408008245 Energy: 1.6430356966526973 Energy: 1.8769245614464662 Energy: 1.7258461816704145 Energy: 1.8769245614472245 Energy: 1.841515917727158 Energy: 1.6928558012057038 Energy: 1.4381634205486293 Energy: 1.6928558012064623 Energy: 1.5523055822984604 Energy: 1.6150384326457785 Energy: 1.693678642187447 Energy: 1.6150384326457785 Energy: 1.6832487334815636 Energy: 1.580974594607101 Energy: 1.559331662409865 Energy: 1.5809745946078593 Energy: 1.634769844410748 Energy: 1.7721851205500363 Energy: 1.6261840987261242 Energy: 1.7721851205507948 Energy: 1.6354549710854314 Energy: 1.642349046604314 Energy: 1.4947061280245686 Energy: 1.642349046604314 Energy: 1.4277384675928977 Energy: 1.9022505420349292 Energy: 1.756318495414331 Energy: 1.9022505420356879 Energy: 1.5149739779282163 Energy: 1.7065698868442587 Energy: 1.7964049253804133 Energy: 1.7065698868450174 Energy: 1.564322923340943 Energy: 1.7958963299026562 Energy: 1.6978973219756135 Energy: 1.7958963299026562 Energy: 1.6034962863501678 Energy: 1.8542760171689634 Energy: 1.3385391921645609 Energy: 1.854276017168205 Energy: 1.7869892987090277 Energy: 1.751524874091403 Energy: 1.4940152135094824 Energy: 1.7515248740921616 Energy: 1.7208585501485103 Energy: 1.786726982741031 Energy: 1.6161581494911255 Energy: 1.786726982741031 Energy: 1.726904371154069 Energy: 1.9001687611313995 Energy: 1.6229052803032844 Energy: 1.9001687611313995 Energy: 1.6069657285016148 Energy: 1.603446752014213 Energy: 1.7655805667984363 Energy: 1.6034467520149713 Energy: 1.7896315918362622 Energy: 1.7562178153691337 Energy: 1.5529936302796385 Energy: 1.756217815368375 Energy: 1.5204211319223906 Energy: 1.6406343458781607 Energy: 1.7450519460185507 Energy: 1.6406343458774022 Energy: 1.6752525313449458 Energy: 1.7204603962368972 Energy: 1.5218221551131554 Energy: 1.7204603962368972 Energy: 1.5313416863339735 Energy: 1.5898398534797278 Energy: 1.7946408454777856 Energy: 1.5898398534797278 Energy: 1.8016650697343912 Energy: 1.642542254468959 Energy: 1.4119146794368307 Energy: 1.642542254470476 Energy: 1.6130539287061803 Energy: 1.7173040695774262 Energy: 1.758016179789932 Energy: 1.7173040695774262 minimum gb energy = 1.3385391921645609 eV minimum distance = 2.32833048274593 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 1.4591719941194348 Energy: 1.7151120525053187 Energy: 1.719768244940372 Energy: 1.7151120525063674 Energy: 1.685128949703503 Energy: 1.7123806731157556 Energy: 1.461199958951818 Energy: 1.7123806731147069 Energy: 1.2742498251330292 Energy: 1.818814549446738 Energy: 1.4220854008699355 Energy: 1.818814549446738 Energy: 1.6744526315429413 Energy: 1.6577204127194283 Energy: 1.555901194012461 Energy: 1.6577204127183793 Energy: 1.4113538697990058 Energy: 1.7749477635802728 Energy: 1.639608394971365 Energy: 1.7749477635802728 Energy: 1.588943012635075 Energy: 1.7534907968876794 Energy: 1.6527797476349395 Energy: 1.7534907968876794 Energy: 1.4734377786857262 Energy: 1.6763235908120162 Energy: 1.6376680911117198 Energy: 1.676323590813065 Energy: 1.5928387781437023 Energy: 1.7748361192614466 Energy: 1.5877887925185308 Energy: 1.7748361192624955 Energy: 1.6686468749747931 Energy: 1.562779948669794 Energy: 1.5923730233163322 Energy: 1.562779948669794 Energy: 1.7140698028738277 Energy: 1.7954779460149006 Energy: 1.5776156658656582 Energy: 1.7954779460138517 Energy: 1.5870452842373806 Energy: 1.7825602260786029 Energy: 1.4516866269811675 Energy: 1.7825602260775542 Energy: 1.4157716909303646 Energy: 1.7480821252406606 Energy: 1.5075437340926647 Energy: 1.7480821252406606 Energy: 1.6555905027775175 Energy: 1.7472317982055312 Energy: 1.6510253448829293 Energy: 1.74723179820658 Energy: 1.2481980937273713 Energy: 1.7689100555006458 Energy: 1.6265295435115628 Energy: 1.7689100554995971 Energy: 1.5462070856597467 Energy: 1.7025838466304426 Energy: 1.5444290721642973 Energy: 1.7025838466304426 Energy: 1.2181242524551816 Energy: 1.7427162065581019 Energy: 1.6293072921260052 Energy: 1.7427162065581019 Energy: 1.6399944601358296 Energy: 1.8201778836454525 Energy: 1.4423373553405738 Energy: 1.8201778836465012 Energy: 1.459171994146705 Energy: 1.7151120524371906 Energy: 1.6638776630605208 Energy: 1.7151120524371906 Energy: 1.6851289495986645 Energy: 1.7123806731157556 Energy: 1.461199958951818 Energy: 1.7123806731147069 Energy: 1.274249825134078 Energy: 1.818814549446738 Energy: 1.4220854008699355 Energy: 1.818814549446738 Energy: 1.6744526315429413 Energy: 1.6577204127183793 Energy: 1.55590119401351 Energy: 1.6577204127183793 Energy: 1.4113538697969081 Energy: 1.7749477635781992 Energy: 1.6396083949724136 Energy: 1.7749477635802728 Energy: 1.5889430126371726 Energy: 1.753490796888728 Energy: 1.6527797476213044 Energy: 1.753490796888728 Energy: 1.4734377786857262 Energy: 1.6763235908120162 Energy: 1.6112274365169417 Energy: 1.676323590813065 minimum gb energy = 1.2181242524551816 eV minimum distance = 2.32678907707603 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 1.5795683692528348 Energy: 1.7480192449723266 Energy: 1.7120271237766838 Energy: 1.7480192449626024 Energy: 1.7594058406712307 Energy: 1.701857263408554 Energy: 1.5597520122433162 Energy: 1.7018572634001268 Energy: 1.3531434841534848 Energy: 1.7001347383692338 Energy: 1.7380121203225278 Energy: 1.7001347383698817 Energy: 1.6246684069186654 Energy: 1.6403468477360215 Energy: 1.5634577651002235 Energy: 1.640346847735373 Energy: 1.3192728342567837 Energy: 1.815356638109584 Energy: 1.689833891214427 Energy: 1.8153566380026769 Energy: 1.5957197980282454 Energy: 1.855804454029919 Energy: 1.8620511985455102 Energy: 1.8558044540273257 Energy: 1.5100570143157428 Energy: 1.6472190746328295 Energy: 1.6188443148615976 Energy: 1.6472190746321813 Energy: 1.5064089172997919 Energy: 1.8204377377025271 Energy: 1.474808207582104 Energy: 1.8204377377018788 Energy: 1.62263578033104 Energy: 1.6449142292721552 Energy: 1.6107585830470352 Energy: 1.6449142292708587 Energy: 1.748391267669413 Energy: 1.863562289906636 Energy: 1.6741352585376403 Energy: 1.8635622899059876 Energy: 1.6336321018672317 Energy: 1.7368256265108029 Energy: 1.55237556639822 Energy: 1.7368256265120994 Energy: 1.7098325341460006 Energy: 1.744641618702605 Energy: 1.5342257697992339 Energy: 1.744641618702605 Energy: 1.606570178562436 Energy: 1.8637729443541005 Energy: 1.6899766377870236 Energy: 1.8637729443534523 Energy: 1.385555466110332 Energy: 1.8505174016168802 Energy: 1.6437650953253833 Energy: 1.850517401617528 Energy: 1.7418301394928828 Energy: 1.7781041035626706 Energy: 1.6726148733464594 Energy: 1.7781041035626706 Energy: 1.5317606639453647 Energy: 1.8216918730740561 Energy: 1.7531531131521476 Energy: 1.8216918730727596 Energy: 1.6797866645072475 Energy: 1.6274747938679441 Energy: 1.5437953135995612 Energy: 1.6274747938685925 Energy: 1.4350787712829547 Energy: 1.8855565232739306 Energy: 1.6272679138657382 Energy: 1.8855565232739306 Energy: 1.646409390863912 Energy: 1.7662662881859383 Energy: 1.4899491657932658 Energy: 1.7662662881872349 Energy: 1.726131105087783 Energy: 1.656349985940885 Energy: 1.6474260611971527 Energy: 1.6563499859402366 Energy: 1.7746951415812398 Energy: 1.720211501557831 Energy: 1.5608847413882452 Energy: 1.720211501557831 Energy: 1.3865597778647476 Energy: 1.7243597836488873 Energy: 1.7933528077551728 Energy: 1.7243597836462943 Energy: 1.5762039654375883 Energy: 1.7140089298340715 Energy: 1.7662855169174791 Energy: 1.7140089298340715 Energy: 1.569001254564032 Energy: 1.7257960452890058 Energy: 1.6894149189374899 Energy: 1.7257960452890058 Energy: 1.7461271910634335 Energy: 1.9178615830049197 Energy: 1.5864696798742532 Energy: 1.9178615830049197 Energy: 1.491205344826457 Energy: 1.6508366113924013 Energy: 1.6219034659207476 Energy: 1.650836611389808 Energy: 1.7567168891066045 Energy: 1.9644184007063685 Energy: 1.6042806456129255 Energy: 1.9644184007037753 Energy: 1.7179789717423564 Energy: 1.8135078926400925 Energy: 1.5804253836798103 Energy: 1.8135078926407406 Energy: 1.6538513014774938 Energy: 1.8781934297241873 Energy: 1.52145153903877 Energy: 1.8781934297241873 Energy: 1.681359413801159 Energy: 1.87727278254258 Energy: 1.4748790013180122 Energy: 1.87727278254258 Energy: 1.5567294733922927 Energy: 1.7646875972859306 Energy: 1.716503102083343 Energy: 1.7646875972865788 Energy: 1.539037970979579 Energy: 1.7513650717343108 Energy: 1.6326930832804647 Energy: 1.7513650717343108 Energy: 1.7084214582749198 Energy: 1.9293883092583801 Energy: 1.6957898722679223 Energy: 1.9293883092583801 Energy: 1.6257877311604507 Energy: 1.61845087114454 Energy: 1.6405573039733254 Energy: 1.6184508711114778 Energy: 1.4119299067790465 Energy: 1.9488882685499653 Energy: 1.632007028907235 Energy: 1.9488882685506137 Energy: 1.682799467182623 Energy: 1.719952791233247 Energy: 1.5859607734187051 Energy: 1.719952791233247 Energy: 1.8172565442096797 Energy: 1.7557026449774595 Energy: 1.646520130421757 Energy: 1.7557026449742184 Energy: 1.707647397916861 Energy: 1.7832971994493758 Energy: 1.42790992541885 Energy: 1.7832971994500242 minimum gb energy = 1.3192728342567837 eV minimum distance = 2.33733720848648 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 1.7505061217669353 Energy: 1.6794940168272074 Energy: 1.9023493569935068 Energy: 1.679494016832296 Energy: 1.5776962502431096 Energy: 1.6275046632604961 Energy: 1.4763612592925186 Energy: 1.6275046632604961 Energy: 1.2145249507864526 Energy: 1.9316272806336996 Energy: 1.5349840784671178 Energy: 1.93162728074727 Energy: 1.5332936658662908 Energy: 1.7902304248346061 Energy: 1.2056539884444926 Energy: 1.7902304248210363 Energy: 1.4875007764437134 Energy: 1.6538560684416763 Energy: 1.4655612578704837 Energy: 1.6538560682602566 Energy: 1.654726462936424 Energy: 1.7790312676393465 Energy: 1.3845881677472447 Energy: 1.7790312676393465 Energy: 1.3785980957853226 Energy: 1.6052957967775503 Energy: 1.5185309984211985 Energy: 1.6052957969250838 Energy: 1.406604023875681 Energy: 2.0562075325539926 Energy: 1.3099062150262615 Energy: 2.056207532906655 Energy: 1.5734509905702418 Energy: 1.5736729007694974 Energy: 1.4380226888080934 Energy: 1.5736729007694974 Energy: 1.5613008128270485 Energy: 2.0039022694287008 Energy: 1.6946681618975143 Energy: 2.0039022694287008 Energy: 1.3841682531817452 Energy: 1.6776583488980714 Energy: 1.5418397953679024 Energy: 1.6776583489303 Energy: 1.4753884633498389 Energy: 1.7544992279087201 Energy: 1.5258786558054014 Energy: 1.7544992279087201 Energy: 1.3656244230059038 Energy: 1.718028439529147 Energy: 1.3342233116535482 Energy: 1.7180284395308432 Energy: 1.4890897488604606 Energy: 1.756904650929992 Energy: 1.499508143363393 Energy: 1.756904650929992 Energy: 1.6914459269182773 Energy: 1.7051924443032553 Energy: 1.3546477004339974 Energy: 1.7051924441048734 minimum gb energy = 1.2056539884444926 eV minimum distance = 2.29383955896814 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 1.7547534506727138 Energy: 1.6842340806553469 Energy: 1.6422756427695395 Energy: 1.6842340802651625 Energy: 1.555493609438476 Energy: 1.7416143728149793 Energy: 1.196980947758269 Energy: 1.7416143728149793 Energy: 1.5318203747483832 Energy: 1.7703701376044991 Energy: 1.6167909784715357 Energy: 1.770370137607343 Energy: 1.4589513170756676 Energy: 1.7272595531925345 Energy: 1.202348007465046 Energy: 1.7272595531918236 Energy: 1.5028905892595734 Energy: 1.704471262136226 Energy: 1.5733188648706373 Energy: 1.704471262136226 Energy: 1.6409765889806156 Energy: 1.8210372194167228 Energy: 1.4306195371760297 Energy: 1.821037219416012 Energy: 1.5344094470959384 Energy: 1.6105801101070694 Energy: 1.5408855343632641 Energy: 1.6105801099322397 Energy: 1.5951027796186745 Energy: 1.8816848738092182 Energy: 1.4135309117364112 Energy: 1.8816848738085072 Energy: 1.5023367074065686 Energy: 1.6629700540821852 Energy: 1.5129348356664831 Energy: 1.6629700540821852 Energy: 1.5364767644823676 Energy: 1.9426958679639397 Energy: 1.3640832757868184 Energy: 1.942695867962518 Energy: 1.4609504455175042 Energy: 1.8197826377698127 Energy: 1.5313285537516457 Energy: 1.8197826377691015 Energy: 1.6225951873654803 Energy: 1.9093842739173512 Energy: 1.4179851126285914 Energy: 1.90938427391664 Energy: 1.5918397532708475 Energy: 1.8222157462064474 Energy: 1.667416036458133 Energy: 1.8222157462078692 Energy: 1.5845397586250154 Energy: 1.8860050416931455 Energy: 1.4655562468201335 Energy: 1.8860050416903018 Energy: 1.535611224380522 Energy: 1.776212705433617 Energy: 1.604177851530296 Energy: 1.776212705434328 Energy: 1.490866372898888 Energy: 1.713393853677694 Energy: 1.3692735332943602 Energy: 1.713393853674139 Energy: 1.474244902218834 Energy: 1.8376917785287838 Energy: 1.442490853892421 Energy: 1.837691778528073 Energy: 1.6425677711041873 Energy: 1.8654294587093834 Energy: 1.5450917575454826 Energy: 1.8654294587100941 Energy: 1.5992638945335262 Energy: 1.9411101847807022 Energy: 1.5375481948181138 Energy: 1.9411101847871006 Energy: 1.603994299602478 Energy: 1.9706465509743731 Energy: 1.4981281742456105 Energy: 1.9706465509736621 Energy: 1.6402800798814114 Energy: 1.8573845055371188 Energy: 1.4853892335824423 Energy: 1.8573845055356968 Energy: 1.4715667884321646 Energy: 1.8380321825172168 Energy: 1.4359725778664734 Energy: 1.8380321825172168 Energy: 1.4843615313231713 Energy: 1.7721167341233468 Energy: 1.3741007696285867 Energy: 1.7721167341233468 Energy: 1.5995271287450965 Energy: 1.7713135288104649 Energy: 1.7059401653282982 Energy: 1.7713135288104649 Energy: 1.5655322863451824 Energy: 1.8875364894079738 Energy: 1.4286735354238824 Energy: 1.8875364894079738 Energy: 1.6202910418815744 Energy: 1.8214922246023268 Energy: 1.7120787982181582 Energy: 1.8214922246037488 Energy: 1.6181894612494447 Energy: 1.9057155461569448 Energy: 1.3661780856696693 Energy: 1.9057155461555226 Energy: 1.4624206761832044 Energy: 1.8290093911052883 Energy: 1.5726149443768827 Energy: 1.8290093911038665 Energy: 1.5599181977723002 Energy: 1.9458742564606875 Energy: 1.3338692469526083 Energy: 1.9458742564606875 Energy: 1.5143937549119892 Energy: 1.665015186126238 Energy: 1.566885101806065 Energy: 1.665015186126238 Energy: 1.5988148649507545 Energy: 1.8596688469605909 Energy: 1.4311641513028046 Energy: 1.8596688469598797 Energy: 1.5166715202271437 Energy: 1.7659086157425818 Energy: 1.6278697818442653 Energy: 1.765908615741871 Energy: 1.5940324596419038 Energy: 1.800728222944516 Energy: 1.4281244295073456 Energy: 1.8007282229466488 Energy: 1.4556913912502492 Energy: 1.7259195373769638 Energy: 1.5357284504762423 Energy: 1.7259195373769638 Energy: 1.4511343508596541 Energy: 1.7512777584869939 Energy: 1.209924079820985 Energy: 1.7512777584884156 minimum gb energy = 1.196980947758269 eV minimum distance = 2.33693255103177 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 1.4406303723429117 Energy: 1.8694919836201755 Energy: 1.6207883390793063 Energy: 1.8694919836201755 Energy: 1.5649506830619884 Energy: 1.6447211414089846 Energy: 1.1569907223839437 Energy: 1.6447211414089846 Energy: 1.4419093080337448 Energy: 1.6471633392915062 Energy: 1.6370851464230989 Energy: 1.6471633392096094 Energy: 1.5629509369279864 Energy: 1.7608014250478634 Energy: 1.0674255729781557 Energy: 1.7608014250466402 Energy: 1.158991537002545 Energy: 1.7217963512053218 Energy: 1.5612567502264343 Energy: 1.7217963512053218 Energy: 1.4085702720361233 Energy: 1.6157876169999128 Energy: 1.2549842410009386 Energy: 1.615787616986458 Energy: 1.3910532078895224 Energy: 1.6863811053199862 Energy: 1.4991383007278893 Energy: 1.6863811053199862 Energy: 1.8117367305176266 Energy: 1.7883249983663845 Energy: 1.525914269367255 Energy: 1.7883249983676077 Energy: 1.1996306251854225 Energy: 1.5967610632837597 Energy: 1.440284149308915 Energy: 1.5967610632483153 Energy: 1.3423414946511807 Energy: 1.706653128351153 Energy: 1.3454015082085065 Energy: 1.706653128351153 Energy: 1.2133404338101281 Energy: 1.9036043282455752 Energy: 1.4532943651668526 Energy: 1.9036043282455752 Energy: 1.474870415993425 Energy: 1.9163400674244173 Energy: 1.3533108586640368 Energy: 1.9163400674244173 Energy: 1.247037938738548 Energy: 1.7847507776779443 Energy: 1.3676095899481933 Energy: 1.7847507776779443 Energy: 1.4806105626601138 Energy: 1.8892503703542316 Energy: 1.3312014865006754 Energy: 1.8892503703542316 Energy: 1.6152332383014365 Energy: 1.9322002579138224 Energy: 1.7216883791149529 Energy: 1.9322002579138224 Energy: 1.5241294886091452 Energy: 1.8650085137346433 Energy: 1.4886808313637288 Energy: 1.86500851373342 Energy: 1.372216953278965 Energy: 1.7381518102471136 Energy: 1.2608911882174338 Energy: 1.7381518102471136 Energy: 1.4909895302871106 Energy: 1.6789743410070315 Energy: 1.287724801662176 Energy: 1.6789743410070315 Energy: 1.4503463317121668 Energy: 1.9696715368935032 Energy: 1.166427937297178 Energy: 1.9696715368922801 Energy: 1.4293619849629071 Energy: 1.6981090119820799 Energy: 1.4646624614109363 Energy: 1.6981090119820799 minimum gb energy = 1.0674255729781557 eV minimum distance = 2.3310726840601 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 1.4711061568716934 Energy: 1.600676271511343 Energy: 1.5840639735968458 Energy: 1.6006762715094327 Energy: 1.4638552423550233 Energy: 1.5192858887266796 Energy: 1.121833486891483 Energy: 1.5192858887257246 Energy: 1.2846698950022177 Energy: 1.6544177612301445 Energy: 1.630336199402067 Energy: 1.6544177612301445 Energy: 1.5196326721272566 Energy: 1.5665844713782373 Energy: 1.2215653961590827 Energy: 1.5665844714737076 Energy: 1.198299735966251 Energy: 1.623589816995707 Energy: 1.5230830954605197 Energy: 1.623589816995707 Energy: 1.4188691577716332 Energy: 1.707876156596783 Energy: 1.1963874529726475 Energy: 1.707876156595828 Energy: 1.2086972920161587 Energy: 1.6600671316393414 Energy: 1.454491884422751 Energy: 1.6600671316393414 Energy: 1.3644342750652863 Energy: 1.7728202085744365 Energy: 1.3129749172980927 Energy: 1.7728202085744365 Energy: 1.278403851450512 Energy: 1.55516913305951 Energy: 1.43151489618649 Energy: 1.5551694644294485 Energy: 1.6743520562883774 Energy: 1.6042119578806606 Energy: 1.4052603209209615 Energy: 1.60421195813464 Energy: 1.1574293218473783 Energy: 1.650005188456607 Energy: 1.4109286600850683 Energy: 1.650005188457562 Energy: 1.378266557747492 Energy: 1.8079799877740215 Energy: 1.4034959592657388 Energy: 1.807979987773066 Energy: 1.304030620141725 Energy: 1.6715018857011892 Energy: 1.4649824925547077 Energy: 1.6715018861451538 Energy: 1.340900418793231 Energy: 1.7251057359543576 Energy: 1.1914003301833662 Energy: 1.7251057359543576 Energy: 1.140149774911746 Energy: 1.767431019075765 Energy: 1.3242281811630865 Energy: 1.767431019075765 Energy: 1.518056875372277 Energy: 1.8215682188243534 Energy: 1.4368424050138668 Energy: 1.8215682188243534 Energy: 1.3132573197238613 Energy: 1.7800973316004252 Energy: 1.3681856215872568 Energy: 1.7800973315994701 Energy: 1.4210180914670587 Energy: 1.6583151447890285 Energy: 1.2424636236316133 Energy: 1.6583151450649327 Energy: 1.3435035172136698 Energy: 1.6760594028854328 Energy: 1.5267119922630192 Energy: 1.6760594028854328 Energy: 1.4793037141464194 Energy: 1.7582378359242226 Energy: 1.2801330881780244 Energy: 1.758237835925178 Energy: 1.2639012905222098 Energy: 1.8298334151212008 Energy: 1.2320834802684217 Energy: 1.8298334151192908 Energy: 1.3893173847283802 Energy: 1.843699891405284 Energy: 1.2348256579893084 Energy: 1.843699891405284 Energy: 1.2601325481705845 Energy: 1.8391385616802545 Energy: 1.3309188828155751 Energy: 1.8391385616792995 Energy: 1.3591624551370916 Energy: 1.7371405830842037 Energy: 1.29527484821039 Energy: 1.7371405830822932 Energy: 1.3223278388123099 Energy: 1.8570317918948396 Energy: 1.4898834256847466 Energy: 1.8570317918986599 Energy: 1.375282666036496 Energy: 1.7755969219667007 Energy: 1.2411446269495894 Energy: 1.7755969219667007 minimum gb energy = 1.121833486891483 eV minimum distance = 2.33008775930624 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 1.2210961052539073 Energy: 1.5600231479336693 Energy: 1.572569564617821 Energy: 1.5600231479258386 Energy: 1.417217098491982 Energy: 1.4992156788920898 Energy: 1.0532196293547296 Energy: 1.4992156794485925 Energy: 1.1924733023262923 Energy: 1.495951656655847 Energy: 1.6628845412874356 Energy: 1.49595165665663 Energy: 1.3359753444722575 Energy: 1.5998183298241921 Energy: 1.041831210474488 Energy: 1.599818329823409 Energy: 0.9566022238470138 Energy: 1.5968583494527417 Energy: 1.4647513108861872 Energy: 1.5968583494769808 Energy: 1.456263972359945 Energy: 1.5543719505766473 Energy: 0.878872614504053 Energy: 1.5543719505766473 Energy: 0.975825349848993 Energy: 1.5706958118454328 Energy: 1.4415412745936016 Energy: 1.5706958118399517 Energy: 1.3902431589781212 Energy: 1.6306952946204814 Energy: 0.9582373863953189 Energy: 1.6306952946189153 Energy: 1.0484678766310016 Energy: 1.5217365179946283 Energy: 1.3812141505627156 Energy: 1.5217365179969777 Energy: 1.3071186236064176 Energy: 1.4692352172107725 Energy: 1.0719895270613302 Energy: 1.4692352172115555 Energy: 1.0638494991004068 Energy: 1.533988807816444 Energy: 1.4281193058386203 Energy: 1.533988807817227 Energy: 1.5967727777238916 Energy: 1.6386750990806955 Energy: 1.227154148897923 Energy: 1.6386750990806955 Energy: 1.05267627695901 Energy: 1.6000006568173475 Energy: 1.3865565088222052 Energy: 1.6000006568149983 Energy: 1.3040520485302822 Energy: 1.6057769437978995 Energy: 1.0766564872603719 Energy: 1.6057769437978995 Energy: 1.1431377439750139 Energy: 1.5976654168402844 Energy: 1.34410156936293 Energy: 1.5976654168308877 Energy: 1.3320343692140326 Energy: 1.6831818532256977 Energy: 0.9942553280848276 Energy: 1.6831818532256977 Energy: 0.9530359498286294 Energy: 1.5987408721424878 Energy: 1.3310874658898628 Energy: 1.5987408721424878 Energy: 1.4266771843575412 Energy: 1.6397961741293992 Energy: 0.9439535381693871 Energy: 1.6397961741293992 Energy: 1.0655684241504335 Energy: 1.6996420280617623 Energy: 1.326335364624026 Energy: 1.6996420280914828 Energy: 1.3262980832310702 Energy: 1.6248411862895435 Energy: 0.9815852016787159 Energy: 1.6248411863263115 Energy: 1.177687986835769 Energy: 1.712182473859321 Energy: 1.2296739111179378 Energy: 1.712182473859321 Energy: 1.4112547246942713 Energy: 1.5627772020067703 Energy: 1.0593775572374136 Energy: 1.5627772020717283 Energy: 1.3262061776314975 Energy: 1.6925997559699688 Energy: 1.5217755688062744 Energy: 1.6925997560059893 Energy: 1.379908394067492 Energy: 1.607143346270689 Energy: 1.1487508248459868 Energy: 1.6071433462714722 Energy: 1.172709754719635 Energy: 1.6671630976896823 Energy: 1.435654837499873 Energy: 1.6671630976904654 Energy: 1.3218672959702573 Energy: 1.6232027164284033 Energy: 1.1404560170144291 Energy: 1.623202716575582 Energy: 1.069078892453063 Energy: 1.8042058547144628 Energy: 1.3048534559299778 Energy: 1.804205854715246 Energy: 1.2794135314673043 Energy: 1.7948609182128676 Energy: 1.0694648955664012 Energy: 1.7948609182128676 Energy: 0.992477691857974 Energy: 1.680532221133443 Energy: 1.3574410563459427 Energy: 1.6805322211365752 Energy: 1.2706783417187717 Energy: 1.7665010248255222 Energy: 1.0832392102515453 Energy: 1.7665010247582151 Energy: 0.9824789259104227 Energy: 1.8092938564185062 Energy: 1.4267377341858103 Energy: 1.8092938564192893 Energy: 1.2477506556591935 Energy: 1.821292334306238 Energy: 1.2863883447976334 Energy: 1.821292334306238 minimum gb energy = 0.878872614504053 eV minimum distance = 2.30728366317146 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 1.2802189442515917 Energy: 1.5027533248482523 Energy: 1.6226906483047718 Energy: 1.5027533248489156 Energy: 1.3974979769639764 Energy: 1.4944345529689884 Energy: 1.0923911815172003 Energy: 1.4944345529696517 Energy: 1.0474083919205677 Energy: 1.4655244004210795 Energy: 1.5607501529817451 Energy: 1.4655244004177628 Energy: 1.3553889389572693 Energy: 1.4750615549141377 Energy: 1.0713149980292607 Energy: 1.475061554918781 Energy: 1.0467648939946723 Energy: 1.4907131711358874 Energy: 1.487248062393064 Energy: 1.4907131711365507 Energy: 1.2739911463312072 Energy: 1.4953919843840893 Energy: 1.0234658580243365 Energy: 1.495391984385416 Energy: 0.8585807414573533 Energy: 1.5551493745516183 Energy: 1.361548728177569 Energy: 1.5551493745516183 Energy: 1.3477758562447588 Energy: 1.477748648086611 Energy: 0.9865191616533423 Energy: 1.4777486480859476 Energy: 1.096621318266441 Energy: 1.5810115360819106 Energy: 1.3683452793676547 Energy: 1.5810115360819106 Energy: 1.3181290491576296 Energy: 1.5639213870917923 Energy: 0.9443185165747808 Energy: 1.5639213870917923 Energy: 1.0289384535576793 Energy: 1.499256957154802 Energy: 1.3520347948901448 Energy: 1.4992569571534753 Energy: 1.2884929574796062 Energy: 1.4683732796307343 Energy: 1.0486194904259598 Energy: 1.4683732796227738 Energy: 1.0823679344692887 Energy: 1.5187276626970947 Energy: 1.4154163467023542 Energy: 1.5187276626931145 Energy: 1.5091858844301989 Energy: 1.4873928930674807 Energy: 1.2329375321904215 Energy: 1.4873928930668172 Energy: 1.0834800960090754 Energy: 1.512880703534364 Energy: 1.4025580040618904 Energy: 1.5128807035376808 Energy: 1.2359374356031447 Energy: 1.540774364644338 Energy: 1.083339490513203 Energy: 1.540774364644338 Energy: 1.0579960711869443 Energy: 1.589197635733014 Energy: 1.3516702701818353 Energy: 1.5891976357336774 Energy: 1.2821082390374825 Energy: 1.5607127769586266 Energy: 0.9501220566807875 Energy: 1.5607127769579632 Energy: 1.022259646061549 Energy: 1.5731210322792928 Energy: 1.3169219422666851 Energy: 1.5731210322806195 Energy: 1.3618715572816449 Energy: 1.5294697079952275 Energy: 0.9419571273575205 Energy: 1.5294697079952275 Energy: 1.0363726342596007 Energy: 1.675794683728726 Energy: 1.3024852297002598 Energy: 1.675794683728726 Energy: 1.2950433122929494 Energy: 1.632547946716647 Energy: 0.9606578892982701 Energy: 1.6325479467173103 Energy: 0.999084786342233 Energy: 1.6189872499712088 Energy: 1.267247216290041 Energy: 1.6189872499725357 Energy: 1.339379585032651 Energy: 1.527142815840811 Energy: 1.112791738266686 Energy: 1.5271428158494345 Energy: 1.1758506497371448 Energy: 1.7190644180837635 Energy: 1.2203530410020271 Energy: 1.7190644180797836 Energy: 1.3654146359081878 Energy: 1.5581267538963655 Energy: 0.7991446630377461 Energy: 1.558126753897029 Energy: 1.2748815971744334 Energy: 1.5561045265850963 Energy: 1.532176912888166 Energy: 1.5561045265850963 Energy: 1.388951206945944 Energy: 1.4786416889962803 Energy: 1.0144954503362253 Energy: 1.4786416889962803 Energy: 1.1922836150320735 Energy: 1.7104541646212028 Energy: 1.3409661061637712 Energy: 1.710454164621866 Energy: 1.325882417372117 Energy: 1.593419035081258 Energy: 1.1204367220649023 Energy: 1.5934190344719341 Energy: 1.0651414857455932 Energy: 1.6276197135018868 Energy: 1.281394347461617 Energy: 1.6276197135018868 Energy: 1.2504514934406752 Energy: 1.6251790875125227 Energy: 1.1861078292877303 Energy: 1.6251790875138494 Energy: 1.047310829158953 Energy: 1.7651159670841379 Energy: 1.3395968500502493 Energy: 1.7651159670841379 Energy: 1.2835063396884863 Energy: 1.7425056714224925 Energy: 1.0660830517754718 Energy: 1.742505671421829 Energy: 0.9002754725974114 Energy: 1.6687753479416674 Energy: 1.3947222862397533 Energy: 1.6687753479436573 Energy: 1.1911642560548443 Energy: 1.6460339203024692 Energy: 1.1521860464287546 Energy: 1.6460339203024692 Energy: 1.07238011633684 Energy: 1.5539831797027572 Energy: 1.4336750045669768 Energy: 1.5539831798114874 minimum gb energy = 0.7991446630377461 eV minimum distance = 2.36206174995843 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 1.1971729802379933 Energy: 1.5180432343948684 Energy: 1.41209227514755 Energy: 1.5180432343948684 Energy: 1.3809967346265515 Energy: 1.4720971122573552 Energy: 0.8211360656284048 Energy: 1.4720971122573552 Energy: 1.0186999980142635 Energy: 1.466990631571779 Energy: 1.5230220439246849 Energy: 1.4669906315723542 Energy: 1.345241686988311 Energy: 1.4463146127243867 Energy: 0.8473995486744348 Energy: 1.4463146127243867 Energy: 0.9844009388227136 Energy: 1.4881785365712097 Energy: 1.4106843200797503 Energy: 1.4881785365712097 Energy: 1.3849158772356558 Energy: 1.455833180215224 Energy: 0.8713728892154542 Energy: 1.455833180199115 Energy: 0.8096129203674808 Energy: 1.5149966544290232 Energy: 1.4164127517818261 Energy: 1.5149966544278728 Energy: 1.2710260291935696 Energy: 1.4719381668138498 Energy: 0.8248247468226615 Energy: 1.4719381668138498 Energy: 0.8447863845153712 Energy: 1.5276575852706653 Energy: 1.3459704677064734 Energy: 1.527657585271816 Energy: 1.2530326222905976 Energy: 1.4616642106454645 Energy: 0.823940874081886 Energy: 1.4616642106420126 Energy: 0.7742455999469597 Energy: 1.4385782564018743 Energy: 1.3578692102188101 Energy: 1.4385782564024496 Energy: 1.233881753244781 Energy: 1.4743869295806544 Energy: 0.9990803595929647 Energy: 1.4743869295812297 Energy: 0.8560637853296779 Energy: 1.4853691470247423 Energy: 1.324137709502175 Energy: 1.4853691470247423 Energy: 1.1628527023066153 Energy: 1.4671700872470337 Energy: 0.9977543433079412 Energy: 1.467170087228623 Energy: 0.7850989863540068 Energy: 1.4483324913271445 Energy: 1.3910701843986444 Energy: 1.4483324913265692 Energy: 1.3376366877902568 Energy: 1.4921666997581766 Energy: 1.123272228662811 Energy: 1.4921666997564507 Energy: 0.916962205323761 Energy: 1.5594480035398002 Energy: 1.3646354494829116 Energy: 1.5594480035392253 Energy: 1.1901064645705803 Energy: 1.5109865232565267 Energy: 1.02323843663661 Energy: 1.5109865232599788 Energy: 0.8785521088101231 Energy: 1.5318157261177063 Energy: 1.3481769853184509 Energy: 1.531815726117131 Energy: 1.2104874856123633 Energy: 1.4883108752191976 Energy: 0.9701689429732873 Energy: 1.4883108752197731 Energy: 0.9322979234807494 Energy: 1.5861284096656463 Energy: 1.3295339650693723 Energy: 1.5861284096656463 Energy: 1.3017691301966035 Energy: 1.5631053919168076 Energy: 0.8070361146177433 Energy: 1.5631053919168076 Energy: 0.8320781302931554 Energy: 1.5257524971021492 Energy: 1.2648891719385584 Energy: 1.5257524971015737 Energy: 1.2735164382052309 Energy: 1.5460772451101668 Energy: 0.8222407977234194 Energy: 1.5460772450992353 Energy: 0.9556671084370431 Energy: 1.6619725044740974 Energy: 1.2510262619067083 Energy: 1.6619725044752482 Energy: 1.3590247625050744 Energy: 1.4933816223024305 Energy: 0.8618899685205932 Energy: 1.4933816223035812 Energy: 0.9888735594029975 Energy: 1.5242331274556697 Energy: 1.238588618289605 Energy: 1.5242331274562453 Energy: 1.3275035571979126 Energy: 1.4842806609670045 Energy: 1.0471408045673143 Energy: 1.4842806609744839 Energy: 1.166316185138046 Energy: 1.6432230344656784 Energy: 1.2296482785173182 Energy: 1.6432230344518703 Energy: 1.3659515255744952 Energy: 1.4533719997341592 Energy: 0.7989157859877629 Energy: 1.4533719997341592 Energy: 1.182342513220347 Energy: 1.55939168741489 Energy: 1.3186990249424215 Energy: 1.559391687416041 Energy: 1.3587116486682302 Energy: 1.5568427351053775 Energy: 0.992318885212608 Energy: 1.5568427351053775 Energy: 1.1763095723249586 Energy: 1.5644464303559351 Energy: 1.3328829725562616 Energy: 1.5644465719194085 Energy: 1.3468900735031064 Energy: 1.5334572368932917 Energy: 0.943042978971323 Energy: 1.5334572368915658 Energy: 0.9791990801202883 Energy: 1.5756512799415938 Energy: 1.2113716629471256 Energy: 1.5756512860701506 Energy: 1.258868628683346 Energy: 1.6348254462530083 Energy: 1.016563564994645 Energy: 1.634825446393886 Energy: 0.9645120933494774 Energy: 1.65161019654375 Energy: 1.3133899941954905 Energy: 1.6516101965449006 Energy: 1.2844132646193627 Energy: 1.6620370298669358 Energy: 0.9330022115563429 Energy: 1.662037029865785 Energy: 0.8220166493007659 Energy: 1.6319058956701866 Energy: 1.332788457510253 Energy: 1.6319058956770907 Energy: 1.2184862938488374 Energy: 1.7460164825077213 Energy: 1.0586890786281293 Energy: 1.7460164825082964 Energy: 1.0464302753146233 Energy: 1.555021216137823 Energy: 1.3942938736532933 Energy: 1.555021216136672 Energy: 1.2033784575309352 Energy: 1.6235352100507583 Energy: 1.0849621458070864 Energy: 1.6235352100513336 Energy: 0.9938962039149152 Energy: 1.4818056323538913 Energy: 1.3952305299997279 Energy: 1.4818056323717264 minimum gb energy = 0.7742455999469597 eV minimum distance = 2.33556268943023 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.015441244890557069 Energy: 1.3919220244721404 Energy: 1.4440903041089581 Energy: 1.391922024472558 Energy: 1.0447929446722521 Energy: 1.323413068362171 Energy: 0.24355273400935604 Energy: 1.323413068362171 Energy: 0.015441244890557069 Energy: 1.3919220244721404 Energy: 1.447510089553838 Energy: 1.3919220244721404 Energy: 1.0447929446726947 Energy: 1.323413068362171 Energy: 0.24355273401021602 Energy: 1.323413068362171 Energy: 0.015441244890557069 Energy: 1.3919220244712558 Energy: 1.3895235232906809 Energy: 1.3919220244721404 Energy: 1.0447929446722521 Energy: 1.323413068362171 Energy: 0.2435527340097983 Energy: 1.3234130683626133 minimum gb energy = 0.015441244890557069 eV minimum distance = 2.49111492930206 Angstroms sigma value = 1