Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.044650763273239 cohesive_energy=3.360264252983419 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 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: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.5018814232722744 Energy: 0.715898848139448 Energy: 0.5018814232722744 Energy: 0.715898848139448 Energy: 0.5018814232722744 Energy: 0.7158988481389749 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.5018814232722744 Energy: 0.715898848139448 Energy: 0.5018814232722744 Energy: 0.6897451330048651 Energy: 0.5018814232722744 Energy: 0.7158988481391976 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.010383087669726714 Energy: 0.5018814232722744 Energy: 0.5018814232722744 Energy: 0.7158988481389749 Energy: 0.5018814232722744 Energy: 0.7158988481391976 Energy: 0.5018814232725249 Energy: 0.7158988481387244 minimum gb energy = 0.010383087669726714 eV minimum distance = 2.60747464544258 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6474056336540617 Energy: 0.596432899880646 Energy: 0.6474056336546649 Energy: 0.596432899880646 Energy: 0.6474056336540617 Energy: 0.596432899881852 Energy: 0.6802785599995367 Energy: 0.5595891052890672 Energy: 0.6802785599995367 Energy: 0.5595891052890672 Energy: 0.6802785599989335 Energy: 0.5595891052890672 Energy: 0.6120377206967236 Energy: 0.6155734922368089 Energy: 0.6120377206979296 Energy: 0.6155734921222877 Energy: 0.6120377206967236 Energy: 0.6155734918130694 Energy: 0.6484761958500046 Energy: 0.5879946680768252 Energy: 0.6484761958506077 Energy: 0.5879946680738101 Energy: 0.6484761958500046 Energy: 0.5879946680768252 Energy: 0.6181509596073138 Energy: 0.6415307417639953 Energy: 0.6181509596067107 Energy: 0.6415307417639953 Energy: 0.6181509596067107 Energy: 0.6415307417633923 Energy: 0.6607699754924338 Energy: 0.5845048101008687 Energy: 0.660769975493037 Energy: 0.5845048101002658 Energy: 0.660769975493037 Energy: 0.5845048101020749 Energy: 0.5829595402706742 Energy: 0.6486850082374922 Energy: 0.5829595402694682 Energy: 0.6486850082374922 Energy: 0.5829595402724833 Energy: 0.6486850082374922 Energy: 0.598988779403557 Energy: 0.6761006137505245 Energy: 0.598988779403557 Energy: 0.6761006137511276 Energy: 0.5989887794029541 Energy: 0.6761006137511276 Energy: 0.6512904909951132 Energy: 0.6412298038182214 Energy: 0.6512904909957162 Energy: 0.6412298038182214 Energy: 0.6512904909957162 Energy: 0.6412298038176183 Energy: 0.5558246550313184 Energy: 0.6611364564578222 Energy: 0.5558246550307153 Energy: 0.6611353802559229 Energy: 0.5558246550313184 Energy: 0.6611328887225814 Energy: 0.6450999813054451 Energy: 0.5806860302507609 Energy: 0.645099981304842 Energy: 0.5806860302507609 Energy: 0.6450999813054451 Energy: 0.5806860302507609 Energy: 0.5383871478548903 Energy: 0.6635609702721212 Energy: 0.5383871478554931 Energy: 0.6635609702727242 Energy: 0.5383871478548903 Energy: 0.6635609702727242 Energy: 0.6547189005500952 Energy: 0.5341130294375297 Energy: 0.6547189005500952 Energy: 0.5341130294375297 Energy: 0.654718900549492 Energy: 0.5341130294375297 Energy: 0.5870924794984891 Energy: 0.5963969708833284 Energy: 0.5870924794984891 Energy: 0.5963969708839315 Energy: 0.587092479499092 Energy: 0.5963969708833284 Energy: 0.6910424091430155 Energy: 0.5619275620084428 Energy: 0.6910424091430155 Energy: 0.5619275620084428 Energy: 0.6910424091430155 Energy: 0.5619275620090458 Energy: 0.6930656421856713 Energy: 0.6376195800158148 Energy: 0.6930656421862744 Energy: 0.6376195800158148 Energy: 0.6930656421856713 Energy: 0.6376195800158148 Energy: 0.6432305907095989 Energy: 0.6176509064231257 Energy: 0.6432305907095989 Energy: 0.6176509064213166 Energy: 0.6432305907095989 Energy: 0.6176509064219198 Energy: 0.6461691748190805 Energy: 0.6007510330568778 Energy: 0.6461691748190805 Energy: 0.6007510330568778 Energy: 0.6461691748190805 Energy: 0.6007510330568778 Energy: 0.6221108217120331 Energy: 0.5980837323276541 Energy: 0.6221108217114302 Energy: 0.5980837323282571 Energy: 0.622110821708415 Energy: 0.5980837323276541 Energy: 0.6252046249752021 Energy: 0.5838347259052518 Energy: 0.6252046249752021 Energy: 0.5838347259058548 Energy: 0.6252046249745992 Energy: 0.5838347259058548 Energy: 0.563161751988009 Energy: 0.658354327941347 Energy: 0.5631617519874058 Energy: 0.6583543279407438 Energy: 0.563161751988009 Energy: 0.658354327941347 Energy: 0.6456823636613722 Energy: 0.6383305624229991 Energy: 0.6456823636625783 Energy: 0.6383305624223959 Energy: 0.6456823636619752 Energy: 0.6383305624229991 Energy: 0.5599925824212989 Energy: 0.665535750565303 Energy: 0.559992582422505 Energy: 0.6655357505647 Energy: 0.5599925824219021 Energy: 0.6655357505647 minimum gb energy = 0.5341130294375297 eV minimum distance = 2.55706464896027 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.703374467752324 Energy: 0.6536555466865538 Energy: 0.6827863965243982 Energy: 0.6536555466865538 Energy: 0.703374467752324 Energy: 0.6536555466862108 Energy: 0.6430128584607632 Energy: 0.5895476471255628 Energy: 0.6430128584611061 Energy: 0.589547647124877 Energy: 0.6430128584604202 Energy: 0.5895476471259059 Energy: 0.565973520435326 Energy: 0.5909344426570817 Energy: 0.5659735204342969 Energy: 0.5909344426570817 Energy: 0.5659735204349831 Energy: 0.5909344426567388 Energy: 0.6585851544520342 Energy: 0.6777634536779669 Energy: 0.6585851544516912 Energy: 0.6777634536783098 Energy: 0.6585851544516912 Energy: 0.6777634536786528 Energy: 0.616919477574451 Energy: 0.6238584305235242 Energy: 0.616919477574451 Energy: 0.6238584305242101 Energy: 0.616919477574451 Energy: 0.6238584305242101 Energy: 0.5867158809245823 Energy: 0.5704741576650605 Energy: 0.5867158809252683 Energy: 0.5704741576582004 Energy: 0.5867158809256113 Energy: 0.5704741576726065 Energy: 0.6549657184360841 Energy: 0.6455718067820766 Energy: 0.654965718435741 Energy: 0.6455718067820766 Energy: 0.654965718435741 Energy: 0.6455718067796755 Energy: 0.5384102930482312 Energy: 0.6934117591932643 Energy: 0.5384102930482312 Energy: 0.6934117591932643 Energy: 0.5384102930478882 Energy: 0.6934117591929213 Energy: 0.5521836072404794 Energy: 0.5670407963572466 Energy: 0.5521836072411656 Energy: 0.5670407963569035 Energy: 0.5521836072411656 Energy: 0.5670407963575896 Energy: 0.5649721402963266 Energy: 0.6719902692142775 Energy: 0.5649703250467839 Energy: 0.6719902692139345 Energy: 0.5649721402959834 Energy: 0.6719902692149634 Energy: 0.6898485997452489 Energy: 0.5631894010544091 Energy: 0.689848599746621 Energy: 0.5631894010547521 Energy: 0.6898485997452489 Energy: 0.5631894010550951 Energy: 0.5662695749158531 Energy: 0.602677965489877 Energy: 0.5662700086118555 Energy: 0.6026779654881619 Energy: 0.566269574916539 Energy: 0.6026779654895339 Energy: 0.6791888848318168 Energy: 0.5495226191545387 Energy: 0.679191390799367 Energy: 0.5495226191545387 Energy: 0.6791888848328459 Energy: 0.5495226191535096 Energy: 0.6817551089374747 Energy: 0.6230462957748402 Energy: 0.6817507438280308 Energy: 0.6230830372621831 Energy: 0.6817551089374747 Energy: 0.6231825661553565 Energy: 0.6382922052469656 Energy: 0.5907233829277388 Energy: 0.6382922052469656 Energy: 0.5907233829270528 Energy: 0.6382922052466226 Energy: 0.5907233829270528 Energy: 0.5658774272640466 Energy: 0.5934763612524394 Energy: 0.5658774272647326 Energy: 0.5934763612517533 Energy: 0.5658774272647326 Energy: 0.5934763612510673 Energy: 0.6843285612167314 Energy: 0.6470140777749998 Energy: 0.6843285612163884 Energy: 0.6470140777749998 Energy: 0.6843285612177603 Energy: 0.6470140777736278 Energy: 0.6165718874176492 Energy: 0.5701689663952314 Energy: 0.6165718874176492 Energy: 0.5701689663945454 Energy: 0.6165718874169633 Energy: 0.5701689663935163 Energy: 0.5828258855391601 Energy: 0.5833139938429966 Energy: 0.5828258855398462 Energy: 0.5833139938429966 Energy: 0.5828258855391601 Energy: 0.5833139938433396 Energy: 0.6533621951757614 Energy: 0.6411978122676989 Energy: 0.6533621951757614 Energy: 0.6411978122676989 Energy: 0.6533621951757614 Energy: 0.6411978122676989 Energy: 0.5373525645662576 Energy: 0.6852076833123927 Energy: 0.5373525645666006 Energy: 0.6852076833134217 Energy: 0.5373525645662576 Energy: 0.6852076833117068 Energy: 0.5903215386653778 Energy: 0.5681430448253646 Energy: 0.5903215386646918 Energy: 0.5681430448250216 Energy: 0.5903215386657208 Energy: 0.5681430448257077 Energy: 0.5657415099358882 Energy: 0.6725070560838806 Energy: 0.5657371044222392 Energy: 0.6725070560838806 Energy: 0.5657415099362313 Energy: 0.6725070560831946 Energy: 0.6922598564147574 Energy: 0.6154937379088372 Energy: 0.6922598564144143 Energy: 0.6154937379088372 Energy: 0.6922598564147574 Energy: 0.6154937379095232 Energy: 0.5663476859611661 Energy: 0.5843680903660985 Energy: 0.5663104901200708 Energy: 0.5843680902892971 Energy: 0.5663476859611661 Energy: 0.5843680899248416 Energy: 0.690685974712653 Energy: 0.6558029620987474 Energy: 0.6740149844359905 Energy: 0.6558029620984045 Energy: 0.690685974712996 Energy: 0.6558029621001195 Energy: 0.6902237965021326 Energy: 0.6512948495829639 Energy: 0.6738890291660875 Energy: 0.651294849583307 Energy: 0.6902237965017897 Energy: 0.6512948495815919 Energy: 0.5670027689420053 Energy: 0.5902197605855909 Energy: 0.5670027689413192 Energy: 0.5902197605845619 Energy: 0.5670027689416622 Energy: 0.5902197605862769 Energy: 0.6721051749010328 Energy: 0.589450642826305 Energy: 0.6721051749017188 Energy: 0.589450642826305 Energy: 0.6721051749017188 Energy: 0.58945064282802 Energy: 0.5638967707762322 Energy: 0.7082223827463684 Energy: 0.563896770776544 Energy: 0.7082223827463684 Energy: 0.5638967707758891 Energy: 0.7082223827446533 Energy: 0.6283826583349524 Energy: 0.5672091359748473 Energy: 0.6283826583335804 Energy: 0.5672091359751903 Energy: 0.6283826583349524 Energy: 0.5672091359748473 Energy: 0.5479896302497775 Energy: 0.6458040534477323 Energy: 0.5479896302504635 Energy: 0.6458040534456742 Energy: 0.5479896302494346 Energy: 0.6458040534467032 Energy: 0.6543172308969648 Energy: 0.6411893926479619 Energy: 0.6543172308973079 Energy: 0.6411893926479619 Energy: 0.6543172308969648 Energy: 0.6411893926489909 Energy: 0.5899608890889676 Energy: 0.6349841973313863 Energy: 0.5899608890886247 Energy: 0.6349841973313863 Energy: 0.5899608890882816 Energy: 0.6349841973317293 Energy: 0.5924006030610691 Energy: 0.5705139193144168 Energy: 0.5924006030614122 Energy: 0.5705139193164748 Energy: 0.5924006030607262 Energy: 0.5705139193209339 Energy: 0.6794292451601895 Energy: 0.6601849294439319 Energy: 0.6794292451598465 Energy: 0.6601849294432458 Energy: 0.6794292451598465 Energy: 0.6601849294435888 Energy: 0.5664716289387431 Energy: 0.6192915084702105 Energy: 0.566455384011897 Energy: 0.6192915084705535 Energy: 0.5664716289390861 Energy: 0.6192915084698675 Energy: 0.6016752489450459 Energy: 0.5838996241145751 Energy: 0.601041451875828 Energy: 0.5838996241142321 Energy: 0.6016752490935036 Energy: 0.5838996241138891 Energy: 0.6818645095114153 Energy: 0.6631911931399442 Energy: 0.681860690115664 Energy: 0.6631911931382292 Energy: 0.6818645095121012 Energy: 0.6631911931382292 Energy: 0.6861539043638942 Energy: 0.5450057492350642 Energy: 0.6861539043628652 Energy: 0.5450057492354071 Energy: 0.6861539043625222 Energy: 0.5450057492360931 Energy: 0.5661799992568263 Energy: 0.5502637196308868 Energy: 0.5661799992557973 Energy: 0.5502637196295147 Energy: 0.5661799992568263 Energy: 0.5502637196312298 minimum gb energy = 0.5373525645662576 eV minimum distance = 2.65177557835869 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6216105362221487 Energy: 0.6239588941166768 Energy: 0.6216105362221487 Energy: 0.6239588941174716 Energy: 0.6216105362221487 Energy: 0.6239588941174716 Energy: 0.6430367014746816 Energy: 0.5934290520340193 Energy: 0.6430367014746816 Energy: 0.5934290520340193 Energy: 0.6430367014746816 Energy: 0.5934290520340193 Energy: 0.6025777698576915 Energy: 0.6219271763308961 Energy: 0.6025777698576915 Energy: 0.6219271763316909 Energy: 0.6025777698576915 Energy: 0.6219271763324856 Energy: 0.6203072773584427 Energy: 0.5602506468314773 Energy: 0.6203072773584427 Energy: 0.5602506468314773 Energy: 0.6203072773584427 Energy: 0.5602506468314773 Energy: 0.638232231369386 Energy: 0.6194832730112512 Energy: 0.638232231369386 Energy: 0.6194832730112512 Energy: 0.638232231369386 Energy: 0.6194832730112512 Energy: 0.637048400427757 Energy: 0.6250043921128857 Energy: 0.637048400427757 Energy: 0.6250043921200203 Energy: 0.637048400427757 Energy: 0.6250043921343255 Energy: 0.6190055889588929 Energy: 0.6045329706225938 Energy: 0.6190055889580981 Energy: 0.6045329706225938 Energy: 0.6190055889580981 Energy: 0.6045329706233885 Energy: 0.5781556215922937 Energy: 0.618500595902519 Energy: 0.5781556215922937 Energy: 0.6185005959033137 Energy: 0.5781556215922937 Energy: 0.6185005959017245 Energy: 0.7020882540327413 Energy: 0.5603547851780751 Energy: 0.702088254033536 Energy: 0.5603547851780751 Energy: 0.7020882540319646 Energy: 0.5603547851780751 Energy: 0.5658012527795877 Energy: 0.7017272987864063 Energy: 0.5658012527795877 Energy: 0.7017272987864063 Energy: 0.5658012527795877 Energy: 0.7017272987856116 Energy: 0.6767240229129416 Energy: 0.5510811994269564 Energy: 0.6767240229137365 Energy: 0.5510811994269564 Energy: 0.6767240229129416 Energy: 0.5510811994269564 Energy: 0.623403737149292 Energy: 0.6245496032078389 Energy: 0.623403737149292 Energy: 0.6245496032078389 Energy: 0.623403737149292 Energy: 0.6245496032078389 Energy: 0.6510505795355432 Energy: 0.5927255218300443 Energy: 0.6510505795363379 Energy: 0.5927255218300443 Energy: 0.6510505795371325 Energy: 0.5927255218300443 Energy: 0.6131468917471585 Energy: 0.5808346889411082 Energy: 0.6131468917471585 Energy: 0.5808346889419028 Energy: 0.6131468917463638 Energy: 0.5808346889458585 Energy: 0.6292442417218284 Energy: 0.6180353961681828 Energy: 0.6292442417218284 Energy: 0.6180353961681828 Energy: 0.6292442417218284 Energy: 0.6180353961681828 Energy: 0.6387851795536693 Energy: 0.6206027323957637 Energy: 0.638785179554464 Energy: 0.6206027323957637 Energy: 0.6387851795536693 Energy: 0.6206027323957637 Energy: 0.63850852852882 Energy: 0.6711276851753101 Energy: 0.63850852852882 Energy: 0.6711276851745154 Energy: 0.63850852852882 Energy: 0.6711276851753101 Energy: 0.6200532894527637 Energy: 0.6064746201374023 Energy: 0.6200532894527637 Energy: 0.6064746201374023 Energy: 0.620053289451969 Energy: 0.6064746201374023 minimum gb energy = 0.5510811994269564 eV minimum distance = 2.55723471672708 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5166782937543403 Energy: 0.530833578110138 Energy: 0.5166782937543403 Energy: 0.5308335781106094 Energy: 0.5166782937538689 Energy: 0.530833578110138 Energy: 0.6265520725883522 Energy: 0.631735078967391 Energy: 0.6265520725888237 Energy: 0.631735078967391 Energy: 0.6265520725878808 Energy: 0.6317350789678622 Energy: 0.5096942738386128 Energy: 0.6309063838961527 Energy: 0.5096942738381413 Energy: 0.6309063838961527 Energy: 0.5096942738381413 Energy: 0.6309063838952099 Energy: 0.5376975270044859 Energy: 0.5096236656783903 Energy: 0.5376975270044859 Energy: 0.5096236656788619 Energy: 0.5376975270049574 Energy: 0.5096236656783903 Energy: 0.5096824505910508 Energy: 0.5174740072991051 Energy: 0.5096824505910508 Energy: 0.5174740072901483 Energy: 0.5096824505915223 Energy: 0.5174740073024049 Energy: 0.5097471399526619 Energy: 0.5168245912759879 Energy: 0.5097471399526619 Energy: 0.5168245912759879 Energy: 0.5097471399521905 Energy: 0.5168245912755164 Energy: 0.5376222864448293 Energy: 0.5096224920624379 Energy: 0.5376222864453007 Energy: 0.5096224920624379 Energy: 0.5376222864453007 Energy: 0.5096224920629092 Energy: 0.5097071049191498 Energy: 0.6309200451554733 Energy: 0.5097071049177356 Energy: 0.6309200451550018 Energy: 0.5097071049182069 Energy: 0.6309200451550018 Energy: 0.6265292072252382 Energy: 0.631670229156696 Energy: 0.6265292072257095 Energy: 0.631670229156696 Energy: 0.6265292072247667 Energy: 0.631670229156696 Energy: 0.5166782937538689 Energy: 0.5308335781106094 Energy: 0.5166782937538689 Energy: 0.5308335781110808 Energy: 0.5166782937538689 Energy: 0.5308335781106094 Energy: 0.6265520725878808 Energy: 0.631735078967391 Energy: 0.6265520725878808 Energy: 0.6317350789678622 Energy: 0.6265520725878808 Energy: 0.6317350789678622 Energy: 0.5096942738390842 Energy: 0.6309063838952099 Energy: 0.5096942738381413 Energy: 0.6309063838970956 Energy: 0.5096942738390842 Energy: 0.6309063838961527 Energy: 0.5376975270049574 Energy: 0.5096236656788619 Energy: 0.5376975270044859 Energy: 0.5096236656783903 Energy: 0.5376975270044859 Energy: 0.5096236656783903 Energy: 0.5096824505910508 Energy: 0.5174740073617814 Energy: 0.5096824505910508 Energy: 0.5174740073443391 Energy: 0.5096824505905795 Energy: 0.5174740073443391 Energy: 0.5097471399517189 Energy: 0.5168245912764592 Energy: 0.5097471399517189 Energy: 0.5168245912764592 Energy: 0.5097471399517189 Energy: 0.5168245912755164 Energy: 0.5376222864453007 Energy: 0.5096224920624379 Energy: 0.5376222864453007 Energy: 0.5096224920624379 Energy: 0.5376222864448293 Energy: 0.5096224920624379 Energy: 0.5097071049177356 Energy: 0.6309200451554733 Energy: 0.5097071049186784 Energy: 0.6309200451550018 Energy: 0.5097071049186784 Energy: 0.6309200451554733 Energy: 0.6265292072257095 Energy: 0.631670229156696 Energy: 0.6265292072252382 Energy: 0.631670229156696 Energy: 0.6265292072257095 Energy: 0.6316702291571674 Energy: 0.5166782937538689 Energy: 0.5308335781106094 Energy: 0.5166782937538689 Energy: 0.530833578110138 Energy: 0.5166782937543403 Energy: 0.5308335781110808 Energy: 0.6265520725883522 Energy: 0.631735078967391 Energy: 0.6265520725874094 Energy: 0.631735078967391 Energy: 0.6265520725874094 Energy: 0.6317350789678622 Energy: 0.5096942738381413 Energy: 0.6309063838966242 Energy: 0.5096942738386128 Energy: 0.6309063838961527 Energy: 0.5096942738381413 Energy: 0.6309063838966242 Energy: 0.5376975270044859 Energy: 0.5096236656788619 Energy: 0.5376975270049574 Energy: 0.5096236656788619 Energy: 0.5376975270049574 Energy: 0.5096236656788619 Energy: 0.5096824505905795 Energy: 0.5174740074819272 Energy: 0.5096824505910508 Energy: 0.5174740074814557 Energy: 0.5096824505915223 Energy: 0.5174740074800415 Energy: 0.5097471399512475 Energy: 0.5168245912769306 Energy: 0.5097471399507763 Energy: 0.5168245912759879 Energy: 0.5097471399503047 Energy: 0.5168245912759879 Energy: 0.5376222864448293 Energy: 0.5096224920624379 Energy: 0.5376222864448293 Energy: 0.5096224920624379 Energy: 0.5376222864453007 Energy: 0.5096224920624379 Energy: 0.5097071049182069 Energy: 0.6309200451550018 Energy: 0.5097071049182069 Energy: 0.6309200451554733 Energy: 0.5097071049182069 Energy: 0.6309200451554733 Energy: 0.6265292072261809 Energy: 0.631670229156696 Energy: 0.6265292072266524 Energy: 0.631670229156696 Energy: 0.6265292072247667 Energy: 0.631670229156696 Energy: 0.5166782937533974 Energy: 0.530833578110138 Energy: 0.5166782937533974 Energy: 0.5308335781106094 Energy: 0.5166782937538689 Energy: 0.5308335781106094 Energy: 0.6265520725888237 Energy: 0.631735078967391 Energy: 0.626552072589295 Energy: 0.631735078967391 Energy: 0.6265520725878808 Energy: 0.6317350789678622 Energy: 0.5096942738381413 Energy: 0.6309063838952099 Energy: 0.5096942738376699 Energy: 0.6309063838961527 Energy: 0.5096942738395555 Energy: 0.6309063838966242 minimum gb energy = 0.5096224920624379 eV minimum distance = 2.56403367280175 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.5280327327752713 Energy: 0.5112648263866648 Energy: 0.528032732776426 Energy: 0.5112648263878196 Energy: 0.528032732776426 Energy: 0.5112648263866648 Energy: 0.5343614237293972 Energy: 0.5225947439653481 Energy: 0.5343614234743094 Energy: 0.5225947439653481 Energy: 0.5343614237951898 Energy: 0.5225947439653481 Energy: 0.5334899152610358 Energy: 0.5763466381649572 Energy: 0.5334899152610358 Energy: 0.5763466381626479 Energy: 0.5334899152621905 Energy: 0.5763466381638026 Energy: 0.633705664292638 Energy: 0.5056924230409042 Energy: 0.633705664292638 Energy: 0.5056924230409042 Energy: 0.633705664292638 Energy: 0.5056924230409042 Energy: 0.6385167545663265 Energy: 0.5037563011487658 Energy: 0.6385167545663265 Energy: 0.5037563011487658 Energy: 0.6385167545663265 Energy: 0.5037563011487658 Energy: 0.6061213165047645 Energy: 0.6232103606100708 Energy: 0.6061213165047645 Energy: 0.6232103606112255 Energy: 0.6061213165047645 Energy: 0.6232103606100708 Energy: 0.5742413899826397 Energy: 0.5245710646200185 Energy: 0.5742413899826397 Energy: 0.5245710646200185 Energy: 0.5742413899814851 Energy: 0.5245710646200185 Energy: 0.5303204570653406 Energy: 0.5130498172207582 Energy: 0.5303204570653406 Energy: 0.5130498172207582 Energy: 0.5303204570653406 Energy: 0.5130498172207582 Energy: 0.6414187931271871 Energy: 0.5303405651886076 Energy: 0.6414187931283417 Energy: 0.5303405651874528 Energy: 0.6414187931271871 Energy: 0.5303405651874528 Energy: 0.5587433867343132 Energy: 0.6346315470424047 Energy: 0.5587433867343132 Energy: 0.6346315470424047 Energy: 0.5587433867343132 Energy: 0.6346315470412499 Energy: 0.660002680589639 Energy: 0.5032215588963338 Energy: 0.5111772382974551 Energy: 0.503221558895179 Energy: 0.5111772382986097 Energy: 0.5032215588963338 Energy: 0.616372836169394 Energy: 0.5793151183446897 Energy: 0.616372836169394 Energy: 0.5793151183389161 Energy: 0.616372836169394 Energy: 0.5793151183239048 minimum gb energy = 0.503221558895179 eV minimum distance = 2.54989965846244 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5434995003392953 Energy: 0.5121343801201143 Energy: 0.5434995003392953 Energy: 0.5121343801197898 Energy: 0.5434995003392953 Energy: 0.5121343801197898 Energy: 0.5269612335710645 Energy: 0.5115562101387554 Energy: 0.5269612335720378 Energy: 0.5254403922495275 Energy: 0.5269612335717134 Energy: 0.5115562101423242 Energy: 0.481491529195992 Energy: 0.6314772422297903 Energy: 0.4814915291966409 Energy: 0.6314772422216791 Energy: 0.481491529195992 Energy: 0.6314772422109723 Energy: 0.4783572000134719 Energy: 0.47514060302223726 Energy: 0.4783572000134719 Energy: 0.47514060302223726 Energy: 0.47835720001314747 Energy: 0.4751406030209395 Energy: 0.522401628013767 Energy: 0.5001535315671689 Energy: 0.522401628013767 Energy: 0.5001535315671689 Energy: 0.5224016280140915 Energy: 0.5001535315671689 Energy: 0.538809130503102 Energy: 0.5223489033215909 Energy: 0.5388091304810395 Energy: 0.5583328150196165 Energy: 0.5388091304424598 Energy: 0.542795885158328 Energy: 0.5027321315966163 Energy: 0.5374086145012654 Energy: 0.5027321315969409 Energy: 0.5374086145012654 Energy: 0.5027321315969409 Energy: 0.5374086145019144 Energy: 0.46204770381934945 Energy: 0.5400481414952946 Energy: 0.46204770381934945 Energy: 0.540048141495619 Energy: 0.46204770381934945 Energy: 0.5400481414952946 Energy: 0.5977507202788733 Energy: 0.5006202137172532 Energy: 0.5977507202798467 Energy: 0.5006202137221198 Energy: 0.5977507202753044 Energy: 0.5006202137237421 Energy: 0.522070280563241 Energy: 0.627913460938312 Energy: 0.522070280563241 Energy: 0.6279134609370142 Energy: 0.522070280563241 Energy: 0.6279134609415565 Energy: 0.47969601171891924 Energy: 0.47281974670576515 Energy: 0.4796960117192437 Energy: 0.4728197467047919 Energy: 0.4796960117192437 Energy: 0.47281974670576515 Energy: 0.49870220349802225 Energy: 0.5479217045320435 Energy: 0.49870220349802225 Energy: 0.5479217045313945 Energy: 0.49870220349802225 Energy: 0.54792170453107 Energy: 0.5162741007884942 Energy: 0.5379700214538184 Energy: 0.5162741007862232 Energy: 0.5379700214531695 Energy: 0.5162741007881698 Energy: 0.5379700214534939 Energy: 0.5526532735888695 Energy: 0.6410997909400017 Energy: 0.552653273588545 Energy: 0.6410997909400017 Energy: 0.552653273588545 Energy: 0.6410997909403261 Energy: 0.47374718583260844 Energy: 0.5219582641098431 Energy: 0.4737471858319596 Energy: 0.5219582641095188 Energy: 0.47374718583260844 Energy: 0.5219582641098431 Energy: 0.49738473081166 Energy: 0.5198371170964966 Energy: 0.49738473081555346 Energy: 0.519837117096821 Energy: 0.49738473082139345 Energy: 0.5198371170942255 Energy: 0.61509328303026 Energy: 0.4731193722096848 Energy: 0.61509328303026 Energy: 0.4731193722096848 Energy: 0.61509328303026 Energy: 0.47311937220936034 Energy: 0.4787214143830584 Energy: 0.49839832683324287 Energy: 0.47872141438273386 Energy: 0.4983983268335674 Energy: 0.4787214143824095 Energy: 0.49839832683324287 Energy: 0.4646931535912478 Energy: 0.6127238915860772 Energy: 0.4646931535918966 Energy: 0.6127238915847794 Energy: 0.4646931535912478 Energy: 0.6127238915857527 Energy: 0.6126891640469272 Energy: 0.5758698363316658 Energy: 0.6126891640462783 Energy: 0.5758698363316658 Energy: 0.6126891640469272 Energy: 0.5625126548224396 Energy: 0.46473158718500895 Energy: 0.6098327896785182 Energy: 0.4647315871846845 Energy: 0.6098327896788426 Energy: 0.4647315871853334 Energy: 0.6098327896785182 Energy: 0.4787663486797061 Energy: 0.4983971932976291 Energy: 0.4787663486800305 Energy: 0.4983971932976291 Energy: 0.47876634868035495 Energy: 0.4983971932979535 Energy: 0.6151043790298625 Energy: 0.47312680345388824 Energy: 0.6151043790298625 Energy: 0.47312680345388824 Energy: 0.6151043790305114 Energy: 0.4731268034545372 Energy: 0.5035604990363819 Energy: 0.5353655010732703 Energy: 0.5035604990357331 Energy: 0.5353655010492613 Energy: 0.5035604990357331 Energy: 0.5353655010161675 Energy: 0.4737241298888095 Energy: 0.5221505574478918 Energy: 0.4737241298894584 Energy: 0.5221505574478918 Energy: 0.4737241298897829 Energy: 0.5221505574482164 Energy: 0.5526144611640251 Energy: 0.5506564066904891 Energy: 0.5526144611640251 Energy: 0.5506564066901646 Energy: 0.5526144611637006 Energy: 0.5506564066898402 Energy: 0.5162894931955467 Energy: 0.5377913722589686 Energy: 0.5162894932007379 Energy: 0.5377913722596175 Energy: 0.5162894932056047 Energy: 0.537791372259293 Energy: 0.4987681363571061 Energy: 0.5091645882093822 Energy: 0.4987681363567816 Energy: 0.5091645882106799 Energy: 0.4987681363574305 Energy: 0.5091645882100311 Energy: 0.47970370790265415 Energy: 0.4728116660139973 Energy: 0.4797037079023297 Energy: 0.4728116660139973 Energy: 0.47970370790265415 Energy: 0.4728116660139973 Energy: 0.5225382293606837 Energy: 0.539361601806701 Energy: 0.5225382293610081 Energy: 0.5393616023813863 Energy: 0.5225382293610081 Energy: 0.5393616019075747 Energy: 0.5965728019617708 Energy: 0.5283553924317178 Energy: 0.5965728019637174 Energy: 0.5283553924310689 Energy: 0.5965728019624196 Energy: 0.5283553924307445 Energy: 0.4620510254786586 Energy: 0.533480464273497 Energy: 0.46205102547833415 Energy: 0.5334804642728482 Energy: 0.46205102547833415 Energy: 0.5334804642731726 Energy: 0.5026830302952066 Energy: 0.5377505958002263 Energy: 0.5026830302965045 Energy: 0.5377505958005508 Energy: 0.5026830302978023 Energy: 0.5377505958002263 Energy: 0.5292880733963212 Energy: 0.5430870573067047 Energy: 0.5292803508194448 Energy: 0.5430870573076781 Energy: 0.5292810814963232 Energy: 0.5430870573070292 Energy: 0.5223161753613828 Energy: 0.4994631065400683 Energy: 0.5223161753620317 Energy: 0.4994631065400683 Energy: 0.5223161753617072 Energy: 0.4994631065410417 Energy: 0.4783569849878582 Energy: 0.47520870268207815 Energy: 0.47835698498753376 Energy: 0.47520870268434934 Energy: 0.4783569849878582 Energy: 0.4752087026840249 Energy: 0.48141057131690174 Energy: 0.6310889930418498 Energy: 0.48141057131755066 Energy: 0.6310889930418498 Energy: 0.4814105713178751 Energy: 0.6310889930428232 Energy: 0.5274195212357843 Energy: 0.5190609032958984 Energy: 0.5274195212364332 Energy: 0.5190609032952495 Energy: 0.5274195212364332 Energy: 0.5190609032952495 Energy: 0.5434995003399441 Energy: 0.5121343801194654 Energy: 0.5434995003399441 Energy: 0.5121343801191409 Energy: 0.5434995003399441 Energy: 0.5121343801194654 Energy: 0.5269612335697667 Energy: 0.5115562101455687 Energy: 0.5269612335704156 Energy: 0.5115562101371331 Energy: 0.5269612335707401 Energy: 0.511556210144271 Energy: 0.481491529195992 Energy: 0.6314772415380384 Energy: 0.48149152919566757 Energy: 0.6314772415341745 Energy: 0.48149152919566757 Energy: 0.6314772415442029 Energy: 0.4783572000134719 Energy: 0.47514060302450845 Energy: 0.4783572000134719 Energy: 0.47514060302321065 Energy: 0.47835720001379634 Energy: 0.4751406030248329 Energy: 0.522401628013767 Energy: 0.50015353156652 Energy: 0.5224016280140915 Energy: 0.5001535315668444 Energy: 0.5224016280140915 Energy: 0.5001535315668444 minimum gb energy = 0.46204770381934945 eV minimum distance = 2.63492619346499 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.3279065605608783 Energy: 0.31921601391721066 Energy: 0.28256968786214626 Energy: 0.3192160139164721 Energy: 0.3279065605601397 Energy: 0.3192160139164721 Energy: 0.37854922587872225 Energy: 0.31476126869011467 Energy: 0.37854922587872225 Energy: 0.31476126869011467 Energy: 0.3785492258779837 Energy: 0.3147612686908532 Energy: 0.335964508810558 Energy: 0.4661557086302731 Energy: 0.335964508810558 Energy: 0.4661557086066393 Energy: 0.3359645088112965 Energy: 0.46615570858152816 Energy: 0.3209576100576581 Energy: 0.28268048001831286 Energy: 0.3209576100576581 Energy: 0.28268048001905144 Energy: 0.3209576100576581 Energy: 0.28268048001757434 Energy: 0.34098901533394127 Energy: 0.37529520440830244 Energy: 0.34098901533320264 Energy: 0.37529520440830244 Energy: 0.34098901533320264 Energy: 0.375295204409041 Energy: 0.28281048871514486 Energy: 0.3401662741232942 Energy: 0.28281048871514486 Energy: 0.3401662741225892 Energy: 0.28281048871514486 Energy: 0.3401662741232942 Energy: 0.2827981931416152 Energy: 0.3066927833947143 Energy: 0.2827981931416152 Energy: 0.3066927833947143 Energy: 0.2827981931416152 Energy: 0.3066927833947143 Energy: 0.3760073884836487 Energy: 0.3403278463327248 Energy: 0.3760073884843872 Energy: 0.3403278463327248 Energy: 0.3760073884836487 Energy: 0.34032784633346336 Energy: 0.32083261395888746 Energy: 0.28268655692334416 Energy: 0.32083261395888746 Energy: 0.28268655692334416 Energy: 0.32083261395888746 Energy: 0.28268655692482125 Energy: 0.30271857578079414 Energy: 0.3727490125399951 Energy: 0.30271857578079414 Energy: 0.3727490125399951 Energy: 0.30271857578079414 Energy: 0.3727490125392565 Energy: 0.34197253548654516 Energy: 0.31481113036740194 Energy: 0.34197253548654516 Energy: 0.31481113036814057 Energy: 0.34197253548654516 Energy: 0.31481113036740194 Energy: 0.3279065605601397 Energy: 0.3192160139157335 Energy: 0.28256968786140774 Energy: 0.3192160139157335 Energy: 0.3279065605608783 Energy: 0.3192160139157335 Energy: 0.3785492258779837 Energy: 0.31476126869011467 Energy: 0.3785492258779837 Energy: 0.31476126868937604 Energy: 0.3785492258779837 Energy: 0.3147612686908532 Energy: 0.335964508810558 Energy: 0.46615570873729717 Energy: 0.3359645088112965 Energy: 0.4661557086893243 Energy: 0.335964508810558 Energy: 0.4661557087151404 Energy: 0.3209576100576581 Energy: 0.28268048001757434 Energy: 0.3209576100576581 Energy: 0.28268048001757434 Energy: 0.3209576100576581 Energy: 0.28268048001683577 Energy: 0.34098901533320264 Energy: 0.375295204409041 Energy: 0.34098901533246406 Energy: 0.375295204409041 Energy: 0.34098901533320264 Energy: 0.37529520440830244 Energy: 0.2828104887144063 Energy: 0.34016627412185063 Energy: 0.28281048871514486 Energy: 0.34016627412185063 Energy: 0.28281048871514486 Energy: 0.3401662741225892 Energy: 0.2827981931416152 Energy: 0.3066927833947143 Energy: 0.2827981931416152 Energy: 0.3066927833947143 Energy: 0.2827981931416152 Energy: 0.30669278339397565 Energy: 0.3760073884829101 Energy: 0.3403278463327248 Energy: 0.3760073884843872 Energy: 0.3403278463327248 Energy: 0.3760073884829101 Energy: 0.34032784633346336 minimum gb energy = 0.28256968786140774 eV minimum distance = 2.74662625494116 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.49564798174949487 Energy: 0.4956032773617732 Energy: 0.49564798174678987 Energy: 0.4956032773617732 Energy: 0.49564798174895386 Energy: 0.4956032773623142 Energy: 0.5657425693247388 Energy: 0.47982978252876857 Energy: 0.5657425693241979 Energy: 0.47982978252876857 Energy: 0.565742569333395 Energy: 0.47982978252876857 Energy: 0.502487666358991 Energy: 0.5961409681257571 Energy: 0.502487666358991 Energy: 0.5961409681268393 Energy: 0.5024876663595321 Energy: 0.5961409681268393 Energy: 0.5674047376640289 Energy: 0.494174317790478 Energy: 0.5674047377067687 Energy: 0.4941743177899369 Energy: 0.5674047376970306 Energy: 0.4941743177899369 Energy: 0.48623361990186825 Energy: 0.43618091875998904 Energy: 0.48623361990132735 Energy: 0.43618091875998904 Energy: 0.48623361990078634 Energy: 0.43618091875998904 Energy: 0.5089178961784456 Energy: 0.4711961842015871 Energy: 0.508918280488838 Energy: 0.4711961842015871 Energy: 0.5089182763087008 Energy: 0.4711961842021281 Energy: 0.4530928978947488 Energy: 0.49979513297965933 Energy: 0.4530928978947488 Energy: 0.4997951339606086 Energy: 0.45309289789366675 Energy: 0.4997951339671006 Energy: 0.48545191185437836 Energy: 0.43522088420577565 Energy: 0.48545191185437836 Energy: 0.43522088420523464 Energy: 0.4854519118538374 Energy: 0.43522088420577565 Energy: 0.4865749063550176 Energy: 0.4329673213824484 Energy: 0.48657490635447653 Energy: 0.4329673213819074 Energy: 0.48657490635447653 Energy: 0.4329673213824484 Energy: 0.4357168547082555 Energy: 0.5676353044289266 Energy: 0.4357168547082555 Energy: 0.5676353044283856 Energy: 0.4357168547077145 Energy: 0.5676353044278446 Energy: 0.570254994319939 Energy: 0.572065599057999 Energy: 0.570254994319939 Energy: 0.572065599057999 Energy: 0.570254994319939 Energy: 0.572065599057999 Energy: 0.47890934242467936 Energy: 0.4378432855078117 Energy: 0.4789093424252203 Energy: 0.4378432855088937 Energy: 0.47890934242576133 Energy: 0.4378432855088937 Energy: 0.5015657811085075 Energy: 0.4889172613050851 Energy: 0.5015657811079666 Energy: 0.4889172613045442 Energy: 0.5015657811085075 Energy: 0.4889172613050851 Energy: 0.5103495000199153 Energy: 0.5833436273849647 Energy: 0.5103495000193744 Energy: 0.5833436273855057 Energy: 0.5103495000193744 Energy: 0.5833436273844238 Energy: 0.5517599451648554 Energy: 0.48176906267818886 Energy: 0.5517599451761673 Energy: 0.48176906267818886 Energy: 0.5517599451783314 Energy: 0.48176906267818886 Energy: 0.49765255614778897 Energy: 0.492477882208765 Energy: 0.497652556147248 Energy: 0.49247788220930594 Energy: 0.49765255614670695 Energy: 0.49247788220930594 Energy: 0.4542324422385985 Energy: 0.4794508529808054 Energy: 0.45423244223913944 Energy: 0.4794508529808054 Energy: 0.45423244223913944 Energy: 0.4794508529808054 Energy: 0.5779037373457782 Energy: 0.5815415031134544 Energy: 0.5779037373457782 Energy: 0.581541503086404 Energy: 0.577903737346319 Energy: 0.5815415030734198 Energy: 0.504792013749914 Energy: 0.47318997961666137 Energy: 0.5047920137526191 Energy: 0.4731899796172024 Energy: 0.5047920137412579 Energy: 0.47318997961666137 Energy: 0.49056634902172724 Energy: 0.45726914141791064 Energy: 0.49056634902226826 Energy: 0.45726914141899266 Energy: 0.49056634902226826 Energy: 0.45726914141845165 Energy: 0.4357792162280183 Energy: 0.4781144458210563 Energy: 0.43577921622747723 Energy: 0.4781144458210563 Energy: 0.43577921622747723 Energy: 0.4781144458210563 Energy: 0.47750098630691723 Energy: 0.56672917009325 Energy: 0.4775009863048023 Energy: 0.5667291706616056 Energy: 0.47750098630691723 Energy: 0.5667291716036512 Energy: 0.486711470933537 Energy: 0.4963365519381026 Energy: 0.486711470932996 Energy: 0.49633655195325094 Energy: 0.48671147093407796 Energy: 0.4963365519646121 Energy: 0.4886317777269274 Energy: 0.4611763317482939 Energy: 0.48863177772746846 Energy: 0.46117633174937595 Energy: 0.4886317777263864 Energy: 0.46117633174883493 Energy: 0.43638895617542656 Energy: 0.5608622492286222 Energy: 0.43638895617434453 Energy: 0.5608622492297041 Energy: 0.43638895617488555 Energy: 0.5608622492297041 Energy: 0.6570423284933316 Energy: 0.5747229063615948 Energy: 0.6570423284933316 Energy: 0.5747229063615948 Energy: 0.6570423284938726 Energy: 0.5747229063615948 minimum gb energy = 0.4329673213819074 eV minimum distance = 2.62389036179846 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5403344666644461 Energy: 0.46865135635857835 Energy: 0.5403344666640197 Energy: 0.46865135635857835 Energy: 0.5403344666640197 Energy: 0.46865135635857835 Energy: 0.5768064740484629 Energy: 0.5234794538632128 Energy: 0.5768064740488892 Energy: 0.5234794538636393 Energy: 0.5768064740488892 Energy: 0.5234794538632128 Energy: 0.5953604645236088 Energy: 0.5832504014784321 Energy: 0.5953604645236088 Energy: 0.5832504014788586 Energy: 0.5953604645231825 Energy: 0.5832504014788586 Energy: 0.5544881570314516 Energy: 0.46128452520090985 Energy: 0.554488157029746 Energy: 0.46128452520048346 Energy: 0.5544881570310253 Energy: 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Energy: 0.4886982036760983 Energy: 0.4701136082945909 Energy: 0.4886982036766968 Energy: 0.47011360829429166 Energy: 0.6286413432661715 Energy: 0.4631186190483451 Energy: 0.6286413427334119 Energy: 0.4631186190486443 Energy: 0.6286413432042524 Energy: 0.4631186190483451 Energy: 0.6150984341207387 Energy: 0.7087730578148151 Energy: 0.6150984341225343 Energy: 0.708773057679306 Energy: 0.6150984341219357 Energy: 0.7087730564735442 Energy: 0.5948199755462839 Energy: 0.46976658456155 Energy: 0.5948199755462839 Energy: 0.46976658456214854 Energy: 0.5948199755456854 Energy: 0.46976658456184933 Energy: 0.4653711886684159 Energy: 0.6081268315025241 Energy: 0.4653711886672188 Energy: 0.6081268315016264 Energy: 0.4653711886669196 Energy: 0.6081268315028234 Energy: 0.6105289102003276 Energy: 0.4760094522855835 Energy: 0.6105289102000283 Energy: 0.47600945228588276 Energy: 0.6105289101997292 Energy: 0.47600945228588276 Energy: 0.512289122916481 Energy: 0.5788046989939477 Energy: 0.5122891229170796 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Energy: 0.46778953172842375 Energy: 0.6102672254916316 Energy: 0.467789531728723 Energy: 0.6102672254904346 Energy: 0.4677895317290222 Energy: 0.6102672254913324 Energy: 0.6146354806845765 Energy: 0.47531947032881355 Energy: 0.6146354806842772 Energy: 0.47531947032881355 Energy: 0.6146354806845765 Energy: 0.47531947032851435 Energy: 0.5217836857574859 Energy: 0.567589815616267 Energy: 0.5217836857568873 Energy: 0.5675898156165662 Energy: 0.5217836857571866 Energy: 0.5675898156165662 Energy: 0.5221773783885318 Energy: 0.56754109886828 Energy: 0.5221773783888312 Energy: 0.5675410988685793 Energy: 0.5221773783864371 Energy: 0.56754109886828 Energy: 0.6147044011717362 Energy: 0.4753232263954668 Energy: 0.614704401172634 Energy: 0.4753232263954668 Energy: 0.6147044011723347 Energy: 0.47532322639576613 Energy: 0.46791144579147464 Energy: 0.6099843726212246 Energy: 0.46791144579147464 Energy: 0.6099843726209253 Energy: 0.46791144579177396 Energy: 0.6099843726212246 Energy: 0.5185224263768405 Energy: 0.4608117816254932 Energy: 0.518522426377439 Energy: 0.46081178162698955 Energy: 0.5185224263771399 Energy: 0.46081178162669023 Energy: 0.4765697402852507 Energy: 0.6195555198177232 Energy: 0.47656974028495147 Energy: 0.6195555198272722 Energy: 0.4765697402855499 Energy: 0.6195555198254766 Energy: 0.4758516312914152 Energy: 0.6162120426089426 Energy: 0.4758516312917144 Energy: 0.6162120426077455 Energy: 0.47585163129201374 Energy: 0.6162120426089426 Energy: 0.4910501300800114 Energy: 0.4727831261174166 Energy: 0.49105013008031073 Energy: 0.4727831261165188 Energy: 0.49105013008031073 Energy: 0.47278312611831436 Energy: 0.574262973565046 Energy: 0.5109798616105328 Energy: 0.5742629735596594 Energy: 0.5109798616102335 Energy: 0.5742629735629512 Energy: 0.5109798616102335 Energy: 0.47125825294125445 Energy: 0.5881688258326575 Energy: 0.47125825294155366 Energy: 0.5881688258311611 Energy: 0.47125825294155366 Energy: 0.5881688258311611 Energy: 0.6349484031135447 Energy: 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Energy: 0.40505591644357225 Energy: 0.3919583686893416 Energy: 0.40505591644377675 Energy: 0.39195836868975065 Energy: 0.40505591644377675 Energy: 0.39195836868975065 Energy: 0.6763674244982449 Energy: 0.631149763976405 Energy: 0.7818416092271092 Energy: 0.6311497639766096 Energy: 0.5004617274109573 Energy: 0.6311497639762005 Energy: 0.40505005058650556 Energy: 0.3919419451340313 Energy: 0.40505005058691473 Energy: 0.39194194513423586 Energy: 0.4050500505860965 Energy: 0.3919419451340313 Energy: 0.44140969486805015 Energy: 0.42835865607315127 Energy: 0.4414096948686639 Energy: 0.42835865607256035 Energy: 0.4414096948684593 Energy: 0.42835865607315127 Energy: 0.40505591644357225 Energy: 0.3919583686895461 Energy: 0.40505591644357225 Energy: 0.39195836868975065 Energy: 0.40505591644377675 Energy: 0.39195836868975065 Energy: 0.3927662194102819 Energy: 0.6311497639766096 Energy: 0.5000539596331434 Energy: 0.6311497639766096 Energy: 0.5478338179541723 Energy: 0.631149763976814 minimum gb 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Energy: 0.4990753224548811 Energy: 0.5416052487431274 Energy: 0.49893132990990957 Energy: 0.5416052487434243 Energy: 0.49902034248157695 Energy: 0.5416052487447603 Energy: 0.597372950794576 Energy: 0.5589345972157337 Energy: 0.5973729507915574 Energy: 0.5589345972108346 Energy: 0.5973729507918544 Energy: 0.5589345972157337 Energy: 0.5352309421422728 Energy: 0.5790837032645187 Energy: 0.5352309421409368 Energy: 0.579083703258531 Energy: 0.5352309421662238 Energy: 0.5790837032610052 minimum gb energy = 0.46653136229946046 eV minimum distance = 2.55567984063448 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.6150314220112736 Energy: 0.5236175648206736 Energy: 0.5998771684539846 Energy: 0.5236175648214207 Energy: 0.6150314220023084 Energy: 0.5236175648214207 Energy: 0.5382380122444752 Energy: 0.5488782319885873 Energy: 0.5382380122448487 Energy: 0.5488782319885873 Energy: 0.5382380122444752 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Energy: 0.5535085688190169 Energy: 0.5259600485146829 Energy: 0.5535085688234995 Energy: 0.5259600485150565 Energy: 0.5535085688193905 Energy: 0.5259600485146829 Energy: 0.5393065590078003 Energy: 0.583988208179528 Energy: 0.5393065590070532 Energy: 0.5843793173993619 Energy: 0.5393065590074267 Energy: 0.5844631499871833 Energy: 0.5217861479929933 Energy: 0.5287006797472446 Energy: 0.5217861479918726 Energy: 0.5287006797472446 Energy: 0.5217861479926197 Energy: 0.5287006797450033 Energy: 0.5119333396911708 Energy: 0.5348862316619329 Energy: 0.5118719899596346 Energy: 0.5348862316608123 Energy: 0.5119333396904239 Energy: 0.5348862316623064 Energy: 0.5365484201074091 Energy: 0.5320851253007564 Energy: 0.5365484201062884 Energy: 0.5320851245528768 Energy: 0.5365484201074091 Energy: 0.5320851245905713 Energy: 0.5275913391791204 Energy: 0.5193561177324466 Energy: 0.5275913391794939 Energy: 0.5193561177335672 Energy: 0.5275913391794939 Energy: 0.519356117732073 Energy: 0.4670352557578836 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Energy: 0.510910033872195 Energy: 0.5810362377031483 Energy: 0.5128610181511365 Energy: 0.5293374062660505 Energy: 0.5127958870454651 Energy: 0.5293374062660505 Energy: 0.5128610181511365 Energy: 0.5293374062660505 Energy: 0.5470708759012174 Energy: 0.6888652612714053 Energy: 0.5472618365794564 Energy: 0.6888652699279342 Energy: 0.5470708759012174 Energy: 0.6888652626503114 Energy: 0.525901491493231 Energy: 0.5608437698537011 Energy: 0.5259014914924839 Energy: 0.5608437699108202 Energy: 0.5259014914936045 Energy: 0.5608437699362214 Energy: 0.5643297172480519 Energy: 0.5545811467792318 Energy: 0.5643297171984037 Energy: 0.5545811467792318 Energy: 0.5643297172140589 Energy: 0.5545811467788583 Energy: 0.5308743179245341 Energy: 0.5338450572554927 Energy: 0.5308743179249077 Energy: 0.5338450572562398 Energy: 0.5308743179245341 Energy: 0.5338450572554927 minimum gb energy = 0.4666288407163734 eV minimum distance = 2.58864227116954 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 0.6109900948058072 Energy: 0.5084631175971911 Energy: 0.6109900948039718 Energy: 0.5084631175971911 Energy: 0.6109900948044307 Energy: 0.5084631175971911 Energy: 0.551771669462671 Energy: 0.4803529584249717 Energy: 0.5517716694635886 Energy: 0.4803529584176303 Energy: 0.5517716694631297 Energy: 0.48035295840524167 Energy: 0.5320618993231129 Energy: 0.6091236011492607 Energy: 0.5320618993231129 Energy: 0.6091236011497195 Energy: 0.5320618993231129 Energy: 0.6091236011497195 Energy: 0.574012747682637 Energy: 0.4950187248865532 Energy: 0.5740127476830957 Energy: 0.4950187248847178 Energy: 0.574012747682637 Energy: 0.4950187248856355 Energy: 0.5261359223688079 Energy: 0.5062697608956003 Energy: 0.5261359223692667 Energy: 0.5062697608951414 Energy: 0.5261359223697256 Energy: 0.5062697608946826 Energy: 0.5367487497840233 Energy: 0.5215315285324463 Energy: 0.536748749779435 Energy: 0.5215315208815049 Energy: 0.5367487497798937 Energy: 0.5215315188392154 Energy: 0.5401175143200081 Energy: 0.5658402118063207 Energy: 0.5401175143190905 Energy: 0.5658402118058619 Energy: 0.5401175143195494 Energy: 0.5658402118058619 Energy: 0.5453664661839296 Energy: 0.5249165143464717 Energy: 0.5453670722727975 Energy: 0.5249165143469305 Energy: 0.5453660357282993 Energy: 0.5249165143469305 Energy: 0.6038539922718306 Energy: 0.47600875408355103 Energy: 0.6038539922718306 Energy: 0.4760087540840099 Energy: 0.6038539922722894 Energy: 0.47600875408355103 Energy: 0.49785432665339285 Energy: 0.57572285368183 Energy: 0.497854326652934 Energy: 0.5757228516028334 Energy: 0.49785432665339285 Energy: 0.57572285310945 Energy: 0.5923260618065066 Energy: 0.5204256495903629 Energy: 0.5923260618074243 Energy: 0.5204256495908217 Energy: 0.5923260618069655 Energy: 0.5204256495912806 Energy: 0.49296764286206357 Energy: 0.5063888460593026 Energy: 0.49296764286206357 Energy: 0.5064193776402459 Energy: 0.49296764286206357 Energy: 0.506400427773898 Energy: 0.5283323579434342 Energy: 0.5946133238176016 Energy: 0.5283323587235637 Energy: 0.5946133238176016 Energy: 0.5283323597371584 Energy: 0.5946133238176016 Energy: 0.475812860161744 Energy: 0.6241390966859502 Energy: 0.4758128601612851 Energy: 0.6241391063264563 Energy: 0.47581286016312047 Energy: 0.6241390980701195 Energy: 0.5601793066102649 Energy: 0.5530195176753532 Energy: 0.5601793066084295 Energy: 0.553019517675812 Energy: 0.5601793066088885 Energy: 0.5530195176748943 Energy: 0.5628710889939569 Energy: 0.5420187530456546 Energy: 0.5628710889939569 Energy: 0.5420187530470311 Energy: 0.5628710889934979 Energy: 0.5420187530465723 Energy: 0.5323132535292724 Energy: 0.48181889244550624 Energy: 0.5323132521854809 Energy: 0.48181889244550624 Energy: 0.5323132522905132 Energy: 0.48181889244550624 Energy: 0.5795109289155598 Energy: 0.5441017747030255 Energy: 0.5795109289160186 Energy: 0.544101774704381 Energy: 0.5795109289169362 Energy: 0.544101774704381 Energy: 0.5615572615446173 Energy: 0.5406936253729844 Energy: 0.5615572615441583 Energy: 0.5406936253729844 Energy: 0.5615572615446173 Energy: 0.5406936253725257 Energy: 0.5286422579132316 Energy: 0.48144753185050304 Energy: 0.5286422579141493 Energy: 0.48144753185050304 Energy: 0.5286422579136905 Energy: 0.48144753184729117 Energy: 0.49980754109883524 Energy: 0.5495304449637354 Energy: 0.4998075408796148 Energy: 0.5495304449632764 Energy: 0.499807540630111 Energy: 0.549530444964653 Energy: 0.5641234150795041 Energy: 0.5391449010903486 Energy: 0.5641234150795041 Energy: 0.5391449010903486 Energy: 0.5641234150795041 Energy: 0.5391449010903486 Energy: 0.475933529963379 Energy: 0.5566705884023833 Energy: 0.4759335299642967 Energy: 0.5566705884271606 Energy: 0.47593352996383786 Energy: 0.556670588451917 Energy: 0.5295222965199067 Energy: 0.5976187160844973 Energy: 0.529522296518989 Energy: 0.5976187160831208 Energy: 0.5295222965194478 Energy: 0.5976187160803678 Energy: 0.5439614400729124 Energy: 0.49923939170703024 Energy: 0.5439614400683239 Energy: 0.499239391710701 Energy: 0.5439614400724536 Energy: 0.4992393917102422 Energy: 0.5932423029003222 Energy: 0.5374538808649569 Energy: 0.5932423029016987 Energy: 0.5374538808649569 Energy: 0.5932423029021575 Energy: 0.5374538808649569 Energy: 0.4965895629518784 Energy: 0.5572247938936693 Energy: 0.49658956295141954 Energy: 0.5572247938955047 Energy: 0.49658956295141954 Energy: 0.5572247938634068 Energy: 0.5775736691931233 Energy: 0.4751540211736796 Energy: 0.5775736691848642 Energy: 0.4751540211736796 Energy: 0.5775736691825909 Energy: 0.4751540211736796 Energy: 0.5424211930983804 Energy: 0.5263078290473884 Energy: 0.5424211853286626 Energy: 0.5263078290473884 Energy: 0.5424211921302108 Energy: 0.5263078290478471 Energy: 0.5244706352737946 Energy: 0.5403296123480191 Energy: 0.5244708790504677 Energy: 0.5403296123498544 Energy: 0.5244708928237307 Energy: 0.540329612351231 Energy: 0.5385063039465702 Energy: 0.5572884451176805 Energy: 0.5385063039415231 Energy: 0.557288460429178 Energy: 0.538506303947029 Energy: 0.5572884250212292 minimum gb energy = 0.4751540211736796 eV minimum distance = 2.56964266860598 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5977063641980547 Energy: 0.4795065463730884 Energy: 0.5977063641986488 Energy: 0.4795065463730884 Energy: 0.5977063641974606 Energy: 0.4795065463730884 Energy: 0.5068814743827623 Energy: 0.4534638853530566 Energy: 0.5068814743833564 Energy: 0.4534638853536508 Energy: 0.506881474381574 Energy: 0.4534638853530566 Energy: 0.5415419410078828 Energy: 0.565890684814382 Energy: 0.5415419410078828 Energy: 0.565890684814382 Energy: 0.5415419410078828 Energy: 0.565890684814382 Energy: 0.644215638083069 Energy: 0.5018330152543125 Energy: 0.644215638083069 Energy: 0.5018330152543125 Energy: 0.644215638083069 Energy: 0.5018330152543125 Energy: 0.6466798837521834 Energy: 0.5685530598393178 Energy: 0.6466798837521834 Energy: 0.5685530598399119 Energy: 0.6466798837527776 Energy: 0.5685530598399119 Energy: 0.540881689437837 Energy: 0.518478088381941 Energy: 0.540881689437837 Energy: 0.5184780872584216 Energy: 0.540881689437837 Energy: 0.5184780874484248 Energy: 0.5351201180416962 Energy: 0.554416844532307 Energy: 0.535120118041102 Energy: 0.5544168445329012 Energy: 0.535120118041102 Energy: 0.554416844532307 Energy: 0.5549553623540546 Energy: 0.4803885253244724 Energy: 0.5549553623540546 Energy: 0.48038852532387827 Energy: 0.5549553623552428 Energy: 0.48038852532387827 Energy: 0.5931257896087495 Energy: 0.5269715010203956 Energy: 0.5931257896087495 Energy: 0.5269715010203956 Energy: 0.5931257896087495 Energy: 0.5269715010203956 Energy: 0.46047369374392644 Energy: 0.5152580431683638 Energy: 0.4604736937445205 Energy: 0.5152580431754659 Energy: 0.46047369374392644 Energy: 0.5152580431772482 Energy: 0.5350194447331658 Energy: 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0.5272940826656103 Energy: 0.5091224668383425 Energy: 0.5272940826656103 Energy: 0.5980342902128869 Energy: 0.5153181211068791 Energy: 0.5980342902122928 Energy: 0.5153181227500176 Energy: 0.5980342902128869 Energy: 0.5153181205742169 minimum gb energy = 0.4534638853530566 eV minimum distance = 2.55482372273104 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.5958523792130785 Energy: 0.4743603696365904 Energy: 0.5958523792113981 Energy: 0.4743603696365904 Energy: 0.5958523792122384 Energy: 0.4743603696365904 Energy: 0.5118081751322247 Energy: 0.45194904668239 Energy: 0.5118081751322247 Energy: 0.45194904668239 Energy: 0.5118081751313845 Energy: 0.45194904668239 Energy: 0.4969630551634116 Energy: 0.5112673364751928 Energy: 0.4969630551634116 Energy: 0.5112673365028997 Energy: 0.4969630551634116 Energy: 0.5112673364651107 Energy: 0.5651502511955284 Energy: 0.5072289621764217 Energy: 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Energy: 0.45821778089730447 Energy: 0.4703526945871065 Energy: 0.45821778089730447 Energy: 0.47200814080690545 Energy: 0.5118126576713146 Energy: 0.4720081407918013 Energy: 0.5118126576713146 Energy: 0.47200814081866804 Energy: 0.5118126576713146 Energy: 0.5554692769764675 Energy: 0.5701158249436337 Energy: 0.5554692769764675 Energy: 0.5701158249436337 Energy: 0.5554692769764675 Energy: 0.5701158249436337 Energy: 0.43607125641688715 Energy: 0.509496923991933 Energy: 0.43607125641688715 Energy: 0.509496923991933 Energy: 0.43607125641772737 Energy: 0.509496923991933 Energy: 0.47871997667103167 Energy: 0.5096983821796789 Energy: 0.47871997667019145 Energy: 0.5096983821796789 Energy: 0.47871997667019145 Energy: 0.5096983821796789 Energy: 0.48132903278426714 Energy: 0.5649121343172975 Energy: 0.48132903278426714 Energy: 0.5649121343172975 Energy: 0.481329032783427 Energy: 0.5649121343172975 Energy: 0.4815310708498515 Energy: 0.6153430582219523 Energy: 0.48153107084901137 Energy: 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Energy: 0.5389026461002899 Energy: 0.46628243843523803 Energy: 0.5389026461002899 Energy: 0.46628243845438044 Energy: 0.5660349341523531 Energy: 0.489285892580998 Energy: 0.5660349341520285 Energy: 0.4892858925806735 Energy: 0.5660349341523531 Energy: 0.48928589258002464 Energy: 0.4676223785355435 Energy: 0.4433848445750047 Energy: 0.4676223785352191 Energy: 0.4433848445724092 Energy: 0.4676223785355435 Energy: 0.4433848445746803 Energy: 0.4977467128250959 Energy: 0.45064720938066305 Energy: 0.49774671282574484 Energy: 0.45064720938033864 Energy: 0.497746712828016 Energy: 0.45064720938033864 Energy: 0.5362310682911561 Energy: 0.5308335007465605 Energy: 0.5362310682914806 Energy: 0.5308335007459117 Energy: 0.5362310682914806 Energy: 0.5308335007452628 Energy: 0.5159174564779972 Energy: 0.4582304522602976 Energy: 0.515917456477024 Energy: 0.4582304522560799 Energy: 0.5159174564708595 Energy: 0.45823045226678655 Energy: 0.4983639400531272 Energy: 0.412505951731336 Energy: 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Energy: 0.462509226507291 Energy: 0.529712410144574 Energy: 0.4470674125626427 Energy: 0.4569086253075811 Energy: 0.4470674125632915 Energy: 0.4569086253072566 Energy: 0.44706741256296706 Energy: 0.4569086253075811 Energy: 0.4227619946293076 Energy: 0.537984734513918 Energy: 0.4227619946302809 Energy: 0.5379847345135936 Energy: 0.4227619946302809 Energy: 0.537984734513918 Energy: 0.5257817696818724 Energy: 0.5450326533774694 Energy: 0.5257817696821968 Energy: 0.5450326533774694 Energy: 0.5257817696825213 Energy: 0.5450326533781181 Energy: 0.4470712783506394 Energy: 0.47845952539160663 Energy: 0.4470712783503149 Energy: 0.47845952539160663 Energy: 0.4470712783503149 Energy: 0.47845952539160663 Energy: 0.5076491534522111 Energy: 0.4867062015747432 Energy: 0.5076491534518867 Energy: 0.4867062015753921 Energy: 0.5076491534522111 Energy: 0.48670620157312094 Energy: 0.46765802299888176 Energy: 0.5490418179290826 Energy: 0.467658022997584 Energy: 0.549041817930056 Energy: 0.4676580229966107 Energy: 0.5490418179297315 Energy: 0.5424444126994219 Energy: 0.5181795402479806 Energy: 0.5424444126990975 Energy: 0.5181795402476562 Energy: 0.5424444126997464 Energy: 0.5181795402473317 Energy: 0.49957341847079484 Energy: 0.4124746312266018 Energy: 0.49957341847079484 Energy: 0.4124746312266018 Energy: 0.49957341847047043 Energy: 0.4124746312269262 Energy: 0.5179855399282126 Energy: 0.4583061409653171 Energy: 0.517985539928537 Energy: 0.45830614097180605 Energy: 0.517985539929186 Energy: 0.4583061409614237 Energy: 0.5357790578539704 Energy: 0.5303745278616472 Energy: 0.5357790578539704 Energy: 0.5303745278613228 Energy: 0.5357790578546193 Energy: 0.530374527862945 Energy: 0.49674929672817264 Energy: 0.4506339826986465 Energy: 0.49674929672784823 Energy: 0.4506339826976732 Energy: 0.49674929672817264 Energy: 0.4506339826979976 Energy: 0.4677070561609081 Energy: 0.4314889570205984 Energy: 0.4677070561609081 Energy: 0.4314889570209228 Energy: 0.4677070561609081 Energy: 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0.5053066879608883 Energy: 0.4654136357266604 Energy: 0.4950412509451287 Energy: 0.4654136357269848 Energy: 0.4950412509451287 Energy: 0.4654136357266604 Energy: 0.49504125094545315 Energy: 0.5389026461012633 Energy: 0.4662824384517849 Energy: 0.5389026461012633 Energy: 0.46628243844562034 Energy: 0.5389026461015877 Energy: 0.4662824384530827 Energy: 0.5660349341517041 Energy: 0.48928589257775357 Energy: 0.5660349341517041 Energy: 0.4892858925793757 Energy: 0.5660349341520285 Energy: 0.48928589258262023 minimum gb energy = 0.4124215914849804 eV minimum distance = 2.52155466843603 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5479235449809119 Energy: 0.4120274412823863 Energy: 0.5479235450073258 Energy: 0.412027441281858 Energy: 0.5479235449803835 Energy: 0.412027441281858 Energy: 0.4590359284834027 Energy: 0.46532237403626203 Energy: 0.45903592847653507 Energy: 0.46532237403626203 Energy: 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Energy: 0.5045234731953738 Energy: 0.4130514441894968 Energy: 0.4077647430015169 Energy: 0.4130514441900251 Energy: 0.4077647429983472 Energy: 0.41305144419055334 Energy: 0.40776474300046034 Energy: 0.4664437663448738 Energy: 0.4188642257071038 Energy: 0.46644517519081163 Energy: 0.41886422570657555 Energy: 0.4664438308496884 Energy: 0.4188642257076321 Energy: 0.5040302050110541 Energy: 0.5033382649970305 Energy: 0.5040302050099977 Energy: 0.503338264995974 Energy: 0.504030205010526 Energy: 0.5033382649933326 Energy: 0.4263371555167518 Energy: 0.5123442611026154 Energy: 0.42633715551569523 Energy: 0.5123442611047285 Energy: 0.42633715551727996 Energy: 0.5123442611042003 Energy: 0.46529936106154146 Energy: 0.4516383383811168 Energy: 0.46529936106101316 Energy: 0.4516383383811168 Energy: 0.46529936106154146 Energy: 0.4516383383811168 Energy: 0.5161637531188573 Energy: 0.46979451714709997 Energy: 0.5161637531188573 Energy: 0.46979451714657167 Energy: 0.5161637531188573 Energy: 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0.4348940229510601 Energy: 0.4398238366212444 Energy: 0.503572924875505 Energy: 0.4398238366302251 Energy: 0.503572924860185 Energy: 0.43982383662705554 Energy: 0.503572924871807 Energy: 0.3919950763710179 Energy: 0.5314314495703716 Energy: 0.3919950763720745 Energy: 0.5314314495724846 Energy: 0.3919950763710179 Energy: 0.5314314495708998 Energy: 0.41829870054636853 Energy: 0.42665137854507446 Energy: 0.4182987005447837 Energy: 0.42665137854507446 Energy: 0.41829870054584023 Energy: 0.42665137854560276 Energy: 0.43129911688609723 Energy: 0.5513906610038442 Energy: 0.43129911688715383 Energy: 0.5513906610043725 Energy: 0.4312991168866256 Energy: 0.5513906610043725 Energy: 0.42151059956553694 Energy: 0.5015244566711716 Energy: 0.42151059956553694 Energy: 0.5015244566711716 Energy: 0.42151059956500864 Energy: 0.5015244566711716 Energy: 0.4115787616905266 Energy: 0.42648998500455704 Energy: 0.41157876169263974 Energy: 0.42648998500455704 Energy: 0.4115787616905266 Energy: 0.42648998500455704 Energy: 0.3983899148639049 Energy: 0.47692933424705797 Energy: 0.3983899148649135 Energy: 0.4769293341720905 Energy: 0.3983899148633766 Energy: 0.4769293342523408 minimum gb energy = 0.3919950763710179 eV minimum distance = 2.54467624858445 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5002476495657212 Energy: 0.3741667716881759 Energy: 0.5002476495653363 Energy: 0.3741667716843269 Energy: 0.5002476495661061 Energy: 0.3741667716847118 Energy: 0.40349507214717556 Energy: 0.4167373116369068 Energy: 0.4034950721406321 Energy: 0.41673731163767663 Energy: 0.4034950721352435 Energy: 0.4167373116372918 Energy: 0.3884201286899819 Energy: 0.41759671853800323 Energy: 0.3884201286907517 Energy: 0.4175967185360787 Energy: 0.3884201286899819 Energy: 0.4175967185395428 Energy: 0.47429356740353357 Energy: 0.38119720861804046 Energy: 0.4742935673996846 Energy: 0.3811972086161159 Energy: 0.4742935673638884 Energy: 0.38119720861765555 Energy: 0.4433532959861555 Energy: 0.40480937451162813 Energy: 0.4433532959853857 Energy: 0.4048093745123979 Energy: 0.4433532959865404 Energy: 0.4048093745339526 Energy: 0.37914301999218497 Energy: 0.40614358780951887 Energy: 0.3791430199918 Energy: 0.40614358780913395 Energy: 0.3791430199918 Energy: 0.40614358780951887 Energy: 0.45465229297465487 Energy: 0.376371952494272 Energy: 0.4546522929750398 Energy: 0.3763718970381799 Energy: 0.45465229297426996 Energy: 0.3763720049813747 Energy: 0.47144896236937955 Energy: 0.4443050800608452 Energy: 0.4714489623616815 Energy: 0.44430508006046027 Energy: 0.47144896236206635 Energy: 0.44430508006046027 Energy: 0.36917949650788456 Energy: 0.4035026199463494 Energy: 0.3691794965082695 Energy: 0.4035026199471192 Energy: 0.3691794965082695 Energy: 0.4035026199471192 Energy: 0.4828507066045508 Energy: 0.366969133698553 Energy: 0.4828507066045508 Energy: 0.36696913370086237 Energy: 0.4828507066045508 Energy: 0.3669691336997077 Energy: 0.43747774965413017 Energy: 0.43581222673793124 Energy: 0.43747774965413017 Energy: 0.43581222673677655 Energy: 0.4374777496587491 Energy: 0.4358122267371615 Energy: 0.3986022680313066 Energy: 0.40303641581168864 Energy: 0.3986022680313066 Energy: 0.4030364158120735 Energy: 0.3986022680313066 Energy: 0.4030364158120735 Energy: 0.4098172719197995 Energy: 0.3558472606242913 Energy: 0.40981727191329115 Energy: 0.35584726062390637 Energy: 0.4098172719194146 Energy: 0.35584726062390637 Energy: 0.4446662946783774 Energy: 0.44460881507809835 Energy: 0.44466629470147184 Energy: 0.44460881507617384 Energy: 0.44466629470224156 Energy: 0.4446088150788682 Energy: 0.39603440075387963 Energy: 0.4030439817613816 Energy: 0.39603440075272484 Energy: 0.40304398176484585 Energy: 0.39603440075041546 Energy: 0.4030439817633062 Energy: 0.41463917204272077 Energy: 0.37786437406958173 Energy: 0.4146391720458 Energy: 0.37786437373023474 Energy: 0.4146391720446453 Energy: 0.3778643740107262 Energy: 0.44984311725604725 Energy: 0.44251674821917175 Energy: 0.44984311725604725 Energy: 0.44251674821343323 Energy: 0.44984311725797177 Energy: 0.4425167482253303 Energy: 0.3766502497704131 Energy: 0.4590905404807851 Energy: 0.37665024977118294 Energy: 0.45909054048501907 Energy: 0.37665024977079803 Energy: 0.4590905404873285 Energy: 0.4052231992743003 Energy: 0.3937987046189678 Energy: 0.4052231992692965 Energy: 0.39379870461819805 Energy: 0.4052231992723757 Energy: 0.3937987046189678 Energy: 0.4625167330935473 Energy: 0.4439095798938412 Energy: 0.4625167330927775 Energy: 0.4439095798938412 Energy: 0.46251673309316244 Energy: 0.4439095798942261 Energy: 0.3848363379231877 Energy: 0.4926825705129416 Energy: 0.38483634044974524 Energy: 0.4926825705125567 Energy: 0.384836353949691 Energy: 0.4926825705117869 Energy: 0.42129302962813264 Energy: 0.40559044047172704 Energy: 0.42129269610206804 Energy: 0.4055904404451685 Energy: 0.42129302750632125 Energy: 0.4055904404486327 Energy: 0.42403394743603146 Energy: 0.40010217476381926 Energy: 0.4240339474356465 Energy: 0.40010217476420423 Energy: 0.42403394743603146 Energy: 0.40010217476420423 Energy: 0.42507618581394463 Energy: 0.4909844270692264 Energy: 0.4250761858431974 Energy: 0.49098442706961126 Energy: 0.42507618580127765 Energy: 0.49098442706961126 Energy: 0.4047848825049331 Energy: 0.4045734697390807 Energy: 0.4047848825060878 Energy: 0.40457346973638636 Energy: 0.40478488250531797 Energy: 0.40457346973792596 Energy: 0.4043372704104098 Energy: 0.38235626380674553 Energy: 0.40433727041002493 Energy: 0.38235626380674553 Energy: 0.4043372704104098 Energy: 0.38235626380674553 Energy: 0.3938470931723473 Energy: 0.4683489227762514 Energy: 0.39384709317427186 Energy: 0.4683489227704778 Energy: 0.39384709317465677 Energy: 0.46834892278010043 Energy: 0.34070787967440747 Energy: 0.3984365417971356 Energy: 0.3407078796740225 Energy: 0.39843654180213944 Energy: 0.3407078796740225 Energy: 0.3984365417101819 Energy: 0.3598453178293266 Energy: 0.3680164662212134 Energy: 0.35984531782855683 Energy: 0.36801646622159834 Energy: 0.35984531782894175 Energy: 0.36801646622159834 Energy: 0.36421832579191477 Energy: 0.44925210813256483 Energy: 0.3642184164231954 Energy: 0.44925210813256483 Energy: 0.36421848139300744 Energy: 0.44925210813256483 Energy: 0.4050850022875082 Energy: 0.48192866188310246 Energy: 0.33554794556743034 Energy: 0.48192866188310246 Energy: 0.405085002284429 Energy: 0.4819286618834874 Energy: 0.4010889287497845 Energy: 0.36349176364958624 Energy: 0.4010889287490147 Energy: 0.36349176364958624 Energy: 0.40108892874786006 Energy: 0.3634917636492013 Energy: 0.3556530653028437 Energy: 0.4816192850939815 Energy: 0.35565306530322865 Energy: 0.481619285096291 Energy: 0.3556530653036135 Energy: 0.4816192850951363 Energy: 0.4429845176064556 Energy: 0.44164237342626766 Energy: 0.4429845176064556 Energy: 0.4416423734239582 Energy: 0.44298451760684054 Energy: 0.44164237341626006 Energy: 0.4005810686043287 Energy: 0.3838859234376893 Energy: 0.4005810686043287 Energy: 0.3838859234373043 Energy: 0.4005810685993249 Energy: 0.3838859234376893 Energy: 0.3371770381600588 Energy: 0.4046067264706151 Energy: 0.33717703816082856 Energy: 0.40460672647677365 Energy: 0.3371770381604437 Energy: 0.40460672647638873 minimum gb energy = 0.33554794556743034 eV minimum distance = 2.55254090268722 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.15995499436941715 Energy: 0.18152656361837236 Energy: 0.08365584234228113 Energy: 0.18152656361837236 Energy: 0.1599549943695618 Energy: 0.18152656361866162 Energy: 0.31494603812998695 Energy: 0.085299046973931 Energy: 0.31494603813069405 Energy: 0.08529904697605235 Energy: 0.31494603812998695 Energy: 0.08529904697888081 Energy: 0.33976471066646435 Energy: 0.08393282562911887 Energy: 0.33976471066646435 Energy: 0.08393282562940815 Energy: 0.33976471066631975 Energy: 0.08393282562911887 Energy: 0.08365584234228113 Energy: 0.18152656361809913 Energy: 0.08365584234228113 Energy: 0.18152656361809913 Energy: 0.08365584234228113 Energy: 0.1815265636182277 Energy: 0.31494603813013156 Energy: 0.08529904700361385 Energy: 0.3149460381302762 Energy: 0.08529904700136393 Energy: 0.31494603813013156 Energy: 0.08529904700290673 Energy: 0.33976471066631975 Energy: 0.08393282562926352 Energy: 0.33976471066631975 Energy: 0.08393282562926352 Energy: 0.33976471066631975 Energy: 0.08393282562926352 Energy: 0.15995499436927252 Energy: 0.1815265636182277 Energy: 0.08365584234228113 Energy: 0.1815265636182277 Energy: 0.15995499436927252 Energy: 0.18152656361837236 Energy: 0.3149460381304209 Energy: 0.08529904703868044 Energy: 0.31494603813056554 Energy: 0.08529904704065716 Energy: 0.3149460381302762 Energy: 0.08529904704248922 Energy: 0.3397647106667376 Energy: 0.08393282562911887 Energy: 0.33976471066688224 Energy: 0.08393282562926352 Energy: 0.3397647106665929 Energy: 0.08393282562897424 Energy: 0.08365584234228113 Energy: 0.18152656361837236 Energy: 0.08365584234228113 Energy: 0.18152656361837236 Energy: 0.08365584234213648 Energy: 0.181526563618517 minimum gb energy = 0.08365584234213648 eV minimum distance = 2.7898826667981 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.4485226702008215 Energy: 0.39089563041443054 Energy: 0.4485226702008215 Energy: 0.39089563041443054 Energy: 0.4485226702008215 Energy: 0.39089563041485376 Energy: 0.4178728711096649 Energy: 0.42518837642754564 Energy: 0.4178728709066185 Energy: 0.42518837642754564 Energy: 0.41787287108852345 Energy: 0.42518837642754564 Energy: 0.42745073062293837 Energy: 0.42630517254947514 Energy: 0.409874065817248 Energy: 0.42630517254862876 Energy: 0.4098740658176711 Energy: 0.42630517254862876 Energy: 0.42676314036402035 Energy: 0.39943871698341604 Energy: 0.4267631403635971 Energy: 0.39943871698341604 Energy: 0.42676314036402035 Energy: 0.39943871698341604 Energy: 0.3832462432698116 Energy: 0.4257765653132819 Energy: 0.3832462432698116 Energy: 0.4257765653137051 Energy: 0.3832462432698116 Energy: 0.4257765653137051 Energy: 0.41003213911574105 Energy: 0.4100977693503099 Energy: 0.4100321391149139 Energy: 0.4100977693494635 Energy: 0.41003213911531783 Energy: 0.4100977693498867 Energy: 0.41508612920113075 Energy: 0.4231899546850382 Energy: 0.4150861291994379 Energy: 0.42318995468461507 Energy: 0.41508612919986115 Energy: 0.42318995468461507 Energy: 0.35496833199366934 Energy: 0.4264540518702543 Energy: 0.35496833199409256 Energy: 0.4264540518702543 Energy: 0.35496833199366934 Energy: 0.42645405186856145 Energy: 0.41402703320643164 Energy: 0.4119999733460068 Energy: 0.4140270332068549 Energy: 0.4119999733455835 Energy: 0.41402703320643164 Energy: 0.4119999733455835 Energy: 0.41601200235305796 Energy: 0.40259251845320043 Energy: 0.4160120023526347 Energy: 0.40259251845320043 Energy: 0.4160120023526347 Energy: 0.40259251845320043 Energy: 0.3672395738272004 Energy: 0.43679554290074085 Energy: 0.36723957382677724 Energy: 0.43679554290074085 Energy: 0.3672395738272004 Energy: 0.436795542901164 Energy: 0.42562021105739956 Energy: 0.4231819498397578 Energy: 0.42562021105612985 Energy: 0.423181949916321 Energy: 0.42562021105570674 Energy: 0.42318194976444506 Energy: 0.4259869058337408 Energy: 0.3529598680378957 Energy: 0.4259869058337408 Energy: 0.3529598680378957 Energy: 0.4259869058337408 Energy: 0.3529598680378957 Energy: 0.417785038351084 Energy: 0.414472144766492 Energy: 0.417785038351084 Energy: 0.414472144766492 Energy: 0.4177850383506607 Energy: 0.4144721447669152 Energy: 0.41748940516738386 Energy: 0.41936784050985654 Energy: 0.4174894051669607 Energy: 0.4193678405102798 Energy: 0.4174894051669607 Energy: 0.41936784050985654 Energy: 0.4248772553375666 Energy: 0.35126484472957226 Energy: 0.4248772553375666 Energy: 0.35126484472957226 Energy: 0.4248772553371433 Energy: 0.3512648447299954 Energy: 0.42792250665819803 Energy: 0.42199505577240315 Energy: 0.42792250665819803 Energy: 0.42199505577282637 Energy: 0.42792250665819803 Energy: 0.42199505577282637 Energy: 0.42467792492734796 Energy: 0.40759970541535445 Energy: 0.42467792492734796 Energy: 0.40759970541450796 Energy: 0.4246779249277711 Energy: 0.40759970541535445 Energy: 0.42447569376279093 Energy: 0.4178965145506543 Energy: 0.42447569376194444 Energy: 0.4178965145506543 Energy: 0.42447569376236766 Energy: 0.4178965145506543 Energy: 0.4232091663323366 Energy: 0.44019983138919 Energy: 0.4232091663319133 Energy: 0.4401998313896132 Energy: 0.4232091663319133 Energy: 0.44019983138707397 Energy: 0.4105282247525654 Energy: 0.3972944884380931 Energy: 0.4105282247521422 Energy: 0.3972944884321874 Energy: 0.4105282247525654 Energy: 0.3972944884380931 Energy: 0.4282662943364989 Energy: 0.3999333019788271 Energy: 0.42826629433734537 Energy: 0.3999333019792502 Energy: 0.4282662943364989 Energy: 0.3999333019784039 Energy: 0.39712422149454296 Energy: 0.44419621455269 Energy: 0.39712422149411974 Energy: 0.4441962145505739 Energy: 0.39712422149454296 Energy: 0.4441962145535364 Energy: 0.42513597600170455 Energy: 0.3882788144246971 Energy: 0.42513597600128145 Energy: 0.3882788144251203 Energy: 0.42513597600128145 Energy: 0.3882788144255435 Energy: 0.4140438127488093 Energy: 0.42127111889857893 Energy: 0.41404381274838614 Energy: 0.4212711188990022 Energy: 0.41404381274838614 Energy: 0.42127111889942537 Energy: 0.38384098834304176 Energy: 0.4157845035333163 Energy: 0.38384098834304176 Energy: 0.4157845035333163 Energy: 0.38384098834304176 Energy: 0.4157845035333163 Energy: 0.44381057554381864 Energy: 0.4012876907258031 Energy: 0.44381057554381864 Energy: 0.4012876907262264 Energy: 0.44381057554339537 Energy: 0.4012876907258031 Energy: 0.4073484106575132 Energy: 0.4153935291462371 Energy: 0.4073484106575132 Energy: 0.41539352914581396 Energy: 0.40734841065709 Energy: 0.4153935291462371 Energy: 0.3689229237401567 Energy: 0.4257906600460131 Energy: 0.36892292373973345 Energy: 0.42579066004558985 Energy: 0.36892292373973345 Energy: 0.4257906600460131 Energy: 0.4144287700840726 Energy: 0.41736444707269443 Energy: 0.4144287700844958 Energy: 0.41736444707269443 Energy: 0.4144287700840726 Energy: 0.41736444707269443 Energy: 0.44655755744122316 Energy: 0.42140064122335585 Energy: 0.44655755742725717 Energy: 0.42140064122335585 Energy: 0.4465575574403768 Energy: 0.42140064122335585 Energy: 0.3973783445015215 Energy: 0.41916061533214355 Energy: 0.3973783445015215 Energy: 0.4191606153317203 Energy: 0.3973783445015215 Energy: 0.4191606153317203 Energy: 0.4110167298092986 Energy: 0.4248003250820653 Energy: 0.4110167298097217 Energy: 0.4248003250820653 Energy: 0.4110167298092986 Energy: 0.4248003250820653 minimum gb energy = 0.35126484472957226 eV minimum distance = 2.65205060609313 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.5208527018911224 Energy: 0.46132415542069916 Energy: 0.5208527018971527 Energy: 0.46132415542009614 Energy: 0.5208527018947406 Energy: 0.46132415542069916 Energy: 0.45981626801148856 Energy: 0.48638899498538274 Energy: 0.45981626801209163 Energy: 0.48638899498297056 Energy: 0.45981626801209163 Energy: 0.48638899498538274 Energy: 0.48115329879904095 Energy: 0.48592206791104886 Energy: 0.48115329879904095 Energy: 0.4859220679116519 Energy: 0.48115329879904095 Energy: 0.4859220679116519 Energy: 0.4904765212229443 Energy: 0.4548328174176267 Energy: 0.49047652122234126 Energy: 0.4548328174176267 Energy: 0.49047652122234126 Energy: 0.4548328174176267 Energy: 0.4476547893660553 Energy: 0.4882027600315004 Energy: 0.44765478936665837 Energy: 0.4882027600321035 Energy: 0.44765478936665837 Energy: 0.4882027600315004 Energy: 0.4940976594569063 Energy: 0.48629219422544884 Energy: 0.49409765945630324 Energy: 0.48629219422544884 Energy: 0.4940976594569063 Energy: 0.48629219422484576 Energy: 0.48088411221404065 Energy: 0.4902510771242189 Energy: 0.4808841122146437 Energy: 0.4902510771242189 Energy: 0.4808841122146437 Energy: 0.4902510771242189 Energy: 0.46994220750378907 Energy: 0.4877576293424429 Energy: 0.469942207503186 Energy: 0.4877576293424429 Energy: 0.469942207503186 Energy: 0.4877576293424429 Energy: 0.494068239781887 Energy: 0.49316526795058785 Energy: 0.494068239781887 Energy: 0.49316526795058785 Energy: 0.4940682397824901 Energy: 0.4931652679499848 Energy: 0.4772298293732685 Energy: 0.42108983330159827 Energy: 0.4772298293726655 Energy: 0.42108983330159827 Energy: 0.4772298293726655 Energy: 0.42108983330159827 Energy: 0.49448204472123036 Energy: 0.48201407325922285 Energy: 0.4944820447218334 Energy: 0.48201407325922285 Energy: 0.4944820447200243 Energy: 0.48201407325861995 Energy: 0.4771971341257012 Energy: 0.476531623844334 Energy: 0.4771971341257012 Energy: 0.476531623844334 Energy: 0.4771971341257012 Energy: 0.476531623844334 Energy: 0.47712292461203776 Energy: 0.48015287560830633 Energy: 0.47712292461143474 Energy: 0.48015287560830633 Energy: 0.47712292461203776 Energy: 0.48015287560830633 Energy: 0.4858953299175194 Energy: 0.49687208802608385 Energy: 0.4858953299175194 Energy: 0.49687208803090815 Energy: 0.4858953299175194 Energy: 0.4968720880357324 Energy: 0.4606123755864289 Energy: 0.4571989671992052 Energy: 0.4606123755864289 Energy: 0.45719896720041137 Energy: 0.4606123755858259 Energy: 0.45719896720041137 Energy: 0.49200470166136906 Energy: 0.47581331635179175 Energy: 0.49200470166136906 Energy: 0.47581331635179175 Energy: 0.49200470166136906 Energy: 0.4758133163523948 Energy: 0.4553414585946222 Energy: 0.500304422641262 Energy: 0.4553414585946222 Energy: 0.5003044226400559 Energy: 0.4553414585946222 Energy: 0.500304422641865 Energy: 0.47549402644756633 Energy: 0.4487809201288489 Energy: 0.47549402644756633 Energy: 0.448780920129452 Energy: 0.47549402644756633 Energy: 0.4487809201288489 Energy: 0.4845707631984681 Energy: 0.4933755829302334 Energy: 0.4845707631990711 Energy: 0.4933755829302334 Energy: 0.484570763197865 Energy: 0.4933755829302334 Energy: 0.49542423747995884 Energy: 0.49808665949143466 Energy: 0.49542423747935577 Energy: 0.49808665949143466 Energy: 0.49542423747995884 Energy: 0.49808665949143466 Energy: 0.5168368390217145 Energy: 0.4502996471657525 Energy: 0.5168368390217145 Energy: 0.4502996471657525 Energy: 0.5168368390211117 Energy: 0.4502996471657525 Energy: 0.4951048984742059 Energy: 0.5151611873659437 Energy: 0.49510489847360284 Energy: 0.5151611873653407 Energy: 0.49510489847360284 Energy: 0.5151611873653407 Energy: 0.42916545439503356 Energy: 0.4969802935212159 Energy: 0.42916545439503356 Energy: 0.4969802935212159 Energy: 0.42916545439503356 Energy: 0.4969802935212159 minimum gb energy = 0.42108983330159827 eV minimum distance = 2.59277966410915 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5524275028452714 Energy: 0.4817344397365809 Energy: 0.5524275028452714 Energy: 0.4817344397365809 Energy: 0.5524275028452714 Energy: 0.4817344397365809 Energy: 0.4949046989526967 Energy: 0.5188865535960864 Energy: 0.49490469895231415 Energy: 0.5188865535960864 Energy: 0.49490469895231415 Energy: 0.5188865535964688 Energy: 0.5268681926680477 Energy: 0.5184020180231237 Energy: 0.5268681926676652 Energy: 0.5184020180231237 Energy: 0.5268681926680477 Energy: 0.5184020180235063 Energy: 0.5284653442871272 Energy: 0.48766146275611644 Energy: 0.5284653442863622 Energy: 0.48766146275649896 Energy: 0.5284653442867447 Energy: 0.48766146275649896 Energy: 0.4927506690537645 Energy: 0.5340650045277472 Energy: 0.49275066905338194 Energy: 0.5340650045277472 Energy: 0.4927506690537645 Energy: 0.5340650045281297 Energy: 0.5551217793259268 Energy: 0.5339399319022566 Energy: 0.5551217793263092 Energy: 0.5446924657058988 Energy: 0.5551217793263092 Energy: 0.5466245479450086 Energy: 0.5281435311302262 Energy: 0.5375835202449303 Energy: 0.5281435311298436 Energy: 0.5375835202449303 Energy: 0.5281435311294609 Energy: 0.5375835202445477 Energy: 0.5164633912598126 Energy: 0.5239131023082775 Energy: 0.5164633912598126 Energy: 0.5239131023086601 Energy: 0.51646339125943 Energy: 0.5239131023082775 Energy: 0.5135501500412916 Energy: 0.5326209763345434 Energy: 0.5135501500412916 Energy: 0.532620976334161 Energy: 0.513550150040909 Energy: 0.532620976334161 Energy: 0.5519520029987288 Energy: 0.5378884708586935 Energy: 0.5519520030010241 Energy: 0.5496112209927365 Energy: 0.5519520029945207 Energy: 0.5361628866317074 Energy: 0.5271819271433255 Energy: 0.5271848294943547 Energy: 0.5271819271433255 Energy: 0.5271848309959748 Energy: 0.5271819271433255 Energy: 0.5271848354480424 Energy: 0.4932101952818805 Energy: 0.49670162005787327 Energy: 0.4932101952818805 Energy: 0.49670162005787327 Energy: 0.4932101952826456 Energy: 0.49670162005787327 Energy: 0.5254794380056004 Energy: 0.5005278668274238 Energy: 0.5254794380033051 Energy: 0.5005278668274238 Energy: 0.5254794380044527 Energy: 0.5005278668274238 Energy: 0.5085099378411352 Energy: 0.5097543383226145 Energy: 0.5085099378407526 Energy: 0.5097543383226145 Energy: 0.5085099378411352 Energy: 0.5097543383226145 Energy: 0.5053001344868253 Energy: 0.4976531004289664 Energy: 0.5053001344872079 Energy: 0.497653100429349 Energy: 0.5053001344864427 Energy: 0.4976531004289664 Energy: 0.5285864317035912 Energy: 0.5272998716410596 Energy: 0.5285864317035912 Energy: 0.5272998716414423 Energy: 0.5285864317035912 Energy: 0.5272998716410596 Energy: 0.487393088636112 Energy: 0.5280597991333728 Energy: 0.4873930886357294 Energy: 0.5280597991329902 Energy: 0.48739308863496433 Energy: 0.5280597991333728 Energy: 0.5436503969840333 Energy: 0.542340870274233 Energy: 0.5436503969840333 Energy: 0.5423408702738504 Energy: 0.5436503969840333 Energy: 0.5423408702734679 Energy: 0.4955848919018645 Energy: 0.5444825108613596 Energy: 0.495584891901482 Energy: 0.5444825108613596 Energy: 0.495584891890388 Energy: 0.5444825108613596 Energy: 0.538103122184287 Energy: 0.5189679752900519 Energy: 0.538103122184287 Energy: 0.5189679752900519 Energy: 0.5381031221846695 Energy: 0.5189679752900519 Energy: 0.5209158917807182 Energy: 0.5261136349472014 Energy: 0.5209158917811008 Energy: 0.5261136349472014 Energy: 0.5209158917811008 Energy: 0.5261136349472014 Energy: 0.5156490064705715 Energy: 0.48649301385694294 Energy: 0.5156490064701889 Energy: 0.4864930138565604 Energy: 0.5156490064709541 Energy: 0.4864930138565604 Energy: 0.4842195616703239 Energy: 0.5284832056356624 Energy: 0.4842195616699413 Energy: 0.5284832056352797 Energy: 0.4842195616707064 Energy: 0.5284832056345148 Energy: 0.5385662918168351 Energy: 0.4919106710818817 Energy: 0.5385662918168351 Energy: 0.4919106710822643 Energy: 0.5385662918176001 Energy: 0.4919106710818817 Energy: 0.5208379788410386 Energy: 0.49869002264345025 Energy: 0.5208379788410386 Energy: 0.49869002264345025 Energy: 0.5208379788414211 Energy: 0.49869002264345025 Energy: 0.48431478404410944 Energy: 0.5384798105452598 Energy: 0.48431478404334427 Energy: 0.5384798105456424 Energy: 0.48431478404410944 Energy: 0.5384798105460251 Energy: 0.5290572872500419 Energy: 0.4879078579610107 Energy: 0.5290572872500419 Energy: 0.4879078579610107 Energy: 0.5290572872500419 Energy: 0.4879078579610107 Energy: 0.5408003503142674 Energy: 0.551849719556317 Energy: 0.5408003503138848 Energy: 0.551849719557082 Energy: 0.5408003503142674 Energy: 0.5518497195574646 Energy: 0.5409804217409085 Energy: 0.5344185149525923 Energy: 0.5409804217603839 Energy: 0.5344185149525923 Energy: 0.5409804217401435 Energy: 0.5344185149525923 Energy: 0.49811569872155986 Energy: 0.5121412072615942 Energy: 0.49811569874489553 Energy: 0.5121412072612117 Energy: 0.4981156987689963 Energy: 0.5121412072612117 Energy: 0.5548594303588499 Energy: 0.5425272384174094 Energy: 0.5548594303592325 Energy: 0.5425272384174094 Energy: 0.5548594303588499 Energy: 0.5425272384170268 Energy: 0.5250993187057139 Energy: 0.5194429778076394 Energy: 0.5250993187080092 Energy: 0.5194429778084044 Energy: 0.5250993187045663 Energy: 0.5194429778076394 Energy: 0.5249791306340101 Energy: 0.5262218624640715 Energy: 0.5249791306340101 Energy: 0.5262218624587507 Energy: 0.5249791306336274 Energy: 0.526221862463689 Energy: 0.5058788644625705 Energy: 0.5187105049753447 Energy: 0.5058788644629532 Energy: 0.5187105049753447 Energy: 0.5058788644625705 Energy: 0.5187105049757272 Energy: 0.49184909379574215 Energy: 0.5184773818325821 Energy: 0.4918490937953597 Energy: 0.5184773818325821 Energy: 0.49184909379574215 Energy: 0.5184773818325821 Energy: 0.5434629092326434 Energy: 0.5019688100874571 Energy: 0.5434629092272877 Energy: 0.5019688100874571 Energy: 0.5434629092257576 Energy: 0.5019688100874571 Energy: 0.4916211498891586 Energy: 0.4972357844373877 Energy: 0.4916211498895412 Energy: 0.49723578443930044 Energy: 0.4916211498895412 Energy: 0.49723578443930044 minimum gb energy = 0.4817344397365809 eV minimum distance = 2.63696202754414 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5882147770257737 Energy: 0.539289979507197 Energy: 0.5882147770247294 Energy: 0.539289979507197 Energy: 0.5882147770247294 Energy: 0.539289979507197 Energy: 0.5419689530856526 Energy: 0.5663555626568582 Energy: 0.5419689530856526 Energy: 0.5663555626568582 Energy: 0.5419689530856526 Energy: 0.5663555626568582 Energy: 0.6138862730422394 Energy: 0.5660982306899642 Energy: 0.6166141681325501 Energy: 0.5660982306899642 Energy: 0.5980572071864632 Energy: 0.5660982306899642 Energy: 0.5861606938329822 Energy: 0.598916404653705 Energy: 0.5861606938329822 Energy: 0.598916404653705 Energy: 0.5861606938319378 Energy: 0.598916404653705 Energy: 0.5964930275190929 Energy: 0.5719651235279771 Energy: 0.5964930275180486 Energy: 0.5719651235279771 Energy: 0.5964930275190929 Energy: 0.5719651235279771 Energy: 0.5953464700989396 Energy: 0.5799131884473825 Energy: 0.5953464700989396 Energy: 0.579913188448427 Energy: 0.5953464701010287 Energy: 0.5799131884473825 Energy: 0.5789875335912309 Energy: 0.5961013979421018 Energy: 0.5789875335912309 Energy: 0.5961013979421018 Energy: 0.5789875335912309 Energy: 0.5961013979421018 Energy: 0.5620388956610992 Energy: 0.565261917778904 Energy: 0.5620388956610992 Energy: 0.565261917780993 Energy: 0.5620388956610992 Energy: 0.5652619177799486 Energy: 0.5445579753672471 Energy: 0.5373324040842278 Energy: 0.5445579753672471 Energy: 0.5373324040852724 Energy: 0.5445579753672471 Energy: 0.5373324040842278 Energy: 0.5803084180003987 Energy: 0.5508023183828289 Energy: 0.5803084180003987 Energy: 0.5508023183828289 Energy: 0.5803084180003987 Energy: 0.5508023183828289 Energy: 0.5435923177306369 Energy: 0.5663556853988936 Energy: 0.5435923177306369 Energy: 0.5663556853988936 Energy: 0.5435923177316814 Energy: 0.5663556853988936 Energy: 0.5668060325543441 Energy: 0.5661071418853314 Energy: 0.5668060325543441 Energy: 0.5661071418853314 Energy: 0.5668060325543441 Energy: 0.5661071418863759 Energy: 0.5909001719333377 Energy: 0.561117532058599 Energy: 0.5909001719333377 Energy: 0.561117532058599 Energy: 0.5909001719333377 Energy: 0.561117532058599 Energy: 0.5983430181312221 Energy: 0.5743213492324972 Energy: 0.5983430181312221 Energy: 0.5743213492314528 Energy: 0.5983430181312221 Energy: 0.5743213492314528 minimum gb energy = 0.5373324040842278 eV minimum distance = 2.51559121548926 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.6020183904616486 Energy: 0.5922679147859923 Energy: 0.6020183904616486 Energy: 0.5922679147749801 Energy: 0.6020183904611897 Energy: 0.5922679147836981 Energy: 0.5537284417614348 Energy: 0.5829890181810932 Energy: 0.5537284417623526 Energy: 0.5829890181810932 Energy: 0.5537284417614348 Energy: 0.5829890181810932 Energy: 0.617231562064368 Energy: 0.5759374731125175 Energy: 0.6021043759510937 Energy: 0.5759374731125175 Energy: 0.6172315620625326 Energy: 0.5759374731125175 Energy: 0.5802401336513654 Energy: 0.560869814007204 Energy: 0.5802401336499889 Energy: 0.5608698140076629 Energy: 0.5802401336509065 Energy: 0.5608698140062864 Energy: 0.6171942621147668 Energy: 0.5819808286645453 Energy: 0.6171942621147668 Energy: 0.5819808286645453 Energy: 0.6171942621152257 Energy: 0.5819808286645453 Energy: 0.591781258756913 Energy: 0.6017345789654835 Energy: 0.591781258756913 Energy: 0.6017345789650248 Energy: 0.5917812587573719 Energy: 0.6017345789654835 Energy: 0.5838157431931036 Energy: 0.5699089894141799 Energy: 0.583815743191727 Energy: 0.5699089894141799 Energy: 0.5838157431880563 Energy: 0.5699089894141799 Energy: 0.5658274123361213 Energy: 0.5837238352528009 Energy: 0.5658274123365802 Energy: 0.5837238352528009 Energy: 0.5658274123361213 Energy: 0.5837238352528009 Energy: 0.5723356161510665 Energy: 0.5966745808964676 Energy: 0.5723356161515254 Energy: 0.5966745808964676 Energy: 0.5723356161510665 Energy: 0.5966745808969264 Energy: 0.5793075197672564 Energy: 0.5785676003459947 Energy: 0.5793075197672564 Energy: 0.5785676003459947 Energy: 0.5793075197677151 Energy: 0.5785676003455359 Energy: 0.5718831755046406 Energy: 0.5876425323219006 Energy: 0.5718831755041819 Energy: 0.5876425323251123 Energy: 0.5718831755046406 Energy: 0.587642532323277 Energy: 0.5956848751221727 Energy: 0.6030815982284672 Energy: 0.5956848751221727 Energy: 0.6030815982284672 Energy: 0.5956848751221727 Energy: 0.6030815982284672 Energy: 0.5755818116897637 Energy: 0.5674357330999502 Energy: 0.5755818116883874 Energy: 0.5674357330999502 Energy: 0.5755818116888461 Energy: 0.5674357330999502 Energy: 0.6013984134302731 Energy: 0.5868705915351579 Energy: 0.6013984134302731 Energy: 0.5868705915356166 Energy: 0.6013984134302731 Energy: 0.5868705915360755 Energy: 0.5656220687029097 Energy: 0.574347514440033 Energy: 0.5649569709491764 Energy: 0.574347514440033 Energy: 0.5649569709491764 Energy: 0.5743475144404918 Energy: 0.5831957184574336 Energy: 0.6120526888423061 Energy: 0.5831957184569748 Energy: 0.6120526888436826 Energy: 0.5831957184569748 Energy: 0.6120526888432237 Energy: 0.5701687888878881 Energy: 0.582896607108986 Energy: 0.5701687888883469 Energy: 0.582896607108986 Energy: 0.5701687888874293 Energy: 0.582896607108986 Energy: 0.5830587443807667 Energy: 0.586015851834938 Energy: 0.5830587443812254 Energy: 0.586015851834938 Energy: 0.5830587443807667 Energy: 0.5860158518344791 Energy: 0.583786981929575 Energy: 0.5532695196080889 Energy: 0.5837869819300338 Energy: 0.5532695196057947 Energy: 0.583786981929575 Energy: 0.5532695196103833 Energy: 0.6107204367637312 Energy: 0.5791646142556148 Energy: 0.6107204367637312 Energy: 0.5791646142560737 Energy: 0.6107204367637312 Energy: 0.5791646142560737 Energy: 0.5608123378719553 Energy: 0.5651746476059084 Energy: 0.5608123378733317 Energy: 0.5651746476059084 Energy: 0.560812337872414 Energy: 0.5651746476054496 Energy: 0.5978545389552729 Energy: 0.5887363253801924 Energy: 0.5978545389552729 Energy: 0.5887363253797336 Energy: 0.5978545389552729 Energy: 0.5887363253797336 Energy: 0.5580197445387094 Energy: 0.5722212146515128 Energy: 0.5580197445387094 Energy: 0.5722212146510539 Energy: 0.5580197445387094 Energy: 0.5722212146515128 Energy: 0.5835319316817761 Energy: 0.5823830651304556 Energy: 0.5835319316813172 Energy: 0.5823830651267848 Energy: 0.5835319316817761 Energy: 0.5823830651295377 Energy: 0.5858694317544467 Energy: 0.6052750495055635 Energy: 0.5858694317549056 Energy: 0.6052750495055635 Energy: 0.5858694317549056 Energy: 0.6052750495055635 Energy: 0.5656702151257194 Energy: 0.5786228222891354 Energy: 0.5656702151257194 Energy: 0.5786228222886766 Energy: 0.5656702151257194 Energy: 0.5786228222886766 Energy: 0.5897405286915831 Energy: 0.5927755779380112 Energy: 0.589740528692042 Energy: 0.5927755779375524 Energy: 0.5897405286915831 Energy: 0.5927755779389289 Energy: 0.5797467125204947 Energy: 0.5565261056581051 Energy: 0.5797467125209536 Energy: 0.5565261056576464 Energy: 0.5797467125204947 Energy: 0.5565261056581051 Energy: 0.576093974171242 Energy: 0.5889110631580485 Energy: 0.5760939741717008 Energy: 0.5889110631580485 Energy: 0.576093974171242 Energy: 0.5889110631571309 Energy: 0.5655045591074913 Energy: 0.5531971563579997 Energy: 0.5655045591074913 Energy: 0.5531971563579997 Energy: 0.5655045591070325 Energy: 0.5531971563579997 Energy: 0.5794582876447231 Energy: 0.6038754674184351 Energy: 0.5794582876451819 Energy: 0.6038754674184351 Energy: 0.5794582876447231 Energy: 0.6038754674184351 minimum gb energy = 0.5531971563579997 eV minimum distance = 2.51067863346018 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5184206449050477 Energy: 0.5074907957919023 Energy: 0.5184206449050477 Energy: 0.5074907957919023 Energy: 0.5184206449058641 Energy: 0.5074907957919023 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.5878911535282526 Energy: 0.5769667422152569 Energy: 0.546152527017297 Energy: 0.5328999937477376 Energy: 0.546152527017297 Energy: 0.5328999937477376 Energy: 0.546152527017297 Energy: 0.532899993748554 Energy: 0.5129911905104481 Energy: 0.5245728012597219 Energy: 0.5129911905104481 Energy: 0.6135554823625204 Energy: 0.5129911905104481 Energy: 0.5245728012605384 Energy: 0.5476473385881618 Energy: 0.5329060048315472 Energy: 0.5476473385881618 Energy: 0.5329060048307306 Energy: 0.5476473385889783 Energy: 0.5329060048315472 Energy: 0.5878476465029248 Energy: 0.5653042253123796 Energy: 0.5878476465029248 Energy: 0.5634446084403547 Energy: 0.5878476465037412 Energy: 0.5169249795067516 Energy: 0.5184206449050477 Energy: 0.5074907957919023 Energy: 0.5184206449050477 Energy: 0.5074907957919023 Energy: 0.5184206449050477 Energy: 0.5074907957919023 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.546152527017297 Energy: 0.5328999937477376 Energy: 0.546152527017297 Energy: 0.532899993748554 Energy: 0.546152527017297 Energy: 0.532899993748554 Energy: 0.5129911905096315 Energy: 0.5103351482097555 Energy: 0.5129911905104481 Energy: 0.510335148210572 Energy: 0.5129911905104481 Energy: 0.5103351482097555 Energy: 0.5476473385881618 Energy: 0.5329060048307306 Energy: 0.5476473385881618 Energy: 0.5329060048307306 Energy: 0.5476473385881618 Energy: 0.5329060048307306 Energy: 0.5878476465029248 Energy: 0.5169249795067516 Energy: 0.5878476465037412 Energy: 0.5169249795059351 Energy: 0.5878476465029248 Energy: 0.5169249795067516 Energy: 0.5184206449058641 Energy: 0.5074907957919023 Energy: 0.5184206449058641 Energy: 0.5074907957919023 Energy: 0.5184206449050477 Energy: 0.5074907957919023 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.5878911535282526 Energy: 0.5769667422160734 Energy: 0.546152527017297 Energy: 0.532899993748554 Energy: 0.546152527017297 Energy: 0.532899993748554 Energy: 0.546152527017297 Energy: 0.5328999937477376 Energy: 0.5129911905104481 Energy: 0.510335148210572 Energy: 0.5129911905104481 Energy: 0.510335148210572 Energy: 0.5129911905104481 Energy: 0.510335148210572 Energy: 0.5476473385881618 Energy: 0.5329060048315472 Energy: 0.5476473385889783 Energy: 0.5329060048315472 Energy: 0.5476473385881618 Energy: 0.5329060048307306 minimum gb energy = 0.5074907957919023 eV minimum distance = 2.58668027559686 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5833392033836872 Energy: 0.5486950401604999 Energy: 0.5833392033836872 Energy: 0.5486950401604999 Energy: 0.5833392033836872 Energy: 0.5486950401604999 Energy: 0.5693871402306675 Energy: 0.5711247506498804 Energy: 0.5693871402306675 Energy: 0.5711247506492138 Energy: 0.5693871402313342 Energy: 0.5711247506498804 Energy: 0.5734087166720174 Energy: 0.564125923416116 Energy: 0.6245786806165866 Energy: 0.5641259234174494 Energy: 0.6245786806152532 Energy: 0.5641259234181161 Energy: 0.5630614260886025 Energy: 0.5971359247097259 Energy: 0.5630614260886025 Energy: 0.5971359247097259 Energy: 0.5630614260886025 Energy: 0.5971359247097259 Energy: 0.5617947886434366 Energy: 0.5702577553789645 Energy: 0.5617947886441031 Energy: 0.5702577553789645 Energy: 0.5617947886434366 Energy: 0.5702577553776311 Energy: 0.5650504276164985 Energy: 0.5714360422864148 Energy: 0.5650504276164985 Energy: 0.5714360422864148 Energy: 0.5650504276164985 Energy: 0.5714360422864148 Energy: 0.5625717996016402 Energy: 0.598365432667321 Energy: 0.5625717996016402 Energy: 0.5983654326679876 Energy: 0.5625717996009735 Energy: 0.5983654326666543 Energy: 0.5611131624985787 Energy: 0.5816073441961682 Energy: 0.5611131625005786 Energy: 0.5816073441955015 Energy: 0.5611131624992454 Energy: 0.5816073441955015 Energy: 0.6313871035641205 Energy: 0.5810161520101378 Energy: 0.6313871035641205 Energy: 0.5810161520121377 Energy: 0.6313871035641205 Energy: 0.5810161520134711 Energy: 0.5633478756440207 Energy: 0.5722769256825675 Energy: 0.5633478756440207 Energy: 0.5722769256825675 Energy: 0.563347875643354 Energy: 0.5722769256825675 Energy: 0.5517934802536709 Energy: 0.5714517520499344 Energy: 0.5517934802530042 Energy: 0.571451752049298 Energy: 0.5517934802543377 Energy: 0.571451752050601 Energy: 0.5951880827705198 Energy: 0.5775618107005068 Energy: 0.5951880827698531 Energy: 0.57756181069984 Energy: 0.5951880827698531 Energy: 0.57756181069984 Energy: 0.570755853254523 Energy: 0.6377171754100194 Energy: 0.5707558532538564 Energy: 0.6377171759850886 Energy: 0.570755853254523 Energy: 0.6377171754200195 Energy: 0.5635246911656777 Energy: 0.5685706012847987 Energy: 0.5635246911656777 Energy: 0.5685706012854655 Energy: 0.5635246911656777 Energy: 0.5685706012861321 Energy: 0.591713065344589 Energy: 0.5694655847977372 Energy: 0.591713065344589 Energy: 0.5694655847957373 Energy: 0.591713065344589 Energy: 0.5694655847970705 Energy: 0.5857685696232325 Energy: 0.5662438520324297 Energy: 0.5857685696232325 Energy: 0.566243852033763 Energy: 0.5857685696232325 Energy: 0.5662438520324297 Energy: 0.5785715442982544 Energy: 0.5668438773895552 Energy: 0.5785715443002545 Energy: 0.5668438773888885 Energy: 0.5785715442955878 Energy: 0.5668438773895552 Energy: 0.6129329212943573 Energy: 0.5752377294954427 Energy: 0.6129329212943573 Energy: 0.5752377294954427 Energy: 0.6129329212943573 Energy: 0.5752377294947761 Energy: 0.557367309523621 Energy: 0.5715460350971143 Energy: 0.5573673095242877 Energy: 0.5715460350971143 Energy: 0.557367309523621 Energy: 0.5715460350971143 Energy: 0.5630074595282071 Energy: 0.5497040034568547 Energy: 0.5630074595282071 Energy: 0.5497040034568547 Energy: 0.5630074595282071 Energy: 0.5497040034575212 Energy: 0.5936100190828075 Energy: 0.5761308552933099 Energy: 0.5936100190828075 Energy: 0.5761308552933099 Energy: 0.5936100190828075 Energy: 0.5761308552933099 minimum gb energy = 0.5486950401604999 eV minimum distance = 2.58777918504748 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.6028331717654679 Energy: 0.6182068896465182 Energy: 0.6028331717547906 Energy: 0.6182068896465182 Energy: 0.602833171784549 Energy: 0.6182068896465182 Energy: 0.5838595999922377 Energy: 0.5818225341636466 Energy: 0.5838595999922377 Energy: 0.5818225341642086 Energy: 0.5838595999916757 Energy: 0.5818225341642086 Energy: 0.5674340881074508 Energy: 0.5597104396847445 Energy: 0.5674340881068889 Energy: 0.5597104396841825 Energy: 0.5674340881074508 Energy: 0.5597104396847445 Energy: 0.5660499518170632 Energy: 0.5780344158821559 Energy: 0.5660499518170632 Energy: 0.5780344158815939 Energy: 0.5660499518181872 Energy: 0.5780344158815939 Energy: 0.5599801459213827 Energy: 0.5671338088109955 Energy: 0.5599801459213827 Energy: 0.5671338088109955 Energy: 0.5599801459208207 Energy: 0.5671338088109955 Energy: 0.5687511968263607 Energy: 0.5883100854208333 Energy: 0.5687511968269225 Energy: 0.5883100854197093 Energy: 0.5687511968269225 Energy: 0.5883100854197093 Energy: 0.5774845395395093 Energy: 0.5805147859362405 Energy: 0.5774845395411952 Energy: 0.5805147859362405 Energy: 0.5774845395400713 Energy: 0.5805147859362405 Energy: 0.5786964661257507 Energy: 0.5641523136222809 Energy: 0.5786964661257507 Energy: 0.5641523136228429 Energy: 0.5786964661257507 Energy: 0.5641523136222809 Energy: 0.563598152402881 Energy: 0.5681060216509973 Energy: 0.563598152402881 Energy: 0.5681060216515593 Energy: 0.5635981524034429 Energy: 0.5681060216526833 Energy: 0.5661119742382473 Energy: 0.5657642552067164 Energy: 0.5661119742399332 Energy: 0.5657642552084023 Energy: 0.5661119742388093 Energy: 0.5657642552084023 Energy: 0.5660070017745495 Energy: 0.5736261199083743 Energy: 0.5660070017745495 Energy: 0.5736261199066884 Energy: 0.5660070017751114 Energy: 0.5736261199089362 Energy: 0.5835360367761749 Energy: 0.5757594648460718 Energy: 0.5835360367784227 Energy: 0.5757594648460718 Energy: 0.5835360367778608 Energy: 0.5757594648460718 Energy: 0.5804495233311328 Energy: 0.5786423418379981 Energy: 0.5804495233311328 Energy: 0.57864234183856 Energy: 0.5804495233316948 Energy: 0.57864234183856 Energy: 0.5659454726328393 Energy: 0.5610154349463251 Energy: 0.5659454726334013 Energy: 0.5610154349463251 Energy: 0.5659454726322773 Energy: 0.5610154349457631 Energy: 0.5691893669863021 Energy: 0.5928297122971101 Energy: 0.5691893669863021 Energy: 0.5928297122965481 Energy: 0.5691893669863021 Energy: 0.5928297122971101 Energy: 0.5827947897339799 Energy: 0.569126008159524 Energy: 0.5827947897339799 Energy: 0.569126008159524 Energy: 0.5827947897339799 Energy: 0.5691260081589621 Energy: 0.5774184582748912 Energy: 0.5638678705730694 Energy: 0.5774184582748912 Energy: 0.5638678705730694 Energy: 0.5774184582748912 Energy: 0.5638678705730694 Energy: 0.5805074368565206 Energy: 0.5596441205110622 Energy: 0.5805074368576445 Energy: 0.5596441205110622 Energy: 0.5805074368570826 Energy: 0.5596441205110622 Energy: 0.5533628659278256 Energy: 0.5600777855710342 Energy: 0.5533628659283876 Energy: 0.5600777855704722 Energy: 0.5533628659278256 Energy: 0.560077785571596 Energy: 0.6028331716126658 Energy: 0.6182068896465182 Energy: 0.6028331716222193 Energy: 0.6182068896465182 Energy: 0.6028331716036744 Energy: 0.6182068896465182 Energy: 0.5838595999916757 Energy: 0.5818225341647704 Energy: 0.5838595999916757 Energy: 0.5818225341647704 Energy: 0.5838595999916757 Energy: 0.5818225341647704 Energy: 0.5674340881080128 Energy: 0.5597104396847445 Energy: 0.5674340881080128 Energy: 0.5597104396836206 Energy: 0.5674340881080128 Energy: 0.5597104396836206 Energy: 0.5660499518176253 Energy: 0.5780344158821559 Energy: 0.5660499518176253 Energy: 0.5780344158815939 Energy: 0.5660499518181872 Energy: 0.5780344158815939 Energy: 0.5599801459219447 Energy: 0.5671338088109955 Energy: 0.5599801459213827 Energy: 0.5671338088109955 Energy: 0.5599801459219447 Energy: 0.5671338088109955 Energy: 0.5687511968269225 Energy: 0.5883100854213952 Energy: 0.5687511968269225 Energy: 0.5883100854208333 Energy: 0.5687511968274845 Energy: 0.5883100854208333 minimum gb energy = 0.5533628659278256 eV minimum distance = 2.59924854332702 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.565470097558408 Energy: 0.583829582245608 Energy: 0.565470097557923 Energy: 0.5838295822426977 Energy: 0.565470097557923 Energy: 0.583829582244638 Energy: 0.5819485990556273 Energy: 0.5652506665920144 Energy: 0.5819485990551422 Energy: 0.5652506665920144 Energy: 0.5819485990546571 Energy: 0.5652506665915292 Energy: 0.5714655523203526 Energy: 0.541426532752218 Energy: 0.6162906782044402 Energy: 0.5414265327536731 Energy: 0.5758289457011673 Energy: 0.541426532752703 Energy: 0.5418356825064977 Energy: 0.5845715385108794 Energy: 0.5418356825064977 Energy: 0.5845715385108794 Energy: 0.5418356825069828 Energy: 0.5845715385108794 Energy: 0.5763101768698485 Energy: 0.5869031495414356 Energy: 0.5763101768693635 Energy: 0.5869031495419207 Energy: 0.5763101768693635 Energy: 0.5869031495414356 Energy: 0.5920949442672316 Energy: 0.5481701922422932 Energy: 0.5920949442672316 Energy: 0.5481701922427783 Energy: 0.5920949442672316 Energy: 0.5481701922427783 Energy: 0.5450727556092116 Energy: 0.5953594362030925 Energy: 0.5450727556101818 Energy: 0.5953594362030925 Energy: 0.5450727556101818 Energy: 0.5953594362035777 Energy: 0.5559326779655884 Energy: 0.5979223429053564 Energy: 0.5559326779655884 Energy: 0.5979223429082667 Energy: 0.5559326779655884 Energy: 0.5979223429077817 Energy: 0.6041059085277324 Energy: 0.5346423573805599 Energy: 0.6041059085282174 Energy: 0.5346423573815299 Energy: 0.6041059085277324 Energy: 0.5346423573815299 Energy: 0.573787897216173 Energy: 0.5766016734298305 Energy: 0.573787897216658 Energy: 0.5766016734293454 Energy: 0.573787897216173 Energy: 0.5766016734298305 Energy: 0.536066743663723 Energy: 0.6182864633014141 Energy: 0.5360667436617826 Energy: 0.6182864633014141 Energy: 0.5360667436622677 Energy: 0.6182864633014141 Energy: 0.6202372834671088 Energy: 0.5428492343177949 Energy: 0.6202372834719595 Energy: 0.5428492343173099 Energy: 0.6202372834768103 Energy: 0.5428492343187651 Energy: 0.5779793681393004 Energy: 0.563934564696345 Energy: 0.5779793681393004 Energy: 0.5639345646953747 Energy: 0.5779793681393004 Energy: 0.5639345646958599 Energy: 0.5468603844332771 Energy: 0.5856249579066841 Energy: 0.5468603844327921 Energy: 0.5856249579061991 Energy: 0.5468603844332771 Energy: 0.5856249579061991 Energy: 0.6038630419094884 Energy: 0.5450529898124752 Energy: 0.6038630419094884 Energy: 0.545052990432141 Energy: 0.6038630419094884 Energy: 0.5450529900170902 Energy: 0.5734084372290245 Energy: 0.5352090575306859 Energy: 0.5734084372314497 Energy: 0.5352090575287456 Energy: 0.5734084372348454 Energy: 0.5352090575292306 Energy: 0.546563998009018 Energy: 0.5842475765907569 Energy: 0.5465639980095032 Energy: 0.5842475765907569 Energy: 0.5465639980095032 Energy: 0.5842475765907569 Energy: 0.5785003271234472 Energy: 0.5771716551834422 Energy: 0.5785003271229621 Energy: 0.5771716551902332 Energy: 0.5785003271234472 Energy: 0.5771716551839272 Energy: 0.576089242295351 Energy: 0.5474324851257582 Energy: 0.576089242295836 Energy: 0.5474324851257582 Energy: 0.576089242295836 Energy: 0.5474324851252731 Energy: 0.554345153867908 Energy: 0.5833006640040332 Energy: 0.554345153867908 Energy: 0.5833006640040332 Energy: 0.554345153867423 Energy: 0.5833006640040332 Energy: 0.5476569405553499 Energy: 0.5967154767800126 Energy: 0.5476569405563201 Energy: 0.5967154767809827 Energy: 0.5476569405563201 Energy: 0.5967154767814679 Energy: 0.6050713725706124 Energy: 0.541397906153267 Energy: 0.6050713725696422 Energy: 0.541397906153267 Energy: 0.6050713725706124 Energy: 0.541397906153267 Energy: 0.5909423364151846 Energy: 0.5731580685734862 Energy: 0.5909423364151846 Energy: 0.5731580685730011 Energy: 0.5909423364151846 Energy: 0.5731580685734862 Energy: 0.5619424357619094 Energy: 0.5805952389086634 Energy: 0.5619424357614243 Energy: 0.5805952389072082 Energy: 0.5619424357619094 Energy: 0.5805952389072082 Energy: 0.576618420663403 Energy: 0.5414243880095977 Energy: 0.576618420663403 Energy: 0.5414243879960154 Energy: 0.576618420663403 Energy: 0.5414243879960154 Energy: 0.5791536307484138 Energy: 0.5561492694913528 Energy: 0.5791536307484138 Energy: 0.5561492694908677 Energy: 0.5791536307484138 Energy: 0.5561492694903827 Energy: 0.5329332739725221 Energy: 0.5842804703255515 Energy: 0.5329332739725221 Energy: 0.5842804703250664 Energy: 0.5329332739725221 Energy: 0.5842804703255515 Energy: 0.5802536605106112 Energy: 0.5580852753866208 Energy: 0.5802536605101262 Energy: 0.5580852753851654 Energy: 0.5802536605106112 Energy: 0.5580852753841953 Energy: 0.5777886064774411 Energy: 0.547605846029499 Energy: 0.5777886064788964 Energy: 0.5476058460290141 Energy: 0.5777886064793815 Energy: 0.547605846029499 minimum gb energy = 0.5329332739725221 eV minimum distance = 2.58444950555547 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.527695845059944 Energy: 0.5845107782275224 Energy: 0.527695845059944 Energy: 0.5845107782279488 Energy: 0.5276958450603705 Energy: 0.5845107782275224 Energy: 0.5597671262234756 Energy: 0.536847460284133 Energy: 0.5597671228111858 Energy: 0.5409753878741086 Energy: 0.5597671229369179 Energy: 0.5321448071387015 Energy: 0.582115080100292 Energy: 0.5149402778842855 Energy: 0.5821150800998656 Energy: 0.5149402778834327 Energy: 0.5821150800998656 Energy: 0.5149402778842855 Energy: 0.5000606955307274 Energy: 0.5630384677732789 Energy: 0.5000606955307274 Energy: 0.591692641778963 Energy: 0.5000606955311538 Energy: 0.5831093680073668 Energy: 0.5386444608668588 Energy: 0.5480456163826269 Energy: 0.5386444608677117 Energy: 0.5480456163839061 Energy: 0.5386444608672851 Energy: 0.5480456163830535 Energy: 0.5852817404978168 Energy: 0.5097310499073376 Energy: 0.5852817404961111 Energy: 0.5097310499077641 Energy: 0.5852817404982432 Energy: 0.5097310499073376 Energy: 0.5334659596527213 Energy: 0.5536521535829251 Energy: 0.53346595964931 Energy: 0.5536521535829251 Energy: 0.5334659596450458 Energy: 0.5536521535833515 Energy: 0.500063393768698 Energy: 0.5639385464868671 Energy: 0.5000633937682718 Energy: 0.567039278807771 Energy: 0.5000633937691246 Energy: 0.5679018415567371 Energy: 0.5841149028464541 Energy: 0.5103705922257178 Energy: 0.5841149028464541 Energy: 0.5103705922261442 Energy: 0.5841149028460277 Energy: 0.5103705922257178 Energy: 0.5335941433835575 Energy: 0.5571022364844715 Energy: 0.5335941433848366 Energy: 0.5913778417184967 Energy: 0.5335941433827046 Energy: 0.564733658800659 Energy: 0.49890718600098805 Energy: 0.6207144774588266 Energy: 0.49890718600056166 Energy: 0.6207144774584001 Energy: 0.49890718600056166 Energy: 0.6207144774588266 Energy: 0.5690335296606427 Energy: 0.5299723548976839 Energy: 0.5690335296619219 Energy: 0.5368621757681337 Energy: 0.5690335296606427 Energy: 0.523951855211332 Energy: 0.5714269264049732 Energy: 0.5150476790207322 Energy: 0.5714269264045466 Energy: 0.5150476791886593 Energy: 0.5714269264049732 Energy: 0.5150476788758116 Energy: 0.5303960659161986 Energy: 0.576762499976042 Energy: 0.5303960659157722 Energy: 0.5767624999751891 Energy: 0.5303960659157722 Energy: 0.5767624999756157 Energy: 0.561258393918623 Energy: 0.5482349855382961 Energy: 0.5612583939147853 Energy: 0.5482349855387225 Energy: 0.5612583939237399 Energy: 0.5482349855387225 Energy: 0.5832225403460823 Energy: 0.5162584427443511 Energy: 0.5832225403460823 Energy: 0.5162584427443511 Energy: 0.5832225403460823 Energy: 0.5162584427443511 Energy: 0.49943377101826447 Energy: 0.5614854014804622 Energy: 0.49943377101826447 Energy: 0.5614854014808887 Energy: 0.49943377101741177 Energy: 0.5614854014804622 Energy: 0.4969702311865374 Energy: 0.5795893481102322 Energy: 0.49697023118611106 Energy: 0.5795893481153297 Energy: 0.49697023118611106 Energy: 0.5795893481085266 Energy: 0.5850804238121079 Energy: 0.5104464071101293 Energy: 0.5850804238121079 Energy: 0.5104464071101293 Energy: 0.5850804238142399 Energy: 0.5104464071092767 Energy: 0.5337491892028495 Energy: 0.5535656669439787 Energy: 0.5337491892024231 Energy: 0.5535656669435717 Energy: 0.5337491892024231 Energy: 0.5535656669439787 Energy: 0.5058981859165741 Energy: 0.6106853516113351 Energy: 0.5058981859165741 Energy: 0.6106853516117614 Energy: 0.5058981859161475 Energy: 0.6106853516117614 Energy: 0.5745725934164716 Energy: 0.5098302906998962 Energy: 0.5745725934164716 Energy: 0.5098302907003226 Energy: 0.5745725934164716 Energy: 0.509830290700749 Energy: 0.5741895924211121 Energy: 0.5073597011252372 Energy: 0.5741895924211121 Energy: 0.507359701123958 Energy: 0.5741895924215384 Energy: 0.5073597011243844 Energy: 0.5000313054952202 Energy: 0.586955794645811 Energy: 0.5000313054960731 Energy: 0.586955794645811 Energy: 0.5000313054964994 Energy: 0.5869557946453845 Energy: 0.5693042605444354 Energy: 0.5460684161193499 Energy: 0.5693042605452882 Energy: 0.5460684161193499 Energy: 0.5693042605452882 Energy: 0.5460684161193499 Energy: 0.5749125570602757 Energy: 0.5162633486261716 Energy: 0.5749125570602757 Energy: 0.5162633486257452 Energy: 0.5749125570602757 Energy: 0.5162633486253188 Energy: 0.5278863061034302 Energy: 0.5641378710395732 Energy: 0.5278863061034302 Energy: 0.5641378710395732 Energy: 0.5278863061025775 Energy: 0.5641378710395732 Energy: 0.5297424870652723 Energy: 0.5755641350905666 Energy: 0.5297362267066715 Energy: 0.5755641350914193 Energy: 0.5297394379275762 Energy: 0.5755641350909929 Energy: 0.5868375608778512 Energy: 0.5147905146945665 Energy: 0.5868375608774249 Energy: 0.5147905146949929 Energy: 0.5868375608774249 Energy: 0.5147905146945665 Energy: 0.4975997566398192 Energy: 0.5625993557855593 Energy: 0.4975997507209106 Energy: 0.5625993557859856 Energy: 0.49759976347081414 Energy: 0.5625993557859856 Energy: 0.4993457781304324 Energy: 0.5698871423856369 Energy: 0.49934577813000597 Energy: 0.5698871423852105 Energy: 0.49934577813085873 Energy: 0.5698871423852105 Energy: 0.5745737390120769 Energy: 0.5098484728270121 Energy: 0.5745737390116504 Energy: 0.5098484728282913 Energy: 0.5745737390116504 Energy: 0.5098484728287177 Energy: 0.5709443541833344 Energy: 0.5073224943397672 Energy: 0.5709443541841874 Energy: 0.5073224943389144 Energy: 0.570944354183761 Energy: 0.5073224943397672 minimum gb energy = 0.49697023118611106 eV minimum distance = 2.59929720079942 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011733830895586531 Energy: 0.3926119502580898 Energy: 0.011733830895940819 Energy: 0.3926119502584441 Energy: 0.011733830895940819 Energy: 0.3926119502577552 Energy: 0.013071489890653279 Energy: 0.17518083541353457 Energy: 0.013071489890653279 Energy: 0.17518083541318027 Energy: 0.013071489890653279 Energy: 0.17518083541353457 Energy: 0.9499458400356714 Energy: 0.17555242486804953 Energy: 0.39309229292627085 Energy: 0.17555424142395404 Energy: 0.393102635445786 Energy: 0.17555341281178696 Energy: 0.013071489890653279 Energy: 0.17518083541318027 Energy: 0.013071489890298991 Energy: 0.17518083541318027 Energy: 0.013071489890653279 Energy: 0.17518083541318027 minimum gb energy = 0.011733830895586531 eV minimum distance = 2.83530824443928 Angstroms sigma value = 1