Model name: model_name=SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.521521747112274 cohesive_energy=2.8873704626537773 mass=58.6934 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: -2.89356288719753 eV ======================================== theta = 0.0 ======================================== Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 0.011787535760633077 Energy: 1.0437728489905407 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 1.0437728489905407 Energy: 0.012421885906610683 Energy: 1.0437728489905407 Energy: 0.012421885906610683 minimum gb energy = 0.011787535760633077 eV minimum distance = 2.48721529203038 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.3551836691030323 Energy: 1.2883360260378156 Energy: 1.3551836691030323 Energy: 1.2883360260378156 Energy: 1.3551836691030323 Energy: 1.2883360260378156 Energy: 1.325631949174232 Energy: 1.214115963477988 Energy: 1.325631949174232 Energy: 1.214115963477988 Energy: 1.3256319491750275 Energy: 1.214115963477988 Energy: 1.2827062083989031 Energy: 1.3329476781555745 Energy: 1.2827062083989031 Energy: 1.3329476781555745 Energy: 1.2827062083989031 Energy: 1.3329476781555745 Energy: 1.4395634009617633 Energy: 1.2683211379318327 Energy: 1.4395634009617633 Energy: 1.2683211379318327 Energy: 1.4395634009617633 Energy: 1.2683211379318327 Energy: 1.2853972313904742 Energy: 1.3729663750901948 Energy: 1.2853972313904742 Energy: 1.3729663750901948 Energy: 1.2853972313904742 Energy: 1.3729663750901948 Energy: 1.3453782040023208 Energy: 1.2398262845503631 Energy: 1.3453782040023208 Energy: 1.2398262845503631 Energy: 1.3453782040023208 Energy: 1.2398262845503631 Energy: 1.2867781516748336 Energy: 1.3207604427388906 Energy: 1.2867781516748336 Energy: 1.3207604427388906 Energy: 1.2867781516748336 Energy: 1.3207604427388906 Energy: 1.2643536340420523 Energy: 1.4317159786010865 Energy: 1.2643536340420523 Energy: 1.4317159786010865 Energy: 1.2643536340420523 Energy: 1.4317159786010865 Energy: 1.371141283020932 Energy: 1.332200756153257 Energy: 1.371141283020932 Energy: 1.332200756153257 Energy: 1.371141283020932 Energy: 1.332200756153257 Energy: 1.194354231341094 Energy: 1.405932408036131 Energy: 1.1943542313402986 Energy: 1.405932408036131 Energy: 1.1943542313402986 Energy: 1.405932408036131 Energy: 1.3150887881437348 Energy: 1.2260405546136859 Energy: 1.3150887881437348 Energy: 1.2260405546136859 Energy: 1.3150887881437348 Energy: 1.2260405546136859 Energy: 1.1986603494668264 Energy: 1.3082580560486308 Energy: 1.1986603494668264 Energy: 1.3082580560892016 Energy: 1.1986603494668264 Energy: 1.3082580559396833 Energy: 1.4591562102852138 Energy: 1.1792778243724054 Energy: 1.4591562102860092 Energy: 1.1792778243724054 Energy: 1.4591562102860092 Energy: 1.1792778243724054 Energy: 1.2539835511376718 Energy: 1.261913856982877 Energy: 1.2539835511376718 Energy: 1.2619138569820816 Energy: 1.2539835511376718 Energy: 1.2619138569820816 Energy: 1.4937234238488057 Energy: 1.2164377898521797 Energy: 1.4937234238488057 Energy: 1.2164377898521797 Energy: 1.4937234238496013 Energy: 1.2164377898521797 Energy: 1.4943954017021148 Energy: 1.3516281514468276 Energy: 1.4943954017013192 Energy: 1.3516281514468276 Energy: 1.4943954017013192 Energy: 1.3516281514468276 Energy: 1.3012413530029583 Energy: 1.3208083179740255 Energy: 1.3012413530029583 Energy: 1.3208083179740255 Energy: 1.3012413530029583 Energy: 1.3208083179740255 Energy: 1.3037762177389964 Energy: 1.274892080347059 Energy: 1.3037762177389964 Energy: 1.274892080347059 Energy: 1.3037762177389964 Energy: 1.274892080347059 Energy: 1.2659705110746942 Energy: 1.2647423293650366 Energy: 1.2659705110746942 Energy: 1.2647423293650366 Energy: 1.2659705110746942 Energy: 1.2647423293650366 Energy: 1.3591617219704837 Energy: 1.2401298120724054 Energy: 1.3591617219704837 Energy: 1.2401298120716098 Energy: 1.359161721971279 Energy: 1.2401298120716098 Energy: 1.2326639758618763 Energy: 1.4267491759961848 Energy: 1.2326639758618763 Energy: 1.4267491759961848 Energy: 1.2326639758618763 Energy: 1.426749175995389 Energy: 1.3404138595959953 Energy: 1.3229301366360477 Energy: 1.3404138595959953 Energy: 1.3229301366360477 Energy: 1.3404138595959953 Energy: 1.3229301366360477 Energy: 1.1679139198252644 Energy: 1.4405963225793055 Energy: 1.1679139198244686 Energy: 1.4405963225793055 Energy: 1.1679139198252644 Energy: 1.4405963225793055 minimum gb energy = 1.1679139198244686 eV minimum distance = 2.19513420764666 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.5096778341219792 Energy: 1.3781769842410807 Energy: 1.5096778341219792 Energy: 1.3781769842410807 Energy: 1.5096778341219792 Energy: 1.3781769842410807 Energy: 1.4312739605922968 Energy: 1.2610833661913956 Energy: 1.4312739605922968 Energy: 1.2610833661913956 Energy: 1.4312739605922968 Energy: 1.261083366190943 Energy: 1.2436295088221196 Energy: 1.2668371016546927 Energy: 1.2436295088221196 Energy: 1.2668371016546927 Energy: 1.2436295088221196 Energy: 1.2668371016546927 Energy: 1.3527639170828218 Energy: 1.3474901558288674 Energy: 1.3527639170828218 Energy: 1.3474901558288674 Energy: 1.3527639170823693 Energy: 1.3474901558284151 Energy: 1.2953822881275263 Energy: 1.3420429321662695 Energy: 1.2953822881275263 Energy: 1.3420429321662695 Energy: 1.2953822881275263 Energy: 1.3420429321662695 Energy: 1.2264134591643054 Energy: 1.2424716613190143 Energy: 1.2264134591643054 Energy: 1.2424716613185618 Energy: 1.2264134591643054 Energy: 1.2424716613185618 Energy: 1.3745010462024472 Energy: 1.4055782458114556 Energy: 1.3745010462028997 Energy: 1.4055782458114556 Energy: 1.3745010462028997 Energy: 1.4055782458114556 Energy: 1.1753705095121196 Energy: 1.5046262148273915 Energy: 1.1753705095121196 Energy: 1.5046262148273915 Energy: 1.1753705095121196 Energy: 1.5046262148273915 Energy: 1.2329170640345661 Energy: 1.244105884663731 Energy: 1.2329170640345661 Energy: 1.244105884663731 Energy: 1.2329170640345661 Energy: 1.244105884663731 Energy: 1.2059871376701203 Energy: 1.4311291179760952 Energy: 1.2059871376701203 Energy: 1.4311291179760952 Energy: 1.2059871376705729 Energy: 1.4311291179760952 Energy: 1.4362423106256215 Energy: 1.2046461452024904 Energy: 1.4362423106256215 Energy: 1.2046461452024904 Energy: 1.4362423106256215 Energy: 1.2046461452024904 Energy: 1.2444241559207752 Energy: 1.3140998304105853 Energy: 1.2444241559207752 Energy: 1.3140998304105853 Energy: 1.2444241559207752 Energy: 1.3140998304105853 Energy: 1.3238431207361396 Energy: 1.188620311139144 Energy: 1.3238431207361396 Energy: 1.188620311139144 Energy: 1.3238431207361396 Energy: 1.188620311139144 Energy: 1.3349259530118192 Energy: 1.3582277631913093 Energy: 1.3349259530118192 Energy: 1.3582277631913093 Energy: 1.3349259530113666 Energy: 1.3582277631913093 Energy: 1.3543487275118422 Energy: 1.2709840842724665 Energy: 1.3543487275118422 Energy: 1.2709840842724665 Energy: 1.3543487275118422 Energy: 1.2709840842724665 Energy: 1.2420623817078638 Energy: 1.2553689318214656 Energy: 1.2420623817078638 Energy: 1.2553689318214656 Energy: 1.2420623817078638 Energy: 1.2553689318214656 Energy: 1.3522041905246538 Energy: 1.3361903836069695 Energy: 1.3522041905246538 Energy: 1.3361903836069695 Energy: 1.3522041905246538 Energy: 1.3361903836069695 Energy: 1.2990924313801604 Energy: 1.2423307938745318 Energy: 1.2990924313801604 Energy: 1.2423307938745318 Energy: 1.2990924313801604 Energy: 1.2423307938745318 Energy: 1.2261303544310809 Energy: 1.2644233353249636 Energy: 1.2261303544310809 Energy: 1.2644233353249636 Energy: 1.2261303544315334 Energy: 1.264423335324511 Energy: 1.378712284943725 Energy: 1.4168759238726292 Energy: 1.378712284943725 Energy: 1.4168759238726292 Energy: 1.378712284943725 Energy: 1.4168759238726292 Energy: 1.1744287357895111 Energy: 1.4381608134369035 Energy: 1.1744287357895111 Energy: 1.4381608134369035 Energy: 1.1744287357895111 Energy: 1.4381608134369035 Energy: 1.2669245197214358 Energy: 1.245093847765237 Energy: 1.2669245197209833 Energy: 1.245093847765237 Energy: 1.2669245197209833 Energy: 1.245093847765237 Energy: 1.2089032120240195 Energy: 1.4255800521669055 Energy: 1.2089032120240195 Energy: 1.425580052166453 Energy: 1.2089032120240195 Energy: 1.425580052166453 Energy: 1.4318816977882545 Energy: 1.3069568536473481 Energy: 1.4318816977882545 Energy: 1.3069568536473481 Energy: 1.4318816977882545 Energy: 1.3069568536473481 Energy: 1.2445525542643225 Energy: 1.22546422173821 Energy: 1.24455255426387 Energy: 1.22546422173821 Energy: 1.2445525542643225 Energy: 1.22546422173821 Energy: 1.4692516316823783 Energy: 1.3718864019725352 Energy: 1.469251631680116 Energy: 1.3718864019720827 Energy: 1.4692516316805684 Energy: 1.3718864019720827 Energy: 1.4688442995953044 Energy: 1.3612982871589077 Energy: 1.468844299595757 Energy: 1.3612982871589077 Energy: 1.4688442995953044 Energy: 1.3612982871584551 Energy: 1.2442585628994423 Energy: 1.2664321989219598 Energy: 1.2442585628994423 Energy: 1.2664321989219598 Energy: 1.2442585628994423 Energy: 1.2664321989215073 Energy: 1.4253428802059092 Energy: 1.262457714729807 Energy: 1.4253428802059092 Energy: 1.262457714729807 Energy: 1.4253428802059092 Energy: 1.262457714729807 Energy: 1.2102841194502703 Energy: 1.4605836754370738 Energy: 1.2102841194502703 Energy: 1.4605836754370738 Energy: 1.2102841194502703 Energy: 1.4605836754370738 Energy: 1.3012213920430604 Energy: 1.243937761127019 Energy: 1.3012213921086289 Energy: 1.243937761127019 Energy: 1.3012213920281288 Energy: 1.243937761127019 Energy: 1.1849339117093107 Energy: 1.4053177052817827 Energy: 1.1849339117093107 Energy: 1.405317705282235 Energy: 1.1849339117093107 Energy: 1.405317705282235 Energy: 1.3738203322509377 Energy: 1.416584556538835 Energy: 1.3738203322509377 Energy: 1.4165845565392872 Energy: 1.3738203322509377 Energy: 1.416584556538835 Energy: 1.2700879483531047 Energy: 1.3540902559116834 Energy: 1.2700879483535568 Energy: 1.3540902559116834 Energy: 1.2700879483535568 Energy: 1.3540902559116834 Energy: 1.2678294749069532 Energy: 1.2425844769695091 Energy: 1.2678294749069532 Energy: 1.2425844769695091 Energy: 1.2678294749069532 Energy: 1.2425844769695091 Energy: 1.3330238242557875 Energy: 1.3476002529723266 Energy: 1.3330238242557875 Energy: 1.3476002529723266 Energy: 1.3330238242557875 Energy: 1.3476002529723266 Energy: 1.2421116428410335 Energy: 1.2970937194125303 Energy: 1.2421116428410335 Energy: 1.2970937194125303 Energy: 1.2421116428410335 Energy: 1.2970937194125303 Energy: 1.242251745416904 Energy: 1.228284873432669 Energy: 1.242251745416904 Energy: 1.228284873432669 Energy: 1.242251745416904 Energy: 1.228284873432669 Energy: 1.3348673661203607 Energy: 1.3608472128109823 Energy: 1.3348673661203607 Energy: 1.3608472128109823 Energy: 1.3348673661203607 Energy: 1.3608472128109823 Energy: 1.4979295257557679 Energy: 1.175496556991772 Energy: 1.4979295257557679 Energy: 1.175496556991772 Energy: 1.4979295257557679 Energy: 1.175496556991772 Energy: 1.2460710592116009 Energy: 1.2286067716749254 Energy: 1.2460710592111484 Energy: 1.2286067716749254 Energy: 1.2460710592111484 Energy: 1.2286067716749254 minimum gb energy = 1.1744287357895111 eV minimum distance = 2.32008448234852 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 1.3442384200790916 Energy: 1.3519590382848103 Energy: 1.3442384200790916 Energy: 1.3519590382848103 Energy: 1.3442384200790916 Energy: 1.3519590382848103 Energy: 1.4440133047234207 Energy: 1.2798417179113473 Energy: 1.4440133047234207 Energy: 1.2798417179113473 Energy: 1.4440133047234207 Energy: 1.2798417179113473 Energy: 1.2417624720653282 Energy: 1.3289079649294098 Energy: 1.2417624720663767 Energy: 1.3289079649294098 Energy: 1.2417624720653282 Energy: 1.3289079649294098 Energy: 1.3051099246447253 Energy: 1.2052006757885727 Energy: 1.3051099246457738 Energy: 1.2052006757885727 Energy: 1.3051099246457738 Energy: 1.205200675787524 Energy: 1.3666002287605785 Energy: 1.2855989354884512 Energy: 1.3666002287605785 Energy: 1.2855989354884512 Energy: 1.3666002287605785 Energy: 1.2855989354884512 Energy: 1.3630443867374913 Energy: 1.2847191878018118 Energy: 1.3630443867385396 Energy: 1.2847191878018118 Energy: 1.3630443867385396 Energy: 1.2847191878018118 Energy: 1.2844540471919357 Energy: 1.2838723748469003 Energy: 1.2844540471908874 Energy: 1.2838723748469003 Energy: 1.2844540471919357 Energy: 1.2838723748469003 Energy: 1.2229003176341713 Energy: 1.2856713242121147 Energy: 1.2229003176341713 Energy: 1.2856713242121147 Energy: 1.2229003176341713 Energy: 1.2856713242121147 Energy: 1.548179570372378 Energy: 1.1996000396978896 Energy: 1.548179570372378 Energy: 1.1996000396978896 Energy: 1.548179570372378 Energy: 1.1996000396978896 Energy: 1.2441533860222196 Energy: 1.3718208597302868 Energy: 1.2441533860222196 Energy: 1.3718208597302868 Energy: 1.2441533860222196 Energy: 1.3718208597302868 Energy: 1.4297088493321466 Energy: 1.188485487246988 Energy: 1.4297088493321466 Energy: 1.1884854872459396 Energy: 1.4297088493321466 Energy: 1.1884854872459396 Energy: 1.3492883321633233 Energy: 1.353337461012872 Energy: 1.349288332164372 Energy: 1.353337461012872 Energy: 1.3492883321633233 Energy: 1.353337461012872 Energy: 1.4313565665760393 Energy: 1.2793732744314503 Energy: 1.4313565665760393 Energy: 1.2793732744314503 Energy: 1.4313565665760393 Energy: 1.2793732744314503 Energy: 1.2590536580625942 Energy: 1.2511862617858387 Energy: 1.2590536580625942 Energy: 1.2511862617858387 Energy: 1.2590536580625942 Energy: 1.2511862617858387 Energy: 1.3196524086768184 Energy: 1.32972483036924 Energy: 1.3196524086768184 Energy: 1.32972483036924 Energy: 1.319652408677867 Energy: 1.32972483036924 Energy: 1.3624095629718602 Energy: 1.2843966512652114 Energy: 1.3624095629718602 Energy: 1.2843966512652114 Energy: 1.3624095629718602 Energy: 1.2843966512652114 Energy: 1.3654336449184155 Energy: 1.3997952992800515 Energy: 1.3654336449184155 Energy: 1.3997952992800515 Energy: 1.3654336449184155 Energy: 1.3997952992800515 Energy: 1.300161451797284 Energy: 1.2905045727619397 Energy: 1.300161451797284 Energy: 1.2905045727619397 Energy: 1.300161451797284 Energy: 1.2905045727619397 minimum gb energy = 1.1884854872459396 eV minimum distance = 2.18322706190837 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.1318806667059786 Energy: 1.1328863014252006 Energy: 1.268135170200376 Energy: 1.341360537635667 Energy: 1.2681351701997543 Energy: 1.341360537635667 Energy: 1.2681351701997543 Energy: 1.341360537636289 Energy: 1.057431339664178 Energy: 1.339458745216113 Energy: 1.057431339664178 Energy: 1.339458745216113 Energy: 1.057431339664178 Energy: 1.339458745216113 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.099401816522737 Energy: 1.13002579361065 Energy: 1.099607413208634 Energy: 1.129935825983476 Energy: 1.099607413208634 Energy: 1.129935825983476 Energy: 1.099607413208634 Energy: 1.129935825983476 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.0574122646250674 Energy: 1.3398544309026732 Energy: 1.0574122646250674 Energy: 1.3398544309032954 Energy: 1.0574122646250674 Energy: 1.3398544309026732 Energy: 1.2683084207015447 Energy: 1.341246273041334 Energy: 1.2683084207021664 Energy: 1.341246273041334 Energy: 1.2683084207015447 Energy: 1.341246273041334 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.1318806667059786 Energy: 1.1328863014252006 Energy: 1.1318806667059786 Energy: 1.1328863014252006 Energy: 1.268135170200376 Energy: 1.341360537635667 Energy: 1.268135170200376 Energy: 1.341360537635667 Energy: 1.2681351701997543 Energy: 1.341360537635667 Energy: 1.057431339664178 Energy: 1.3394587452167348 Energy: 1.0574313396647996 Energy: 1.339458745216113 Energy: 1.0574313396647996 Energy: 1.339458745216113 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.099607413209256 Energy: 1.129935825983476 Energy: 1.099607413208634 Energy: 1.129935825983476 Energy: 1.099607413209256 Energy: 1.129935825983476 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.0574122646250674 Energy: 1.3398544309032954 Energy: 1.0574122646250674 Energy: 1.3398544309039173 Energy: 1.0574122646250674 Energy: 1.3398544309026732 Energy: 1.2683084207015447 Energy: 1.341246273041334 Energy: 1.2683084207021664 Energy: 1.341246273041334 Energy: 1.2683084207021664 Energy: 1.341246273041334 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.2681351701997543 Energy: 1.341360537635667 Energy: 1.2681351701997543 Energy: 1.341360537635667 Energy: 1.2681351701991326 Energy: 1.341360537635667 Energy: 1.0574313396647996 Energy: 1.339458745216113 Energy: 1.0574313396647996 Energy: 1.339458745216113 Energy: 1.057431339664178 Energy: 1.339458745216113 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.197254223504686 Energy: 1.057335578356274 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.0994018165221153 Energy: 1.13002579361065 Energy: 1.099607413208634 Energy: 1.129935825984098 Energy: 1.099607413208634 Energy: 1.129935825983476 Energy: 1.099607413208634 Energy: 1.129935825983476 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.1971742128355811 Energy: 1.0573128328478207 Energy: 1.0574122646250674 Energy: 1.3398544309032954 Energy: 1.0574122646250674 Energy: 1.3398544309032954 Energy: 1.0574122646250674 Energy: 1.3398544309026732 Energy: 1.2683084207015447 Energy: 1.341246273041334 Energy: 1.2683084207015447 Energy: 1.341246273041334 Energy: 1.2683084207021664 Energy: 1.341246273041334 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.1318806667059786 Energy: 1.1328863014252006 Energy: 1.1318806667053567 Energy: 1.1328863014252006 Energy: 1.2681351701997543 Energy: 1.341360537635667 Energy: 1.2681351701997543 Energy: 1.341360537635667 Energy: 1.268135170200376 Energy: 1.341360537635667 Energy: 1.0574313396647996 Energy: 1.339458745216113 Energy: 1.057431339664178 Energy: 1.339458745216113 Energy: 1.0574313396647996 Energy: 1.3394587452167348 minimum gb energy = 1.0573128328478207 eV minimum distance = 2.19925844556132 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 1.133599676977128 Energy: 1.0828302146254905 Energy: 1.133599676977128 Energy: 1.0828302146254905 Energy: 1.133599676977128 Energy: 1.0828302146254905 Energy: 1.277919399942125 Energy: 1.115971114916342 Energy: 1.277919399942125 Energy: 1.115971114916342 Energy: 1.277919399942125 Energy: 1.115971114916342 Energy: 1.094548566028425 Energy: 1.2558370632595386 Energy: 1.094548566028425 Energy: 1.2558370632595386 Energy: 1.094548566028425 Energy: 1.2558370632595386 Energy: 1.1958328450422029 Energy: 1.0458167294901854 Energy: 1.195832845097006 Energy: 1.0458167294886622 Energy: 1.1958328451929376 Energy: 1.0458167294886622 Energy: 1.3555166471305102 Energy: 1.0458720550858849 Energy: 1.3555166471305102 Energy: 1.0458720550858849 Energy: 1.3555166471305102 Energy: 1.0458720550858849 Energy: 1.2290883539855293 Energy: 1.2997561356341778 Energy: 1.2290883539855293 Energy: 1.2997561356341778 Energy: 1.2290883539855293 Energy: 1.2997561356341778 Energy: 1.0461907500471272 Energy: 1.1194628350372695 Energy: 1.0461907500471272 Energy: 1.1194628350372695 Energy: 1.0461907500471272 Energy: 1.1194628350372695 Energy: 1.1285324014637899 Energy: 1.0891036845677762 Energy: 1.1285324014637899 Energy: 1.0891036845677762 Energy: 1.1285324014637899 Energy: 1.0891036845677762 Energy: 1.194891557964259 Energy: 1.0937101998338707 Energy: 1.194891557964259 Energy: 1.093710199625252 Energy: 1.194891557964259 Energy: 1.093710199683136 Energy: 1.1626872417060827 Energy: 1.261992015300493 Energy: 1.1626872417060827 Energy: 1.2619920153020163 Energy: 1.1626872417060827 Energy: 1.261992015300493 Energy: 1.0835738790044016 Energy: 1.046371526248929 Energy: 1.0835738790044016 Energy: 1.0463715262504523 Energy: 1.0835738790044016 Energy: 1.046371526248929 Energy: 1.2824413483308514 Energy: 1.1958234517098913 Energy: 1.2824413483308514 Energy: 1.1958234517098913 Energy: 1.2824413483308514 Energy: 1.1958234517098913 minimum gb energy = 1.0458167294886622 eV minimum distance = 2.18410434907579 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 1.0869344715463625 Energy: 1.0367772421006678 Energy: 1.0869344715463625 Energy: 1.0367772421006678 Energy: 1.0869344715463625 Energy: 1.0367772421006678 Energy: 1.1985870914143046 Energy: 0.9860110347927997 Energy: 1.1985870844153015 Energy: 0.9860110347927997 Energy: 1.1985870882869705 Energy: 0.9860110347927997 Energy: 0.9462689214483008 Energy: 1.2127579149172774 Energy: 0.9462689214483008 Energy: 1.2127579149172774 Energy: 0.9462689214483008 Energy: 1.2127579149172774 Energy: 0.9906593089675312 Energy: 0.9589606774854357 Energy: 0.9906593089675312 Energy: 0.9589606774854357 Energy: 0.9906593089718113 Energy: 0.9589606774854357 Energy: 1.0321974041153408 Energy: 0.9971742930184454 Energy: 1.0321974041153408 Energy: 0.9971742930184454 Energy: 1.0321974041153408 Energy: 0.9971742930184454 Energy: 1.0626627069595136 Energy: 1.0454936598691225 Energy: 1.0626627069595136 Energy: 1.0454936598691225 Energy: 1.0626627069595136 Energy: 1.0454936598691225 Energy: 1.0031019147894202 Energy: 1.1026356471195184 Energy: 1.0031019147894202 Energy: 1.1026356471195184 Energy: 1.0031019147894202 Energy: 1.1026356471195184 Energy: 0.9281504723944587 Energy: 1.1332197105938144 Energy: 0.9281504723944587 Energy: 1.1332197105938144 Energy: 0.9281504723944587 Energy: 1.1332197105938144 Energy: 1.0710924480995512 Energy: 0.9968749959732361 Energy: 1.0710924481038313 Energy: 0.9968749959732361 Energy: 1.0710924480995512 Energy: 0.9968749959732361 Energy: 1.0324037282705074 Energy: 1.3288170213841763 Energy: 1.0324037282705074 Energy: 1.3288170213841763 Energy: 1.0324037282705074 Energy: 1.3288170213841763 Energy: 0.9900395677749144 Energy: 0.9660163574438728 Energy: 0.9900395677749144 Energy: 0.9660163574438728 Energy: 0.9900395677749144 Energy: 0.9660163574438728 Energy: 0.9780347417645228 Energy: 1.0446817428821542 Energy: 0.9780347417645228 Energy: 1.0446817428821542 Energy: 0.9780347417645228 Energy: 1.0446817428821542 Energy: 1.0478175266408658 Energy: 1.0126942372886105 Energy: 1.0478175266408658 Energy: 1.0126942372886105 Energy: 1.0478175266408658 Energy: 1.0126942372886105 Energy: 1.0824706947334959 Energy: 1.0336680229613495 Energy: 1.0824706947334959 Energy: 1.0336680229613495 Energy: 1.0824706947334959 Energy: 1.0336680229613495 Energy: 0.965729607210362 Energy: 1.0477456227737099 Energy: 0.965729607210362 Energy: 1.0477456227737099 Energy: 0.965729607210362 Energy: 1.0477456227737099 Energy: 0.9609732177420878 Energy: 1.0307502152064865 Energy: 0.9609732177420878 Energy: 1.0307502152064865 Energy: 0.9609732177420878 Energy: 1.0307502152064865 Energy: 1.2738543780314884 Energy: 0.9603615349902039 Energy: 1.2738543780314884 Energy: 0.9603615349902039 Energy: 1.2738543780314884 Energy: 0.9603615349902039 Energy: 0.9828995652329212 Energy: 0.9928338475158478 Energy: 0.9828995652329212 Energy: 0.9928338475158478 Energy: 0.9828995652329212 Energy: 0.9928338475158478 Energy: 0.9232889111902283 Energy: 1.2519366040075959 Energy: 0.9232889111902283 Energy: 1.2519366040075959 Energy: 0.9232889111902283 Energy: 1.2519366040075959 Energy: 1.138037627974055 Energy: 0.9920137186536399 Energy: 1.138037627974055 Energy: 0.9920137186536399 Energy: 1.138037627974055 Energy: 0.9920137186536399 Energy: 0.9233226973998802 Energy: 1.2513713562974165 Energy: 0.9233226973998802 Energy: 1.2513713562974165 Energy: 0.9233226973998802 Energy: 1.2513713562974165 Energy: 0.9833280513210265 Energy: 0.992878235077968 Energy: 0.9833280513210265 Energy: 0.992878235077968 Energy: 0.9833280513210265 Energy: 0.992878235077968 Energy: 1.273913344226042 Energy: 0.9603669543394041 Energy: 1.273913344226042 Energy: 0.9603669543394041 Energy: 1.273913344226042 Energy: 0.9603669543394041 Energy: 0.9607586753792331 Energy: 1.0048738109851225 Energy: 0.9607586753792331 Energy: 1.0048738109851225 Energy: 0.9607586753792331 Energy: 1.0048738109808426 Energy: 0.9660750141296119 Energy: 1.0477791977639286 Energy: 0.9660750141296119 Energy: 1.0477791977639286 Energy: 0.9660750141296119 Energy: 1.0477791977639286 Energy: 1.082466482362197 Energy: 1.0341123738007807 Energy: 1.082466482362197 Energy: 1.0341123738007807 Energy: 1.082466482362197 Energy: 1.0341123738007807 Energy: 1.0469325152869637 Energy: 1.0124817229522514 Energy: 1.0469325152826838 Energy: 1.0124817229522514 Energy: 1.0469325152869637 Energy: 1.0124817229522514 Energy: 0.9764810585215705 Energy: 0.9589598866066381 Energy: 0.9764810585215705 Energy: 0.9589598866066381 Energy: 0.9764810585215705 Energy: 0.9589598866066381 Energy: 0.990051797337729 Energy: 0.9661234702192754 Energy: 0.990051797337729 Energy: 0.9661234702192754 Energy: 0.990051797337729 Energy: 0.9661234702192754 Energy: 1.0326166388807139 Energy: 0.9290997271082682 Energy: 1.0326166388807139 Energy: 0.9290997271082682 Energy: 1.0326166388807139 Energy: 0.9290997271082682 Energy: 1.0713591440304246 Energy: 0.9964035530509655 Energy: 1.0713591440347046 Energy: 0.9964035530509655 Energy: 1.0713591440347046 Energy: 0.9964035530509655 Energy: 0.9281885369140505 Energy: 1.133054006062162 Energy: 0.9281885369140505 Energy: 1.133054006062162 Energy: 0.9281885369140505 Energy: 1.133054006062162 Energy: 1.0033769549699976 Energy: 1.1022070561789685 Energy: 1.0033769549699976 Energy: 1.1022070561789685 Energy: 1.0033769549699976 Energy: 1.1022070561789685 Energy: 1.0625461382473813 Energy: 0.9787975454647297 Energy: 1.0625461382473813 Energy: 0.9787975454647297 Energy: 1.0625461382473813 Energy: 0.9787975454647297 Energy: 1.03260083052358 Energy: 0.9969833551409119 Energy: 1.03260083052358 Energy: 0.9969833551409119 Energy: 1.03260083052358 Energy: 0.9969833551409119 Energy: 0.9903129480913093 Energy: 0.9588369888065243 Energy: 0.9903129480870293 Energy: 0.9588369888065243 Energy: 0.9903129480913093 Energy: 0.9588369888065243 Energy: 0.946190535297715 Energy: 1.213095924313788 Energy: 0.946190535297715 Energy: 1.213095924313788 Energy: 0.946190535297715 Energy: 1.213095924313788 Energy: 1.1990048841617258 Energy: 0.9939939897167556 Energy: 1.1990048841617258 Energy: 0.9939939897167556 Energy: 1.1990048841617258 Energy: 0.9939939897167556 Energy: 1.0869344715463625 Energy: 1.0367772421006678 Energy: 1.0869344715463625 Energy: 1.0367772421006678 Energy: 1.0869344715463625 Energy: 1.0367772421006678 Energy: 1.1985870518245687 Energy: 0.9256820082569988 Energy: 1.1985870576470716 Energy: 0.9256820082569988 Energy: 1.1985870541090888 Energy: 0.9256820082569988 Energy: 0.9462689214483008 Energy: 1.2127579149172774 Energy: 0.9462689214483008 Energy: 1.2127579149172774 Energy: 0.9462689214483008 Energy: 1.2127579149172774 Energy: 0.9906593089675312 Energy: 0.9589606774854357 Energy: 0.9906593089675312 Energy: 0.9589606774854357 Energy: 0.9906593089675312 Energy: 0.9589606774854357 Energy: 1.0321974041153408 Energy: 0.9971742930184454 Energy: 1.0321974041153408 Energy: 0.9971742930184454 Energy: 1.0321974041153408 Energy: 0.9971742930184454 minimum gb energy = 0.9232889111902283 eV minimum distance = 2.29285083836035 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.40936562850374514 Energy: 0.42342676511566063 Energy: 0.40936562850471947 Energy: 0.42342676511566063 Energy: 0.40936562850374514 Energy: 0.42342676511566063 Energy: 0.581548525019764 Energy: 0.4095476092013674 Energy: 0.581548525019764 Energy: 0.4095476092013674 Energy: 0.581548525019764 Energy: 0.4095476092013674 Energy: 0.48585610279791813 Energy: 0.5564523547694319 Energy: 0.48585610279791813 Energy: 0.5564523547694319 Energy: 0.48585610279791813 Energy: 0.5564523547694319 Energy: 0.42483423324151964 Energy: 0.40963268853571005 Energy: 0.42483423324151964 Energy: 0.4096326885366843 Energy: 0.42483423324151964 Energy: 0.40963268853571005 Energy: 0.5819284336082396 Energy: 0.5876639446443465 Energy: 0.5819284336082396 Energy: 0.5876639446443465 Energy: 0.5819284336082396 Energy: 0.5876639446443465 Energy: 0.4097707221360623 Energy: 0.48457310196139386 Energy: 0.4097707221360623 Energy: 0.48457310196139386 Energy: 0.4097707221360623 Energy: 0.48457310196139386 Energy: 0.4098987799239557 Energy: 0.4845663915552934 Energy: 0.4098987799239557 Energy: 0.4845663915552934 Energy: 0.4098987799239557 Energy: 0.4845663915552934 Energy: 0.5819109147681502 Energy: 0.5874312184468018 Energy: 0.5819109147681502 Energy: 0.5874312184468018 Energy: 0.5819109147681502 Energy: 0.5874312184468018 Energy: 0.4248371466236949 Energy: 0.40956784360352333 Energy: 0.4248371466236949 Energy: 0.40956784360352333 Energy: 0.4248371466236949 Energy: 0.40956784360352333 Energy: 0.4864484411228866 Energy: 0.5566369499439474 Energy: 0.4864484411228866 Energy: 0.5566369499439474 Energy: 0.4864484411228866 Energy: 0.5566369499439474 Energy: 0.5814952396480085 Energy: 0.40957228615201 Energy: 0.5814952396480085 Energy: 0.40957228615201 Energy: 0.5814952396480085 Energy: 0.40957228615201 Energy: 0.40936562850374514 Energy: 0.42342676511566063 Energy: 0.40936562850374514 Energy: 0.42342676511566063 Energy: 0.40936562850374514 Energy: 0.42342676511566063 Energy: 0.581548525019764 Energy: 0.4095476092013674 Energy: 0.581548525019764 Energy: 0.4095476092013674 Energy: 0.581548525019764 Energy: 0.4095476092013674 Energy: 0.48585610279791813 Energy: 0.5564523547694319 Energy: 0.48585610279791813 Energy: 0.5564523547694319 Energy: 0.48585610279791813 Energy: 0.5564523547694319 Energy: 0.42483423324151964 Energy: 0.4096326885366843 Energy: 0.42483423324151964 Energy: 0.40963268853571005 Energy: 0.42483423324151964 Energy: 0.40963268853571005 Energy: 0.5819284336082396 Energy: 0.5876639446443465 Energy: 0.5819284336082396 Energy: 0.5876639446443465 Energy: 0.5819284336082396 Energy: 0.5876639446443465 Energy: 0.4097707221360623 Energy: 0.48457310196139386 Energy: 0.4097707221360623 Energy: 0.48457310196139386 Energy: 0.4097707221360623 Energy: 0.48457310196236814 Energy: 0.4098987799239557 Energy: 0.4845663915552934 Energy: 0.4098987799239557 Energy: 0.4845663915552934 Energy: 0.4098987799239557 Energy: 0.4845663915552934 Energy: 0.5819109147681502 Energy: 0.5874312184468018 Energy: 0.5819109147681502 Energy: 0.5874312184468018 Energy: 0.5819109147681502 Energy: 0.5874312184468018 minimum gb energy = 0.40936562850374514 eV minimum distance = 2.37433491906656 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.9008961590885239 Energy: 1.018796036963873 Energy: 0.9008961590885239 Energy: 1.018796036963873 Energy: 0.9008961590885239 Energy: 1.018796036963873 Energy: 1.0530767717889833 Energy: 0.8697959649114582 Energy: 1.0530767717889833 Energy: 0.8697959649114582 Energy: 1.0530767717889833 Energy: 0.8697959649121718 Energy: 1.0319531125196626 Energy: 1.2022262794271956 Energy: 1.0319531125196626 Energy: 1.2022262794271956 Energy: 1.0319531125196626 Energy: 1.2022262794271956 Energy: 1.131458758484826 Energy: 0.7950031338242296 Energy: 1.13145875853832 Energy: 0.7950031338242296 Energy: 1.1314587585062041 Energy: 0.7950031338242296 Energy: 0.9716866882691142 Energy: 0.7617892097966794 Energy: 0.9716866882691142 Energy: 0.7617892097966794 Energy: 0.9716866882691142 Energy: 0.7617892097973932 Energy: 0.950965818404729 Energy: 0.7823163518924987 Energy: 0.950965818404729 Energy: 0.7823163518924987 Energy: 0.9509658184054429 Energy: 0.7823163518924987 Energy: 0.7540099340852634 Energy: 0.8509594019466477 Energy: 0.7540099340852634 Energy: 0.8509594019466477 Energy: 0.7540099340852634 Energy: 0.8509594019466477 Energy: 1.0151349141538624 Energy: 0.7251540825042385 Energy: 1.0151349141538624 Energy: 0.7251540825042385 Energy: 1.0151349141538624 Energy: 0.7251540825042385 Energy: 1.0126691840249278 Energy: 0.7302542480755877 Energy: 1.0126691840249278 Energy: 0.7302542480755877 Energy: 1.0126691840249278 Energy: 0.7302542480755877 Energy: 0.7479730499327972 Energy: 1.111837304727367 Energy: 0.7479730499327972 Energy: 1.111837304727367 Energy: 0.7479730499327972 Energy: 1.111837304727367 Energy: 0.9664464901465016 Energy: 0.9627318243068108 Energy: 0.9664464901465016 Energy: 0.9627318243075245 Energy: 0.9664464901465016 Energy: 0.9627318243075245 Energy: 0.9734364188333839 Energy: 0.7650966455171025 Energy: 0.9734364188333839 Energy: 0.7650966455178162 Energy: 0.9734364188333839 Energy: 0.7650966455171025 Energy: 1.0361668273106324 Energy: 0.8017508016941766 Energy: 1.0361668273106324 Energy: 0.8017508016934629 Energy: 1.0361668273106324 Energy: 0.8017508016934629 Energy: 1.1278074815313828 Energy: 1.3216938202679958 Energy: 1.1278074815313828 Energy: 1.3216938202679958 Energy: 1.1278074815313828 Energy: 1.3216938202679958 Energy: 1.053137106754551 Energy: 0.8862021314653519 Energy: 1.053137106754551 Energy: 0.8862021314653519 Energy: 1.053137106754551 Energy: 0.8862021314653519 Energy: 0.8481741315405399 Energy: 1.01618403572574 Energy: 0.8481741315405399 Energy: 1.01618403572574 Energy: 0.8481741315405399 Energy: 1.01618403572574 Energy: 0.9025998496679615 Energy: 0.8683226257937986 Energy: 0.9025998496679615 Energy: 0.8683226257937986 Energy: 0.9025998496679615 Energy: 0.8683226257937986 Energy: 1.2798252585585057 Energy: 1.1836561486006352 Energy: 1.2798252585585057 Energy: 1.1836561486006352 Energy: 1.2798252585585057 Energy: 1.1836561486006352 Energy: 1.1285863419792788 Energy: 0.7907199514579276 Energy: 1.1285863419785653 Energy: 0.7907199514579276 Energy: 1.1285863419785653 Energy: 0.7907199514579276 Energy: 0.9732683625813596 Energy: 0.9040962430986239 Energy: 0.9732683625813596 Energy: 0.9040962430986239 Energy: 0.9732683625813596 Energy: 0.9040962430986239 Energy: 0.7485972267058622 Energy: 0.9074080518051386 Energy: 0.7485972267058622 Energy: 0.9074080518051386 Energy: 0.7485972267058622 Energy: 0.9074080518051386 Energy: 0.9714668861511637 Energy: 1.0071168633433505 Energy: 0.9714668861475954 Energy: 1.0071168633440644 Energy: 0.9714668861490227 Energy: 1.0071168633433505 Energy: 1.0182436519298583 Energy: 0.9153227242207838 Energy: 1.0182436519305722 Energy: 0.9153227242207838 Energy: 1.0182436519305722 Energy: 0.9153227242207838 Energy: 1.0133495427724863 Energy: 0.8669543830933997 Energy: 1.0133495427724863 Energy: 0.8669543830933997 Energy: 1.0133495427724863 Energy: 0.8669543830933997 Energy: 0.748660836228211 Energy: 1.1115487658739334 Energy: 0.748660836228211 Energy: 1.1115487658732197 Energy: 0.748660836228211 Energy: 1.1115487658732197 Energy: 1.4566731055141702 Energy: 0.9633527527821242 Energy: 1.4566731055141702 Energy: 0.9633527527821242 Energy: 1.4566731055141702 Energy: 0.9633527527821242 minimum gb energy = 0.7251540825042385 eV minimum distance = 2.29358981818206 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 1.014542657192366 Energy: 0.8724199003045658 Energy: 1.014542657192366 Energy: 0.8724199003045658 Energy: 1.014542657192366 Energy: 0.8724199003045658 Energy: 1.1363495489325903 Energy: 1.0539199552062004 Energy: 1.1363495489325903 Energy: 1.0539199552062004 Energy: 1.1363495489325903 Energy: 1.0539199552062004 Energy: 0.9939480931480097 Energy: 1.3211097912291812 Energy: 0.9939480931480097 Energy: 1.3211097912291812 Energy: 0.9939480931485722 Energy: 1.3211097912291812 Energy: 0.9255994944402941 Energy: 0.8618646738685217 Energy: 0.9255994944402941 Energy: 0.8618646738685217 Energy: 0.9255994944397316 Energy: 0.8618646738685217 Energy: 0.8275346110294827 Energy: 0.9152817356679716 Energy: 0.8275346110294827 Energy: 0.9152817356679716 Energy: 0.8275346110294827 Energy: 0.9152817356679716 Energy: 1.1051196614907586 Energy: 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0.8454364364080879 Energy: 0.812736172389471 Energy: 1.041160986322842 Energy: 0.812736172389471 Energy: 1.041160986322842 Energy: 0.812736172389471 Energy: 1.041160986322842 Energy: 0.8526259528567373 Energy: 0.8900849119395388 Energy: 0.8526259528567373 Energy: 0.8900849119395388 Energy: 0.8526259528567373 Energy: 0.8900849119395388 Energy: 0.7965351429853439 Energy: 1.0708217406407878 Energy: 0.7965351429853439 Energy: 1.0708217406407878 Energy: 0.7965351429853439 Energy: 1.0708217406407878 minimum gb energy = 0.7878141816758744 eV minimum distance = 2.29857239574393 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 1.0000453655239931 Energy: 0.8881194319291911 Energy: 1.0000453655239931 Energy: 0.8881194319291911 Energy: 1.0000453655239931 Energy: 0.8881194319331387 Energy: 1.0110458811399856 Energy: 0.8452261689004837 Energy: 1.0110458811399856 Energy: 0.8452261689004837 Energy: 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0.9665954332717032 Energy: 0.9531706708640778 Energy: 0.835026966887007 Energy: 0.9531706708680254 Energy: 0.835026966887007 Energy: 0.9531706708680254 Energy: 0.835026966887007 Energy: 0.8396956144847969 Energy: 1.0139215828078159 Energy: 0.8396956144847969 Energy: 1.0139215828078159 Energy: 0.8396956144847969 Energy: 1.0139215828078159 minimum gb energy = 0.835026966887007 eV minimum distance = 2.31219284721893 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 1.0566739612321974 Energy: 0.965175697465306 Energy: 1.0566739612321974 Energy: 0.965175697465306 Energy: 1.0566739612321974 Energy: 0.965175697465306 Energy: 1.006950803228325 Energy: 0.8786569755248379 Energy: 1.006950803228325 Energy: 0.8786569755248379 Energy: 1.006950803228325 Energy: 0.8786569755248379 Energy: 1.206735662539914 Energy: 1.1449770223090268 Energy: 1.206735662539914 Energy: 1.1449770223090268 Energy: 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Energy: 1.045391429312488 Energy: 1.1593513535658977 Energy: 1.045391429312488 Energy: 1.2551814535548182 Energy: 1.2823805013502365 Energy: 1.2551814535548182 Energy: 1.2823805013502365 Energy: 1.2551814535548182 Energy: 1.2823805013502365 Energy: 1.0555292389775945 Energy: 1.0861786891204046 Energy: 1.0555292389775945 Energy: 1.08617868912101 Energy: 1.0555292389782 Energy: 1.0861786891204046 Energy: 1.1661976989050988 Energy: 1.1345571261279055 Energy: 1.1661976989050988 Energy: 1.1345571261279055 Energy: 1.1661976989044935 Energy: 1.1345571261279055 Energy: 1.0821393530805 Energy: 1.1319818234487165 Energy: 1.0821393530805 Energy: 1.1319818234487165 Energy: 1.0821393530811054 Energy: 1.1319818234487165 Energy: 1.1571894451347904 Energy: 1.2282392236370434 Energy: 1.1571894451347904 Energy: 1.2282392236364381 Energy: 1.1571894451347904 Energy: 1.2282392236364381 Energy: 1.0936354733343359 Energy: 1.1819165125306677 Energy: 1.0936354733343359 Energy: 1.1819165125306677 Energy: 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Energy: 1.1731335852441729 Energy: 1.115412735499566 Energy: 1.1731335852441729 Energy: 1.115412735499566 Energy: 1.1731335852441729 Energy: 1.2162402031274164 Energy: 1.177284430182474 Energy: 1.2162402031274164 Energy: 1.1772844301818688 Energy: 1.2162402031274164 Energy: 1.177284430182474 Energy: 1.0147159677372546 Energy: 1.1784620227260179 Energy: 1.0147159677372546 Energy: 1.1784620227260179 Energy: 1.0147159677378597 Energy: 1.1784620227260179 Energy: 1.2046821714142901 Energy: 1.131667500164043 Energy: 1.2046821714148954 Energy: 1.1316675001646483 Energy: 1.2046821714148954 Energy: 1.131667500164043 Energy: 1.0938357773410672 Energy: 1.080342899851756 Energy: 1.0938357773410672 Energy: 1.080342899851756 Energy: 1.0938357773410672 Energy: 1.080342899851756 Energy: 1.2166754763562229 Energy: 1.1194136499193277 Energy: 1.2166754763562229 Energy: 1.119413649919933 Energy: 1.2166754763562229 Energy: 1.1194136499193277 Energy: 1.100307034012908 Energy: 1.2513701437994942 Energy: 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1.107223218232755 Energy: 1.2038284369172487 Energy: 1.107223218232755 Energy: 1.3010405424992926 Energy: 1.107223218232755 Energy: 1.2247977548886557 Energy: 1.0540344354912319 Energy: 1.2247977548886557 Energy: 1.0540344354912319 Energy: 1.2247977548886557 Energy: 1.0540344354920155 Energy: 1.1659085370398865 Energy: 1.2511736597406728 Energy: 1.1662797250308843 Energy: 1.2511736597406728 Energy: 1.165908537022645 Energy: 1.2511736597406728 Energy: 1.0984243279320742 Energy: 1.1803903085947478 Energy: 1.0984243279320742 Energy: 1.180390308582992 Energy: 1.0984243279320742 Energy: 1.1803903085516436 Energy: 1.1361583905179289 Energy: 1.129421140802016 Energy: 1.1361583905179289 Energy: 1.129421140802016 Energy: 1.1361583905179289 Energy: 1.129421140802016 Energy: 1.162136768980985 Energy: 1.0393689968344082 Energy: 1.162136768980985 Energy: 1.0393689968344082 Energy: 1.162136768980985 Energy: 1.0393689968344082 Energy: 1.2243073082687141 Energy: 1.2869406391614655 Energy: 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1.0544722111537563 Energy: 1.195884700772213 Energy: 1.0544722111537563 Energy: 1.2245839400162573 Energy: 1.0595335357745796 Energy: 1.0999731620926774 Energy: 1.0595335357745796 Energy: 1.2245839400162573 Energy: 1.0595335357745796 Energy: 1.210939688857493 Energy: 1.055044515841305 Energy: 1.1001063659072947 Energy: 1.055044515841305 Energy: 1.210939688857493 Energy: 1.055044515841305 Energy: 1.1937725994435808 Energy: 1.1667624392098543 Energy: 1.1937725994435808 Energy: 1.1667624392098543 Energy: 1.1937725994435808 Energy: 1.1667624392098543 Energy: 1.026786308380312 Energy: 1.10714087945681 Energy: 1.0272512106839617 Energy: 1.10714087945681 Energy: 1.026786308380312 Energy: 1.10714087945681 Energy: 1.1384204559974183 Energy: 0.9596785322818218 Energy: 1.1384204559974183 Energy: 0.9596785322818218 Energy: 1.1384204559974183 Energy: 1.0365033078601174 Energy: 1.0300581866923606 Energy: 1.1081040051289968 Energy: 1.0300581866923606 Energy: 1.1081040051289968 Energy: 1.0300581866923606 Energy: 1.1081040051289968 Energy: 1.0756628683434342 Energy: 1.1669096449076126 Energy: 1.0756628683434342 Energy: 1.1669096449076126 Energy: 1.0756628683434342 Energy: 1.1669096449076126 Energy: 1.1002248090993632 Energy: 1.0553900433538435 Energy: 1.1002248090993632 Energy: 1.0553900433538435 Energy: 1.1002248090993632 Energy: 1.0553900433538435 Energy: 1.218306093091564 Energy: 1.1426269679723127 Energy: 1.218306093091564 Energy: 1.1426269679723127 Energy: 1.218306093091564 Energy: 1.1426269679723127 Energy: 1.2492718101098632 Energy: 1.053486784870631 Energy: 1.2504669512764266 Energy: 1.053486784870631 Energy: 1.2492718101098632 Energy: 1.053486784870631 Energy: 1.138168914925365 Energy: 1.2809428255028035 Energy: 1.1382620182638574 Energy: 1.2809428255028035 Energy: 1.1381689149261487 Energy: 1.2809428255028035 minimum gb energy = 0.9596785322818218 eV minimum distance = 2.27930086084788 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 1.166596496424245 Energy: 1.0333384017888116 Energy: 1.166596496424245 Energy: 1.0333384017888116 Energy: 1.166596496424245 Energy: 1.0333384017888116 Energy: 0.9892743640802528 Energy: 0.9795097510140093 Energy: 0.9892743640802528 Energy: 0.9795097510140093 Energy: 0.9892743640802528 Energy: 0.9795097510140093 Energy: 1.0855955520632088 Energy: 1.171581695281305 Energy: 1.0855955520621003 Energy: 1.171581695281305 Energy: 1.0855955520621003 Energy: 1.171581695281305 Energy: 0.9151870136747737 Energy: 1.1481021670473017 Energy: 0.9151870136747737 Energy: 1.1481021670473017 Energy: 0.9151870136747737 Energy: 1.1481021670473017 Energy: 1.1411438103556155 Energy: 1.0938181833707172 Energy: 1.1411438103556155 Energy: 1.0938181833707172 Energy: 1.1411438103556155 Energy: 1.0938181833707172 Energy: 1.0364094256239826 Energy: 1.1415165393084774 Energy: 1.0364094256239826 Energy: 1.141516539307369 Energy: 1.0364094256239826 Energy: 1.1415165393084774 Energy: 0.9150713734470938 Energy: 0.9836797060583181 Energy: 0.9150713734470938 Energy: 0.9836797060583181 Energy: 0.9150713734470938 Energy: 0.9836797060583181 Energy: 0.9151820855808235 Energy: 1.14585774354853 Energy: 0.9151820855808235 Energy: 1.14585774354853 Energy: 0.9151820855808235 Energy: 1.1458577435474215 Energy: 1.094149048101007 Energy: 0.9792350162538632 Energy: 1.094149048101007 Energy: 0.9792350162538632 Energy: 1.094149048101007 Energy: 0.9792350162538632 Energy: 1.0620994267507307 Energy: 0.9912130655574888 Energy: 1.0620994267507307 Energy: 0.9912130655574888 Energy: 1.0620994267507307 Energy: 0.9912130655574888 Energy: 1.042952261096676 Energy: 1.1174247414602723 Energy: 1.042952261096676 Energy: 1.1174247414602723 Energy: 1.042952261096676 Energy: 1.1174247414602723 Energy: 1.105949822641489 Energy: 0.9786800013044462 Energy: 1.105949822641489 Energy: 0.9786800013044462 Energy: 1.105949822641489 Energy: 0.9786800013044462 Energy: 0.9146663817497237 Energy: 1.1402893869257753 Energy: 0.9146663817497237 Energy: 1.1402893869257753 Energy: 0.9146663817497237 Energy: 1.1402893869257753 Energy: 1.0577493244770784 Energy: 1.1104630870727803 Energy: 1.0577493244770784 Energy: 1.1104630870727803 Energy: 1.0577493244770784 Energy: 1.1104630870727803 Energy: 1.0369238524858277 Energy: 1.2415307148815367 Energy: 1.0369238524858277 Energy: 1.2415307148815367 Energy: 1.0369238524858277 Energy: 1.2415307148815367 Energy: 1.0370399468191869 Energy: 0.980645757071278 Energy: 1.0370399468191869 Energy: 0.980645757071278 Energy: 1.0370399468191869 Energy: 0.980645757071278 Energy: 1.0562746187053367 Energy: 1.1163031718772003 Energy: 1.0562746187053367 Energy: 1.1163031718772003 Energy: 1.0562746187053367 Energy: 1.1163031718772003 minimum gb energy = 0.9146663817497237 eV minimum distance = 2.29173557775693 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 1.0620327637342897 Energy: 0.9445085890881143 Energy: 1.0620327637342897 Energy: 0.9445085890881143 Energy: 1.0620327637300098 Energy: 0.9445085890881143 Energy: 0.9561047531210455 Energy: 0.9141960653580177 Energy: 0.9561047531210455 Energy: 0.9141960653580177 Energy: 0.9561047531253255 Energy: 0.9141960653580177 Energy: 1.0571726659692102 Energy: 0.9785154185029904 Energy: 1.0571726659692102 Energy: 0.9785154185029904 Energy: 1.0571726659692102 Energy: 0.9785154185029904 Energy: 0.8716521523786099 Energy: 1.0149399923175 Energy: 0.8716521523786099 Energy: 1.0149399923175 Energy: 0.8716521523786099 Energy: 1.0149399923175 Energy: 1.0813741290287735 Energy: 0.9037805728161291 Energy: 1.0813741290287735 Energy: 0.9037805728161291 Energy: 1.0813741290287735 Energy: 0.9037805728161291 Energy: 1.0030596455362673 Energy: 0.958611249833881 Energy: 1.0030596455362673 Energy: 0.958611249833881 Energy: 1.0030596455362673 Energy: 0.958611249833881 Energy: 0.9595812512181165 Energy: 0.9457942095492703 Energy: 0.9595812512181165 Energy: 0.9457942095492703 Energy: 0.9595812512181165 Energy: 0.9457942095492703 Energy: 0.9695168620845621 Energy: 1.1827319351695078 Energy: 0.9695168620802822 Energy: 1.1827319351695078 Energy: 0.9695168620845621 Energy: 1.1827319351695078 Energy: 0.9804160278266109 Energy: 1.0130978101234431 Energy: 0.9804160278266109 Energy: 1.0130978101234431 Energy: 0.9804160278266109 Energy: 1.0130978101234431 Energy: 0.9611052056519925 Energy: 0.8519034168348766 Energy: 0.9611052056519925 Energy: 0.8519034168348766 Energy: 0.9611052056519925 Energy: 0.8519034168348766 Energy: 0.8723368122844742 Energy: 1.0248047816678836 Energy: 0.8723368122844742 Energy: 1.0248047816678836 Energy: 0.8723368122844742 Energy: 1.0248047816678836 Energy: 1.0494562494469626 Energy: 0.9308152875767053 Energy: 1.0494562494469626 Energy: 0.9308152875767053 Energy: 1.0494562494469626 Energy: 0.9308152875767053 Energy: 0.9767593929833701 Energy: 0.9332291527125334 Energy: 0.9767593929833701 Energy: 0.9332291527125334 Energy: 0.9767593929833701 Energy: 0.9332291527125334 Energy: 0.9606292052205267 Energy: 1.0451011299868547 Energy: 0.9606292052205267 Energy: 1.0451011299868547 Energy: 0.9606292052205267 Energy: 1.0451011299868547 Energy: 1.0183911033127542 Energy: 1.041954198626512 Energy: 1.0183911033127542 Energy: 1.041954198626512 Energy: 1.0183911033127542 Energy: 1.041954198626512 Energy: 0.8715214532357636 Energy: 1.0046687206958886 Energy: 0.8715214532357636 Energy: 1.0046687206958886 Energy: 0.8715214532357636 Energy: 1.0046687206958886 Energy: 0.9738209139260374 Energy: 0.9833186050917759 Energy: 0.9738209139260374 Energy: 0.9833186050917759 Energy: 0.9738209139260374 Energy: 0.9833186050917759 Energy: 1.0073087112946222 Energy: 1.1788812294655469 Energy: 1.0073087112946222 Energy: 1.1788812294655469 Energy: 1.0073087112946222 Energy: 1.1788812294655469 Energy: 0.9693295336754485 Energy: 1.1152953004482666 Energy: 0.9693295336754485 Energy: 1.1152953004482666 Energy: 0.9693295336754485 Energy: 1.1152953004482666 Energy: 0.9726838366924008 Energy: 0.9503706497442349 Energy: 0.9726838366924008 Energy: 0.9503706497442349 Energy: 0.9726838366924008 Energy: 0.9503706497442349 Energy: 0.9694730611598762 Energy: 1.1145215930301338 Energy: 0.9694730611598762 Energy: 1.1145215930301338 Energy: 0.9694730611598762 Energy: 1.1145215930301338 Energy: 1.007125752798579 Energy: 1.1788108222044826 Energy: 1.007125752798579 Energy: 1.1788108222044826 Energy: 1.007125752798579 Energy: 1.1788108222044826 Energy: 0.9737987332681084 Energy: 0.9832141991139232 Energy: 0.9737987332681084 Energy: 0.9832141991139232 Energy: 0.9737987332681084 Energy: 0.9832141991139232 Energy: 0.8714948876228601 Energy: 1.206947399173869 Energy: 0.8714948876228601 Energy: 1.206947399178149 Energy: 0.8714948876228601 Energy: 1.206947399173869 Energy: 1.0183846931847746 Energy: 1.041861172576535 Energy: 1.0183846931847746 Energy: 1.041861172576535 Energy: 1.0183846931847746 Energy: 1.041861172572255 Energy: 0.958793788709802 Energy: 1.0449613621072074 Energy: 0.958793788709802 Energy: 1.0449613621072074 Energy: 0.958793788709802 Energy: 1.0449613621072074 Energy: 0.9737168712377319 Energy: 0.932717631768391 Energy: 0.9737168712377319 Energy: 0.932717631768391 Energy: 0.9737168712377319 Energy: 0.932717631768391 Energy: 1.0492004193676883 Energy: 0.9305052804120753 Energy: 1.0492004193676883 Energy: 0.9305052804120753 Energy: 1.0492004193676883 Energy: 0.9305052804120753 Energy: 0.872452450509446 Energy: 1.0247014447113854 Energy: 0.8724524505051658 Energy: 1.0247014447071052 Energy: 0.8724524505051658 Energy: 1.0247014447113854 Energy: 0.9610646523222052 Energy: 0.9909939279998674 Energy: 0.9610646523222052 Energy: 0.9909939279998674 Energy: 0.9610646523222052 Energy: 0.9909939279998674 Energy: 0.9804976150646761 Energy: 1.0119867539577354 Energy: 0.9804976150646761 Energy: 1.0119867539534553 Energy: 0.9804976150646761 Energy: 1.0119867539577354 Energy: 0.9696961843140345 Energy: 1.1822982497474697 Energy: 0.9696961843140345 Energy: 1.1822982497474697 Energy: 0.9696961843140345 Energy: 1.1822982497474697 Energy: 0.9630126006495269 Energy: 0.9533155185694823 Energy: 0.9630126006495269 Energy: 0.9533155185694823 Energy: 0.9630126006495269 Energy: 0.9533155185694823 Energy: 1.0031282319816397 Energy: 0.9293811925701646 Energy: 1.0031282319816397 Energy: 0.9293811925701646 Energy: 1.0031282319816397 Energy: 0.9293811925701646 Energy: 1.0818057201904316 Energy: 0.9043625219841054 Energy: 1.0818057201904316 Energy: 0.9043625219841054 Energy: 1.0818057201904316 Energy: 0.9043625219841054 Energy: 0.8717074256257952 Energy: 0.9847153236634959 Energy: 0.8717074256257952 Energy: 0.9847153236634959 Energy: 0.8717074256257952 Energy: 0.9847153236634959 Energy: 0.9674240084911029 Energy: 0.9783997954654042 Energy: 0.9674240084911029 Energy: 0.9783997954654042 Energy: 0.9674240084911029 Energy: 0.9783997954654042 Energy: 0.9623078144354924 Energy: 0.915135823861336 Energy: 0.9623078144354924 Energy: 0.915135823861336 Energy: 0.9623078144354924 Energy: 0.915135823861336 Energy: 1.0620327637342897 Energy: 0.9445085890881143 Energy: 1.0620327637342897 Energy: 0.9445085890881143 Energy: 1.0620327637342897 Energy: 0.9445085890881143 Energy: 0.9561047531253255 Energy: 0.9055737934678676 Energy: 0.9561047531210455 Energy: 0.9055737934678676 Energy: 0.9561047531253255 Energy: 0.9055737934678676 Energy: 1.0571726659692102 Energy: 0.9785154185029904 Energy: 1.0571726659692102 Energy: 0.9785154185029904 Energy: 1.0571726659692102 Energy: 0.9785154185029904 Energy: 0.8716521523786099 Energy: 1.0149399923175 Energy: 0.8716521523786099 Energy: 1.0149399923175 Energy: 0.8716521523786099 Energy: 1.0149399923175 Energy: 1.0813741290287735 Energy: 0.9037805728161291 Energy: 1.0813741290287735 Energy: 0.9037805728161291 Energy: 1.0813741290287735 Energy: 0.9037805728161291 minimum gb energy = 0.8519034168348766 eV minimum distance = 2.29183944289464 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.8956439171102927 Energy: 0.8765924184745907 Energy: 0.8956439171102927 Energy: 0.8765924184745907 Energy: 0.8956439171102927 Energy: 0.8765924184752875 Energy: 0.9972583716544184 Energy: 0.8592773022940868 Energy: 0.9972583716544184 Energy: 0.8592773022940868 Energy: 0.9972583716544184 Energy: 0.8592773022940868 Energy: 0.9846497947599834 Energy: 0.913784128996727 Energy: 0.9846497947599834 Energy: 0.9137841289974239 Energy: 0.9846497947599834 Energy: 0.9137841289974239 Energy: 0.8301484299548886 Energy: 0.9505136278522843 Energy: 0.8301484299548886 Energy: 0.9505136278522843 Energy: 0.8301484299555857 Energy: 0.9505136278515872 Energy: 0.9912875255931815 Energy: 0.7998403887588311 Energy: 0.9912875255924843 Energy: 0.7998403887588311 Energy: 0.9912875255924843 Energy: 0.7998403887588311 Energy: 0.9464848330651188 Energy: 0.859609183952984 Energy: 0.9464848330651188 Energy: 0.859609183952984 Energy: 0.9464848330651188 Energy: 0.859609183952984 Energy: 0.8223965563716972 Energy: 0.9193826277389875 Energy: 0.8223965563716972 Energy: 0.9193826277389875 Energy: 0.8223965563710003 Energy: 0.9193826277389875 Energy: 1.0978595389130144 Energy: 1.0906561745653531 Energy: 1.0978595389130144 Energy: 1.0906561745653531 Energy: 1.0978595389130144 Energy: 1.0906561745653531 Energy: 0.8684220385850375 Energy: 0.8626526530536154 Energy: 0.8684220385850375 Energy: 0.8626526530536154 Energy: 0.8684220385850375 Energy: 0.8626526530536154 Energy: 0.8822256033851394 Energy: 0.8851938909883594 Energy: 0.8822256033844426 Energy: 0.8851938909876627 Energy: 0.8822256033844426 Energy: 0.8851938909876627 Energy: 0.8126038004114353 Energy: 1.0915478061755337 Energy: 0.8126038004121323 Energy: 1.0915478061755337 Energy: 0.8126038004121323 Energy: 1.0915478061755337 Energy: 0.9029059754807728 Energy: 0.8237864310375205 Energy: 0.9029059754807728 Energy: 0.8237864310375205 Energy: 0.9029059754807728 Energy: 0.8237864310375205 Energy: 0.8815142304114061 Energy: 0.9255131184368995 Energy: 0.8815142304114061 Energy: 0.9255131184368995 Energy: 0.8815142304114061 Energy: 0.9255131184368995 Energy: 0.8260478802438306 Energy: 1.0348457834495222 Energy: 0.8260478802431337 Energy: 1.0348457834495222 Energy: 0.8260478802438306 Energy: 1.0348457834495222 Energy: 0.9732120184467455 Energy: 0.8733321869296109 Energy: 0.9732120184467455 Energy: 0.8733321869400642 Energy: 0.9732120184467455 Energy: 0.8733321869504859 Energy: 0.8806955869585944 Energy: 0.9831025656314305 Energy: 0.8806955869585944 Energy: 0.9831025656314305 Energy: 0.8806955869585944 Energy: 0.9831025656314305 Energy: 0.9053875737121794 Energy: 0.9961670793608205 Energy: 0.9053875737121794 Energy: 0.9961670793608205 Energy: 0.9053875737121794 Energy: 0.9961670793608205 Energy: 0.925335632655605 Energy: 0.9670266246204159 Energy: 0.9253356326549083 Energy: 0.9670266246211127 Energy: 0.925335632655605 Energy: 0.9670266246204159 Energy: 0.8277475580451344 Energy: 1.0541901663495736 Energy: 0.8277475580451344 Energy: 1.0541901663488766 Energy: 0.8277475580451344 Energy: 1.0541901663488766 Energy: 0.8317029831145761 Energy: 0.9451036659708704 Energy: 0.8317029831145761 Energy: 0.9451036659701735 Energy: 0.8317029831145761 Energy: 0.9451036659708704 Energy: 0.9275771554162265 Energy: 1.1128104555260714 Energy: 0.9275771554155298 Energy: 1.1128104555260714 Energy: 0.9275771554162265 Energy: 1.1128104555260714 Energy: 0.8132400282760873 Energy: 1.0598876004306566 Energy: 0.8132400282760873 Energy: 1.0598876004306566 Energy: 0.8132400282760873 Energy: 1.0598876004306566 Energy: 0.9028780624151562 Energy: 0.9067690487690918 Energy: 0.9028780624144591 Energy: 0.9067690487690918 Energy: 0.9028780624144591 Energy: 0.9067690487690918 Energy: 0.8958460076616507 Energy: 1.2714801958288666 Energy: 0.8958460076616507 Energy: 1.2714801958288666 Energy: 0.8958460076616507 Energy: 1.2714801958288666 Energy: 0.9013277797552586 Energy: 1.1183366133305777 Energy: 0.9013277797552586 Energy: 1.1183366133305777 Energy: 0.9013277797552586 Energy: 1.1183366133305777 Energy: 0.8779405339536512 Energy: 0.9048190375917301 Energy: 0.8779405339536512 Energy: 0.9048190375917301 Energy: 0.8779405339536512 Energy: 0.9048190375917301 Energy: 0.8278209438624099 Energy: 1.0542516244431206 Energy: 0.8278209438624099 Energy: 1.0542516244431206 Energy: 0.8278209438624099 Energy: 1.0542516244438174 minimum gb energy = 0.7998403887588311 eV minimum distance = 2.24702707717638 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.8448704716404564 Energy: 0.8028790321751148 Energy: 0.8448704716394407 Energy: 0.8028790321751148 Energy: 0.8448704716394407 Energy: 0.8028790321751148 Energy: 0.8803458067262049 Energy: 0.8094017639121257 Energy: 0.8803458067272203 Energy: 0.8094017639116181 Energy: 0.8803458067272203 Energy: 0.8094017639121257 Energy: 0.8688391410899278 Energy: 0.8873632334966077 Energy: 0.8688391410899278 Energy: 0.8873632334966077 Energy: 0.8688391410899278 Energy: 0.8873632334966077 Energy: 0.8084647032018486 Energy: 0.8318886484707569 Energy: 0.8084647032018486 Energy: 0.8318886484707569 Energy: 0.8084647032018486 Energy: 0.8318886484707569 Energy: 0.8715014664335603 Energy: 0.7700966591404527 Energy: 0.871501466434068 Energy: 0.7700966591409604 Energy: 0.871501466434068 Energy: 0.7700966591409604 Energy: 0.818382839560343 Energy: 0.7824504530245834 Energy: 0.818382839560343 Energy: 0.7824504530245834 Energy: 0.818382839560343 Energy: 0.7824504530245834 Energy: 0.7937721783744918 Energy: 0.8155337369335385 Energy: 0.7937721783749995 Energy: 0.8155337369335385 Energy: 0.7937721783739841 Energy: 0.8155337369335385 Energy: 0.8071500819833645 Energy: 0.7633911827160977 Energy: 0.8071500819833645 Energy: 0.7633911827166054 Energy: 0.8071500819828568 Energy: 0.7633911827160977 Energy: 0.7820267445267183 Energy: 0.7739318181584884 Energy: 0.7820267445272262 Energy: 0.7739318181584884 Energy: 0.7820267445267183 Energy: 0.7739318181584884 Energy: 0.8828823682025513 Energy: 0.773078837138031 Energy: 0.8828823682025513 Energy: 0.7730788371354923 Energy: 0.8828823682025513 Energy: 0.773078837138031 Energy: 0.9527077452838472 Energy: 0.8567267047216268 Energy: 0.9527077452838472 Energy: 0.8567267047216268 Energy: 0.9527077452838472 Energy: 0.8567267047216268 Energy: 0.7483160013204603 Energy: 0.8580587265103338 Energy: 0.7483160013209681 Energy: 0.8580587265103338 Energy: 0.7483160013204603 Energy: 0.8580587265103338 Energy: 0.881779394753192 Energy: 0.73744077538795 Energy: 0.8817793947526843 Energy: 0.73744077538795 Energy: 0.8817793947526843 Energy: 0.73744077538795 Energy: 0.9526885894419936 Energy: 0.843926165632202 Energy: 0.9526885894419936 Energy: 0.8439261656316941 Energy: 0.9526885894419936 Energy: 0.8439261656316941 Energy: 0.7698246685915756 Energy: 0.8581832337624757 Energy: 0.7698246685915756 Energy: 0.8581832337624757 Energy: 0.7698246685915756 Energy: 0.8581832337624757 Energy: 0.9020752637203175 Energy: 0.8386498123802171 Energy: 0.9020752637203175 Energy: 0.8386498123802171 Energy: 0.9020752637203175 Energy: 0.8386498123797095 Energy: 0.7959625906132507 Energy: 0.8343507511778191 Energy: 0.7959625906122352 Energy: 0.8343507511778191 Energy: 0.7959625906162971 Energy: 0.8343507511778191 Energy: 0.7922519742248635 Energy: 0.7611446755457743 Energy: 0.7922519742248635 Energy: 0.7611446755452665 Energy: 0.7922519742248635 Energy: 0.7611446755457743 Energy: 0.7860227201937123 Energy: 0.8554352907913024 Energy: 0.7860227201937123 Energy: 0.8554352907913024 Energy: 0.7860227201937123 Energy: 0.8554352907913024 Energy: 0.8174567035086637 Energy: 0.7621820540128545 Energy: 0.817456703508156 Energy: 0.7621820540128545 Energy: 0.8174567035086637 Energy: 0.7621820540133624 Energy: 0.8556302479490704 Energy: 0.7856595178837779 Energy: 0.8556302479490704 Energy: 0.7856595178842856 Energy: 0.8556302479490704 Energy: 0.7856595178837779 Energy: 0.8077327296094606 Energy: 0.8723359575805107 Energy: 0.8077327296094606 Energy: 0.8723359575800032 Energy: 0.8077327296099683 Energy: 0.8723359575794954 Energy: 0.824463249736981 Energy: 0.8682526952934293 Energy: 0.824463249736981 Energy: 0.8682526952934293 Energy: 0.824463249736981 Energy: 0.8682526952934293 Energy: 0.9104641817596745 Energy: 0.7851726266324709 Energy: 0.9104641817596745 Energy: 0.7851726266324709 Energy: 0.9104641817596745 Energy: 0.7851726266324709 Energy: 0.7394103005245524 Energy: 0.7631738885247797 Energy: 0.7394103005240446 Energy: 0.7631738885247797 Energy: 0.7394103005240446 Energy: 0.7631738885247797 Energy: 0.7664005936971077 Energy: 0.8314043055398777 Energy: 0.7664005936971077 Energy: 0.8314043055398777 Energy: 0.7664005936971077 Energy: 0.8314043055398777 Energy: 0.831095711384066 Energy: 0.7627111160504947 Energy: 0.831095711384066 Energy: 0.762711116049987 Energy: 0.831095711384066 Energy: 0.762711116049987 Energy: 0.7037622927910255 Energy: 0.8494543954434731 Energy: 0.7037622927910255 Energy: 0.8494543954434731 Energy: 0.7037622927910255 Energy: 0.8494543954434731 Energy: 0.7628988606936158 Energy: 0.7840748050234299 Energy: 0.7628988606936158 Energy: 0.7840748050234299 Energy: 0.7628988606936158 Energy: 0.7840748050234299 Energy: 0.7668422526359447 Energy: 0.7654204777114513 Energy: 0.7668422526359447 Energy: 0.7654204777114513 Energy: 0.7668422526359447 Energy: 0.7654204777114513 Energy: 0.7285679376718485 Energy: 0.7774107002824164 Energy: 0.7285679376718485 Energy: 0.7774107002824164 Energy: 0.7285679376718485 Energy: 0.7774107002824164 Energy: 0.7636483167445509 Energy: 0.7595630264362311 Energy: 0.7636483167445509 Energy: 0.7595630264362311 Energy: 0.7636483167445509 Energy: 0.7595630264362311 Energy: 0.7439979105271228 Energy: 0.763144561001336 Energy: 0.743997910526615 Energy: 0.763144561001336 Energy: 0.743997910526615 Energy: 0.7631445610008283 Energy: 0.8902692458140318 Energy: 0.8596802395268169 Energy: 0.8902692458140318 Energy: 0.8596802395268169 Energy: 0.8902692458140318 Energy: 0.8596802395273246 Energy: 0.7655864238824307 Energy: 0.7377399389819459 Energy: 0.7655864238824307 Energy: 0.7377399389824537 Energy: 0.7655864238824307 Energy: 0.7377399389819459 Energy: 0.6837557209310544 Energy: 0.8499795158062604 Energy: 0.6837557209305467 Energy: 0.8499795158062604 Energy: 0.6837557209305467 Energy: 0.8499795158062604 minimum gb energy = 0.6837557209305467 eV minimum distance = 2.24422191807442 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.6411465272683351 Energy: 0.04138775129389098 Energy: 0.6411465272683351 Energy: 0.041387751292025356 Energy: 0.6411465272683351 Energy: 0.04138775129389098 Energy: 0.641131710042108 Energy: 0.03979448293856746 Energy: 0.641131710042108 Energy: 0.03979448293670184 Energy: 0.641131710042108 Energy: 0.03979448293856746 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.6411465272683351 Energy: 0.04138775126963794 Energy: 0.6411465272683351 Energy: 0.04138775126963794 Energy: 0.6411465272683351 Energy: 0.04138775126963794 Energy: 0.641131710042108 Energy: 0.03979448292550813 Energy: 0.641131710042108 Energy: 0.03979448292550813 Energy: 0.641131710042108 Energy: 0.03979448292550813 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.6411465272683351 Energy: 0.04138775124708092 Energy: 0.6411465272683351 Energy: 0.04138775124708092 Energy: 0.6411465272683351 Energy: 0.04138775124708092 Energy: 0.641131710042108 Energy: 0.03979448291060438 Energy: 0.641131710042108 Energy: 0.03979448291060438 Energy: 0.641131710042108 Energy: 0.03979448291060438 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 Energy: 0.03863067597836209 Energy: 0.09539098794417755 minimum gb energy = 0.03863067597836209 eV minimum distance = 2.46614716405673 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.7557633649385757 Energy: 0.7281036132750649 Energy: 0.7557633649385757 Energy: 0.7281036132750649 Energy: 0.7557633649385757 Energy: 0.7281036132750649 Energy: 0.7341150653767977 Energy: 0.7382563286923703 Energy: 0.7341150653767977 Energy: 0.7382563286923703 Energy: 0.7341150653767977 Energy: 0.7382563286918121 Energy: 0.7502450433161849 Energy: 0.7394391803369701 Energy: 0.7502450433161849 Energy: 0.7394391803369701 Energy: 0.7502450433161849 Energy: 0.7394391803369701 Energy: 0.831862795410969 Energy: 0.6991252000049613 Energy: 0.831862795410969 Energy: 0.6991252000049613 Energy: 0.831862795410969 Energy: 0.6991252000049613 Energy: 0.6159148054432085 Energy: 0.7427636888603822 Energy: 0.6159148054432085 Energy: 0.7427636888609406 Energy: 0.6159148054432085 Energy: 0.7427636888609406 Energy: 0.7525008991337653 Energy: 0.7690599853359888 Energy: 0.7525008991337653 Energy: 0.7690599853365471 Energy: 0.7525008991337653 Energy: 0.7690599853365471 Energy: 0.7661537375688469 Energy: 0.7733471656065808 Energy: 0.7661537375688469 Energy: 0.7733471656065808 Energy: 0.7661537375688469 Energy: 0.7733471656065808 Energy: 0.6117161552092067 Energy: 0.7431302766073768 Energy: 0.6117161552092067 Energy: 0.7431302766073768 Energy: 0.6117161552092067 Energy: 0.7431302766073768 Energy: 0.7691363420066434 Energy: 0.7764339860131054 Energy: 0.7691363420066434 Energy: 0.7764339860125724 Energy: 0.7691363420066434 Energy: 0.7764339860131054 Energy: 0.7827271837689256 Energy: 0.6695685032482163 Energy: 0.7827271837689256 Energy: 0.669568503247658 Energy: 0.7827271837689256 Energy: 0.6695685032482163 Energy: 0.6593935582844949 Energy: 0.728132391567118 Energy: 0.6593935582844949 Energy: 0.728132391567118 Energy: 0.6593935582844949 Energy: 0.728132391567118 Energy: 0.7952276662179001 Energy: 0.8034925981522029 Energy: 0.7952276662173419 Energy: 0.8034925981516445 Energy: 0.7952276662179001 Energy: 0.8034925981522029 Energy: 0.7604224887915327 Energy: 0.628398378534047 Energy: 0.7604224887920911 Energy: 0.628398378534047 Energy: 0.7604224887915327 Energy: 0.628398378534047 Energy: 0.6891506629792217 Energy: 0.8068922642624153 Energy: 0.68915066297978 Energy: 0.8068922642624153 Energy: 0.68915066297978 Energy: 0.8068922642624153 Energy: 0.7679710987404539 Energy: 0.7800429998729487 Energy: 0.7679710987404539 Energy: 0.7800429998729487 Energy: 0.7679710987410122 Energy: 0.7800429998729487 Energy: 0.7687760047778396 Energy: 0.615799577638261 Energy: 0.7687760047778396 Energy: 0.615799577638261 Energy: 0.7687760047778396 Energy: 0.615799577638261 Energy: 0.7269098192555045 Energy: 0.8321908892374377 Energy: 0.7269098192555045 Energy: 0.8321908892374377 Energy: 0.7269098192549461 Energy: 0.8321908892374377 Energy: 0.7480655773355556 Energy: 0.7356379978586096 Energy: 0.7480655773349973 Energy: 0.7356379978586096 Energy: 0.7480655773355556 Energy: 0.7356379978580514 Energy: 0.7652028193107212 Energy: 0.7070573220362234 Energy: 0.7652028193107212 Energy: 0.7070573220362234 Energy: 0.7652028193107212 Energy: 0.7070573220367815 Energy: 0.7294765573386316 Energy: 0.7881936255958917 Energy: 0.7294765573386316 Energy: 0.7881936255958917 Energy: 0.7294765573386316 Energy: 0.7881936255958917 Energy: 0.7605639934619431 Energy: 0.7318254114210371 Energy: 0.7605639934613849 Energy: 0.7318254114204789 Energy: 0.7605639934613849 Energy: 0.7318254114204789 Energy: 0.7390700952104914 Energy: 0.7203222288175596 Energy: 0.7390700952104914 Energy: 0.7203222288175596 Energy: 0.7390700952104914 Energy: 0.7203222288175596 Energy: 0.7351159142281833 Energy: 0.7403125433503833 Energy: 0.7351159142281833 Energy: 0.7403125433503833 Energy: 0.7351159142281833 Energy: 0.7403125433503833 Energy: 0.7507899511720703 Energy: 0.7092949754641937 Energy: 0.750789951171512 Energy: 0.7092949754641937 Energy: 0.7507899511720703 Energy: 0.7092949754647522 Energy: 0.767480431526422 Energy: 0.7523925895962845 Energy: 0.767480431526422 Energy: 0.7523925895962845 Energy: 0.767480431526422 Energy: 0.7523925895962845 Energy: 0.7345452711798302 Energy: 0.7703075652866079 Energy: 0.7345452711798302 Energy: 0.7703075652866079 Energy: 0.7345452711798302 Energy: 0.7703075652866079 Energy: 0.8730879897373541 Energy: 0.608288170889084 Energy: 0.8730879897373541 Energy: 0.608288170889084 Energy: 0.8730879897373541 Energy: 0.608288170889084 Energy: 0.7675454003583035 Energy: 0.775977380331497 Energy: 0.7675454003583035 Energy: 0.775977380331497 Energy: 0.7675454003583035 Energy: 0.775977380331497 Energy: 0.6936607933436528 Energy: 0.7643228778855322 Energy: 0.6936607933436528 Energy: 0.7643228778855322 Energy: 0.6936607933436528 Energy: 0.7643228778855322 Energy: 0.8543356983457647 Energy: 0.6596499944329326 Energy: 0.8543356983457647 Energy: 0.6596499944329326 Energy: 0.8543356983457647 Energy: 0.6596499944329326 Energy: 0.7897922080153882 Energy: 0.7703109832751583 Energy: 0.7897922080153882 Energy: 0.7703109832746 Energy: 0.7897922080153882 Energy: 0.7703109832751583 Energy: 0.6632559894736945 Energy: 0.7882648940193305 Energy: 0.6632559894736945 Energy: 0.7882648940193305 Energy: 0.6632559894736945 Energy: 0.7882648940193305 Energy: 0.7988666088769096 Energy: 0.768539908013056 Energy: 0.7988666088769096 Energy: 0.768539908013056 Energy: 0.7988666088769096 Energy: 0.768539908013056 minimum gb energy = 0.608288170889084 eV minimum distance = 2.32373336507331 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 1.042677955548333 Energy: 0.9473053370027088 Energy: 1.0426779555475374 Energy: 0.9473053370027088 Energy: 1.0426779555475374 Energy: 0.9473053370027088 Energy: 0.9044022751151137 Energy: 0.9358258517384794 Energy: 0.9044022751151137 Energy: 0.9358258517392749 Energy: 0.9044022751151137 Energy: 0.9358258517392749 Energy: 0.9626066607380156 Energy: 0.9739622617719275 Energy: 0.9626066607380156 Energy: 0.9739622617719275 Energy: 0.9626066607380156 Energy: 0.9739622617719275 Energy: 0.9941696208748817 Energy: 0.9265368851758761 Energy: 0.9941696208748817 Energy: 0.9265368851758761 Energy: 0.9941696208748817 Energy: 0.9265368851758761 Energy: 0.8017874885065438 Energy: 0.8945252831106867 Energy: 0.8017874885065438 Energy: 0.8945252831106867 Energy: 0.8017874885065438 Energy: 0.8945252831106867 Energy: 0.9636006825987308 Energy: 0.9682353448180834 Energy: 0.9636006825987308 Energy: 0.9682353448180834 Energy: 0.9636006825987308 Energy: 0.9682353448180834 Energy: 0.9061077639394292 Energy: 0.8713160648746758 Energy: 0.9061077639394292 Energy: 0.8713160648746758 Energy: 0.9061077639394292 Energy: 0.8713160648746758 Energy: 0.8640920133417044 Energy: 0.8015225865939442 Energy: 0.8640920133417044 Energy: 0.8015225865939442 Energy: 0.8640920133417044 Energy: 0.8015225865939442 Energy: 1.000013204094358 Energy: 1.0186973345540427 Energy: 1.000013204094358 Energy: 1.0186973345540427 Energy: 1.000013204094358 Energy: 1.0186973345540427 Energy: 0.9531054355923149 Energy: 0.8160460785413388 Energy: 0.9531054355923149 Energy: 0.8160460785405433 Energy: 0.9531054355923149 Energy: 0.8160460785413388 Energy: 0.9807774755914836 Energy: 0.9680037777238257 Energy: 0.9807774755914836 Energy: 0.9680037777238257 Energy: 0.9807774755914836 Energy: 0.9680037777238257 Energy: 0.9122743643638204 Energy: 0.9427964391607768 Energy: 0.9122743643638204 Energy: 0.9427964391607768 Energy: 0.9122743643638204 Energy: 0.9427964391607768 Energy: 0.9533826387304163 Energy: 0.8018795272700445 Energy: 0.9533826387304163 Energy: 0.80187952727084 Energy: 0.9533826387304163 Energy: 0.80187952727084 Energy: 0.8924007851900445 Energy: 0.995352183383577 Energy: 0.8924007851900445 Energy: 0.995352183383577 Energy: 0.8924007851900445 Energy: 0.995352183383577 Energy: 0.9238304523528268 Energy: 0.8999312449286265 Energy: 0.9238304523528268 Energy: 0.8999312449286265 Energy: 0.9238304523528268 Energy: 0.8999312449294221 Energy: 0.9875584722002603 Energy: 0.9210231050950531 Energy: 0.9875584722002603 Energy: 0.9210231050950531 Energy: 0.9875584722002603 Energy: 0.9210231050950531 Energy: 0.9279246635557611 Energy: 0.9914088100620433 Energy: 0.9279246635557611 Energy: 0.9914088100620433 Energy: 0.9279246635557611 Energy: 0.9914088100620433 Energy: 0.9324418797820786 Energy: 0.889813552051734 Energy: 0.9324418797820786 Energy: 0.889813552051734 Energy: 0.9324418797820786 Energy: 0.889813552051734 Energy: 0.9742691643360921 Energy: 0.9669588239200285 Energy: 0.9742691643360921 Energy: 0.9669588239192332 Energy: 0.9742691643360921 Energy: 0.9669588239192332 Energy: 1.0702980213966866 Energy: 0.9751715843847975 Energy: 1.0702980213966866 Energy: 0.9751715843847975 Energy: 1.0702980213966866 Energy: 0.9751715843847975 Energy: 0.9842549079627699 Energy: 0.9101485918219203 Energy: 0.9842549079627699 Energy: 0.9101485918219203 Energy: 0.9842549079627699 Energy: 0.9101485918219203 Energy: 0.9899956869354265 Energy: 1.0195107131586063 Energy: 0.9899956869354265 Energy: 1.0195107131594021 Energy: 0.9899956869354265 Energy: 1.0195107131594021 Energy: 0.8645334138611297 Energy: 0.9729899948831316 Energy: 0.8645334138611297 Energy: 0.9729899948831316 Energy: 0.8645334138611297 Energy: 0.9729899948831316 minimum gb energy = 0.8015225865939442 eV minimum distance = 2.32405729332937 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 1.1577571039928842 Energy: 1.0160025091779077 Energy: 1.1577571039928842 Energy: 1.0160025091779077 Energy: 1.1577571039928842 Energy: 1.0160025091779077 Energy: 1.0147264386197428 Energy: 1.1058403097195495 Energy: 1.0147264386197428 Energy: 1.1058403097195495 Energy: 1.0147264386197428 Energy: 1.1058403097190446 Energy: 1.0703860006168557 Energy: 1.0969602702050494 Energy: 1.0703860006168557 Energy: 1.0969602702050494 Energy: 1.0703860006168557 Energy: 1.096960270205554 Energy: 1.0884695093014407 Energy: 1.0143547805454618 Energy: 1.0884695093014407 Energy: 1.0143547805459663 Energy: 1.0884695093014407 Energy: 1.0143547805459663 Energy: 1.037050042672151 Energy: 1.0532379779750147 Energy: 1.037050042672151 Energy: 1.0532379779750147 Energy: 1.037050042672151 Energy: 1.0532379779750147 Energy: 1.1496680667625778 Energy: 1.1172200722600067 Energy: 1.1496680667630825 Energy: 1.1172200722600067 Energy: 1.1496680667625778 Energy: 1.1172200722600067 Energy: 1.0113642307306023 Energy: 0.9752216455166561 Energy: 1.0113642307306023 Energy: 0.9752216455166561 Energy: 1.011364230731107 Energy: 0.9752216455166561 Energy: 1.0945108581726959 Energy: 1.0693677618195618 Energy: 1.0945108581726959 Energy: 1.0693677618195618 Energy: 1.0945108581732004 Energy: 1.0693677618195618 Energy: 1.0832226394612616 Energy: 1.0816996394113054 Energy: 1.0832226394612616 Energy: 1.0816996394113054 Energy: 1.0832226394612616 Energy: 1.0816996394113054 Energy: 1.1374916734573526 Energy: 1.021608473767971 Energy: 1.137491673457857 Energy: 1.021608473767971 Energy: 1.137491673457857 Energy: 1.021608473767971 Energy: 1.0982224085485477 Energy: 1.089392365896918 Energy: 1.0982224085485477 Energy: 1.089392365897423 Energy: 1.0982224085485477 Energy: 1.089392365896918 Energy: 1.0117574072343194 Energy: 1.0161563390718162 Energy: 1.0117574072343194 Energy: 1.0161563390718162 Energy: 1.0117574072343194 Energy: 1.0161563390718162 Energy: 1.1517361007897136 Energy: 1.045375695593747 Energy: 1.1517361007897136 Energy: 1.045375695593747 Energy: 1.1517361007897136 Energy: 1.045375695593747 Energy: 1.011142001490604 Energy: 1.0907517156179245 Energy: 1.011142001490604 Energy: 1.0907517156179245 Energy: 1.011142001490604 Energy: 1.0907517156179245 Energy: 1.0544661535548088 Energy: 1.0544042329353107 Energy: 1.0544661535553135 Energy: 1.0544042329353107 Energy: 1.0544661535553135 Energy: 1.0544042329353107 Energy: 1.088338715349924 Energy: 1.0934463260828156 Energy: 1.0883387153494195 Energy: 1.0934463260823108 Energy: 1.0883387153494195 Energy: 1.0934463260823108 Energy: 0.9337347296444534 Energy: 1.0928511680294795 Energy: 0.9337347296444534 Energy: 1.0928511680294795 Energy: 0.9337347296444534 Energy: 1.0928511680299842 Energy: 1.1109218541142447 Energy: 1.166521733876171 Energy: 1.1109218541142447 Energy: 1.166521733876171 Energy: 1.1109218541142447 Energy: 1.166521733876171 Energy: 1.0159585649581542 Energy: 1.1187204012202676 Energy: 1.0159585649581542 Energy: 1.1187204012202676 Energy: 1.0159585649581542 Energy: 1.1187204012202676 Energy: 1.0023218212854665 Energy: 1.1064994023804386 Energy: 1.0023218212854665 Energy: 1.1064994023804386 Energy: 1.0023218212854665 Energy: 1.1064994023804386 Energy: 1.0897233811160425 Energy: 1.0980959896297418 Energy: 1.0897233811160425 Energy: 1.0980959896297418 Energy: 1.0897233811160425 Energy: 1.0980959896297418 Energy: 1.048746632705081 Energy: 0.9933917134211722 Energy: 1.048746632705081 Energy: 0.9933917134211722 Energy: 1.0487466327055854 Energy: 0.9933917134211722 Energy: 1.065566615711255 Energy: 1.166712408142179 Energy: 1.065566615711255 Energy: 1.166712408142179 Energy: 1.065566615711255 Energy: 1.166712408142179 Energy: 1.136087994175943 Energy: 1.0172865114732332 Energy: 1.136087994175943 Energy: 1.0172865114732332 Energy: 1.136087994175943 Energy: 1.0172865114727285 Energy: 1.0111784303421556 Energy: 1.0164749433328946 Energy: 1.0111784303421556 Energy: 1.0164749433328946 Energy: 1.0111784303421556 Energy: 1.0164749433328946 Energy: 1.07941652098244 Energy: 1.0994766379593033 Energy: 1.0794165209819353 Energy: 1.099476637959808 Energy: 1.07941652098244 Energy: 1.099476637959808 Energy: 1.0124866600640439 Energy: 0.9931406129978203 Energy: 1.0124866600640439 Energy: 0.9931406129978203 Energy: 1.0124866600640439 Energy: 0.9931406129978203 Energy: 1.082755731390531 Energy: 1.1576796762603367 Energy: 1.082755731390531 Energy: 1.1576796762603367 Energy: 1.082755731390531 Energy: 1.1576796762603367 Energy: 1.0048237755236757 Energy: 1.0289089400898277 Energy: 1.0048237755236757 Energy: 1.0289089400898277 Energy: 1.0048237755236757 Energy: 1.028908940089346 Energy: 1.0088636161627038 Energy: 0.976533324879063 Energy: 1.0088636161627038 Energy: 0.976533324879063 Energy: 1.0088636161627038 Energy: 0.9765333248795677 Energy: 1.151163793853813 Energy: 1.1618876785426675 Energy: 1.151163793853813 Energy: 1.1618876785426675 Energy: 1.151163793853813 Energy: 1.1618876785426675 Energy: 0.9474645982128094 Energy: 1.1061439936664035 Energy: 0.9474645982128094 Energy: 1.1061439936664035 Energy: 0.9474645982128094 Energy: 1.1061439936664035 Energy: 1.0858966137926644 Energy: 1.0921724055242217 Energy: 1.085896613793169 Energy: 1.0921724055247262 Energy: 1.085896613793169 Energy: 1.0921724055247262 Energy: 1.0536576585483768 Energy: 1.058650976939297 Energy: 1.0536576585483768 Energy: 1.058650976939297 Energy: 1.0536576585483768 Energy: 1.058650976939297 Energy: 1.0177106347908638 Energy: 1.0970363857538137 Energy: 1.0177106347908638 Energy: 1.0970363857538137 Energy: 1.0177106347908638 Energy: 1.0970363857538137 Energy: 1.1580644033789835 Energy: 1.0092768173749436 Energy: 1.1580644033789835 Energy: 1.009276817374439 Energy: 1.1580644033789835 Energy: 1.009276817374439 Energy: 1.0167089666526186 Energy: 1.0509562488182802 Energy: 1.0167089666526186 Energy: 1.0509562488182802 Energy: 1.0167089666526186 Energy: 1.0509562488177757 minimum gb energy = 0.9337347296444534 eV minimum distance = 2.2842808537404 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 1.2610975490748564 Energy: 1.1916203346989396 Energy: 1.2610975490748564 Energy: 1.1916203346989396 Energy: 1.2610975490748564 Energy: 1.1916203346989396 Energy: 1.136916130510344 Energy: 1.2160427987334947 Energy: 1.136916130510344 Energy: 1.2160427987334947 Energy: 1.136916130510344 Energy: 1.2160427987334947 Energy: 1.3206203436720854 Energy: 1.1831031571775545 Energy: 1.3206203436720854 Energy: 1.1831031571775545 Energy: 1.3206203436720854 Energy: 1.1831031571775545 Energy: 1.3126090889967803 Energy: 1.2716349335026724 Energy: 1.3126090889967803 Energy: 1.2716349335026724 Energy: 1.3126090889967803 Energy: 1.2716349335026724 Energy: 1.12158003520187 Energy: 1.1790624860124799 Energy: 1.12158003520187 Energy: 1.1790624860124799 Energy: 1.12158003520187 Energy: 1.1790624860124799 Energy: 1.3396897320226253 Energy: 1.257734878673689 Energy: 1.3396897320226253 Energy: 1.257734878673689 Energy: 1.3396897320226253 Energy: 1.257734878673689 Energy: 1.2412213262259826 Energy: 1.1073178928472995 Energy: 1.2412213262259826 Energy: 1.1073178928472995 Energy: 1.2412213262259826 Energy: 1.1073178928472995 Energy: 1.2481101331550848 Energy: 1.1938880288611018 Energy: 1.2481101331550848 Energy: 1.1938880288611018 Energy: 1.2481101331550848 Energy: 1.1938880288611018 Energy: 1.137391547628875 Energy: 1.1560818864059772 Energy: 1.137391547628875 Energy: 1.1560818864059772 Energy: 1.137391547628875 Energy: 1.1560818864059772 Energy: 1.2439009985243614 Energy: 1.2087549297653382 Energy: 1.2439009985243614 Energy: 1.2087549297667162 Energy: 1.2439009985243614 Energy: 1.2087549297667162 Energy: 1.1401787460270154 Energy: 1.183295507357079 Energy: 1.1401787460270154 Energy: 1.1832955073557014 Energy: 1.1401787460270154 Energy: 1.183295507357079 Energy: 1.2236640807162218 Energy: 1.2150987286514927 Energy: 1.2236640807148436 Energy: 1.2150987286514927 Energy: 1.2236640807162218 Energy: 1.2150987286514927 Energy: 1.226578538456689 Energy: 1.2719233605266511 Energy: 1.226578538456689 Energy: 1.2719233605266511 Energy: 1.226578538456689 Energy: 1.2719233605266511 Energy: 1.22202280257493 Energy: 1.2177289098727488 Energy: 1.2220228025763076 Energy: 1.2177289098727488 Energy: 1.22202280257493 Energy: 1.2177289098727488 minimum gb energy = 1.1073178928472995 eV minimum distance = 2.25631081402961 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 1.4003696899543958 Energy: 1.2995779319849445 Energy: 1.4003696899543958 Energy: 1.2995779319849445 Energy: 1.4003696899543958 Energy: 1.29957793198555 Energy: 1.253648838346332 Energy: 1.2728331979973653 Energy: 1.253648838346332 Energy: 1.2728331979973653 Energy: 1.253648838346332 Energy: 1.2728331979973653 Energy: 1.3762797169028154 Energy: 1.2738429596328689 Energy: 1.3762797169028154 Energy: 1.2738429596328689 Energy: 1.3762797169028154 Energy: 1.2738429596328689 Energy: 1.3126928004955492 Energy: 1.2458680028199745 Energy: 1.3126928004955492 Energy: 1.2458680028199745 Energy: 1.3126928004955492 Energy: 1.2458680028199745 Energy: 1.3882787262026464 Energy: 1.2767021506581708 Energy: 1.3882787262026464 Energy: 1.2767021506581708 Energy: 1.3882787262026464 Energy: 1.2767021506581708 Energy: 1.314175222286076 Energy: 1.3473682757760443 Energy: 1.314175222286076 Energy: 1.3473682757760443 Energy: 1.3141752222866816 Energy: 1.3473682757760443 Energy: 1.3252905115155644 Energy: 1.3084255460053593 Energy: 1.3252905115155644 Energy: 1.3084255460053593 Energy: 1.3252905115155644 Energy: 1.3084255460053593 Energy: 1.2967027354675955 Energy: 1.3295214761453222 Energy: 1.2967027354675955 Energy: 1.3295214761453222 Energy: 1.2967027354675955 Energy: 1.3295214761453222 Energy: 1.3308590496555164 Energy: 1.326187703527794 Energy: 1.3308590496555164 Energy: 1.326187703527794 Energy: 1.3308590496555164 Energy: 1.326187703527794 Energy: 1.2822479319144677 Energy: 1.3533469158270524 Energy: 1.2822479319144677 Energy: 1.3533469158270524 Energy: 1.2822479319144677 Energy: 1.3533469158270524 Energy: 1.3114761086679172 Energy: 1.3178358337680989 Energy: 1.3114761086679172 Energy: 1.3178358337680989 Energy: 1.3114761086679172 Energy: 1.3178358337680989 Energy: 1.3374065843021552 Energy: 1.3467728986276932 Energy: 1.3374065843021552 Energy: 1.3467728986276932 Energy: 1.3374065843021552 Energy: 1.3467728986282985 Energy: 1.3032320001994115 Energy: 1.2854587960064823 Energy: 1.3032320001994115 Energy: 1.2854587960064823 Energy: 1.3032320001994115 Energy: 1.2854587960064823 Energy: 1.3477302571943428 Energy: 1.3054810767990415 Energy: 1.3477302571943428 Energy: 1.3054810767996468 Energy: 1.3477302571943428 Energy: 1.3054810767996468 Energy: 1.285128456586376 Energy: 1.3327321109638595 Energy: 1.285128456586376 Energy: 1.3327321109638595 Energy: 1.285128456586376 Energy: 1.3327321109638595 Energy: 1.320055163630244 Energy: 1.3016730575256494 Energy: 1.320055163630244 Energy: 1.3016730575256494 Energy: 1.320055163630244 Energy: 1.3016730575256494 Energy: 1.2439931824357937 Energy: 1.2959661228352495 Energy: 1.2439931824357937 Energy: 1.2959661228352495 Energy: 1.2439931824357937 Energy: 1.2959661228352495 Energy: 1.3354272203075794 Energy: 1.3306631438300374 Energy: 1.3354272203075794 Energy: 1.3306631438300374 Energy: 1.3354272203075794 Energy: 1.3306631438300374 Energy: 1.3028886931131094 Energy: 1.229140525727766 Energy: 1.3028886931131094 Energy: 1.229140525727766 Energy: 1.3028886931131094 Energy: 1.229140525727766 Energy: 1.3040164730567365 Energy: 1.2923083877026968 Energy: 1.3040164730567365 Energy: 1.2923083877026968 Energy: 1.3040164730567365 Energy: 1.2923083877026968 Energy: 1.2713921620346407 Energy: 1.2778868262428416 Energy: 1.2713921620346407 Energy: 1.2778868262428416 Energy: 1.2713921620346407 Energy: 1.2778868262428416 Energy: 1.3669540263107371 Energy: 1.3952490166968006 Energy: 1.3669540263107371 Energy: 1.3952490166968006 Energy: 1.3669540263107371 Energy: 1.3952490166968006 Energy: 1.2994968781804066 Energy: 1.2738616909947402 Energy: 1.2994968781804066 Energy: 1.2738616909947402 Energy: 1.2994968781804066 Energy: 1.2738616909947402 Energy: 1.3711689512490168 Energy: 1.2732265050816625 Energy: 1.3711689512490168 Energy: 1.2732265050816625 Energy: 1.3711689512490168 Energy: 1.2732265050816625 Energy: 1.2974960176568997 Energy: 1.3339119720857182 Energy: 1.2974960176568997 Energy: 1.3339119720857182 Energy: 1.2974960176568997 Energy: 1.3339119720857182 Energy: 1.2834925407832363 Energy: 1.2946086242394999 Energy: 1.2834925407832363 Energy: 1.2946086242394999 Energy: 1.2834925407832363 Energy: 1.2946086242394999 Energy: 1.2956725008115846 Energy: 1.3726872854605876 Energy: 1.2956725008115846 Energy: 1.3726872854605876 Energy: 1.2956725008115846 Energy: 1.3726872854605876 Energy: 1.3128567986016182 Energy: 1.2698625372262122 Energy: 1.3128567986016182 Energy: 1.2698625372268173 Energy: 1.3128567986016182 Energy: 1.2698625372268173 Energy: 1.3577027150660634 Energy: 1.3172462841169135 Energy: 1.3577027150660634 Energy: 1.3172462841169135 Energy: 1.3577027150660634 Energy: 1.3172462841169135 Energy: 1.2839055962249462 Energy: 1.2353715679298904 Energy: 1.2839055962249462 Energy: 1.2353715679298904 Energy: 1.2839055962249462 Energy: 1.2353715679298904 Energy: 1.2821998275010085 Energy: 1.4080538778820573 Energy: 1.2821998275010085 Energy: 1.4080538778826623 Energy: 1.2821998275010085 Energy: 1.4080538778820573 minimum gb energy = 1.229140525727766 eV minimum distance = 2.2330855157727 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.1814729609757242 Energy: 1.1812187932022586 Energy: 1.1814729609768015 Energy: 1.1812187932022586 Energy: 1.1814729609757242 Energy: 1.1812187932022586 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.1833523220262123 Energy: 1.1775534003275683 Energy: 1.1833523220262123 Energy: 1.1775534003275683 Energy: 1.1833523220262123 Energy: 1.1775534003286452 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.1814729609746473 Energy: 1.1812187932022586 Energy: 1.1814729609746473 Energy: 1.1812187932022586 Energy: 1.1814729609757242 Energy: 1.1812187932022586 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.1833523220262123 Energy: 1.1775534003275683 Energy: 1.1833523220262123 Energy: 1.1775534003286452 Energy: 1.1833523220262123 Energy: 1.1775534003275683 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.1829391704307815 Energy: 1.191880089912784 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.183468018745734 Energy: 1.1393338998566633 Energy: 1.1814729609757242 Energy: 1.1812187932022586 Energy: 1.1814729609757242 Energy: 1.1812187932022586 Energy: 1.1814729609768015 Energy: 1.1812187932022586 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.1649479204524338 Energy: 1.2383342024596946 Energy: 1.1649479204524338 Energy: 1.142076011665609 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.181352103545207 Energy: 1.1812211762855696 Energy: 1.181352103545207 Energy: 1.1812211762855696 minimum gb energy = 1.1393338998566633 eV minimum distance = 2.27523289166989 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 1.3602541920892537 Energy: 1.249591388321858 Energy: 1.3602541920892537 Energy: 1.249591388321858 Energy: 1.360254192090133 Energy: 1.249591388321858 Energy: 1.3316384011005138 Energy: 1.3042967219690158 Energy: 1.3316384011005138 Energy: 1.3042967219690158 Energy: 1.3316384011005138 Energy: 1.3042967219690158 Energy: 1.2973861561019433 Energy: 1.28843183984132 Energy: 1.2973861561010638 Energy: 1.28843183984132 Energy: 1.2973861561010638 Energy: 1.28843183984132 Energy: 1.2798674407488986 Energy: 1.4034061857691806 Energy: 1.2798674407488986 Energy: 1.4034061857691806 Energy: 1.2798674407488986 Energy: 1.4034061857691806 Energy: 1.3400350554282576 Energy: 1.319228542647155 Energy: 1.3400350554273783 Energy: 1.319228542647155 Energy: 1.3400350554273783 Energy: 1.319228542647155 Energy: 1.3411560519917243 Energy: 1.3134573693068654 Energy: 1.3411560519917243 Energy: 1.3134573693068654 Energy: 1.3411560519917243 Energy: 1.3134573693068654 Energy: 1.27932429215135 Energy: 1.3547555421645083 Energy: 1.27932429215135 Energy: 1.3547555421645083 Energy: 1.27932429215135 Energy: 1.3547555421645083 Energy: 1.2846013859432488 Energy: 1.3660455152109234 Energy: 1.2846013859432488 Energy: 1.3660455152109234 Energy: 1.2846013859432488 Energy: 1.3660455152109234 Energy: 1.4146717264316868 Energy: 1.342215911933378 Energy: 1.4146717264316868 Energy: 1.342215911933378 Energy: 1.4146717264316868 Energy: 1.342215911933378 Energy: 1.281778256713201 Energy: 1.3058348051559425 Energy: 1.281778256713201 Energy: 1.3058348051559425 Energy: 1.281778256713201 Energy: 1.3058348051559425 Energy: 1.31969372380717 Energy: 1.3291765551525574 Energy: 1.31969372380717 Energy: 1.3291765551525574 Energy: 1.31969372380717 Energy: 1.3291765551525574 Energy: 1.365784001460471 Energy: 1.3150512150161822 Energy: 1.365784001460471 Energy: 1.3150512150161822 Energy: 1.365784001460471 Energy: 1.3150512150161822 Energy: 1.2951080110459119 Energy: 1.3586027593910288 Energy: 1.2951080110459119 Energy: 1.3586027593910288 Energy: 1.2951080110459119 Energy: 1.3586027593910288 Energy: 1.3172041057891064 Energy: 1.2914780479917753 Energy: 1.3172041057891064 Energy: 1.2914780479917753 Energy: 1.3172041057891064 Energy: 1.2914780479917753 Energy: 1.3547032675695274 Energy: 1.3115812203147506 Energy: 1.354703267568648 Energy: 1.3115812203147506 Energy: 1.354703267568648 Energy: 1.3115812203147506 Energy: 1.3551580307915732 Energy: 1.3301363651327105 Energy: 1.3551580307915732 Energy: 1.3301363651327105 Energy: 1.3551580307915732 Energy: 1.3301363651327105 Energy: 1.349959186190739 Energy: 1.3831872996555643 Energy: 1.3499591861898597 Energy: 1.3831872996555643 Energy: 1.3499591861898597 Energy: 1.3831872996555643 Energy: 1.4752978825634309 Energy: 1.3309185585965357 Energy: 1.4752978825634309 Energy: 1.3309185585965357 Energy: 1.4752978825634309 Energy: 1.3309185585965357 Energy: 1.2624236035572531 Energy: 1.2978731408902826 Energy: 1.2624236035572531 Energy: 1.2978731408911621 Energy: 1.2624236035572531 Energy: 1.2978731408911621 Energy: 1.283502941257045 Energy: 1.2511114864561084 Energy: 1.283502941257045 Energy: 1.2511114864561084 Energy: 1.283502941257045 Energy: 1.2511114864561084 Energy: 1.4371084525155668 Energy: 1.323825776794089 Energy: 1.4371084525155668 Energy: 1.323825776794089 Energy: 1.4371084525164461 Energy: 1.323825776794089 minimum gb energy = 1.249591388321858 eV minimum distance = 2.21992399055965 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.4476375611618277 Energy: 1.3901095503579142 Energy: 1.4476375611618277 Energy: 1.3901095503579142 Energy: 1.4476375611618277 Energy: 1.3901095503586554 Energy: 1.3986054422103744 Energy: 1.348121389157858 Energy: 1.3986054422103744 Energy: 1.348121389157858 Energy: 1.3986054422103744 Energy: 1.3481213891571167 Energy: 1.3592012768828658 Energy: 1.2640156813588024 Energy: 1.3592012768828658 Energy: 1.2640156813588024 Energy: 1.3592012768828658 Energy: 1.2640156813588024 Energy: 1.2893103563066497 Energy: 1.3456939623833344 Energy: 1.2893103563066497 Energy: 1.3456939623833344 Energy: 1.2893103563066497 Energy: 1.3456939623833344 Energy: 1.3170720402225777 Energy: 1.361674884404583 Energy: 1.3170720402225777 Energy: 1.361674884404583 Energy: 1.3170720402225777 Energy: 1.361674884404583 Energy: 1.333049204971379 Energy: 1.4207964322778956 Energy: 1.333049204971379 Energy: 1.4207964322778956 Energy: 1.333049204971379 Energy: 1.4207964322778956 Energy: 1.2922231097233468 Energy: 1.3916994231930786 Energy: 1.2922231097233468 Energy: 1.3916994231930786 Energy: 1.2922231097240882 Energy: 1.3916994231923372 Energy: 1.3165483511424272 Energy: 1.3582668263881363 Energy: 1.3165483511424272 Energy: 1.3582668263881363 Energy: 1.3165483511424272 Energy: 1.3582668263881363 Energy: 1.333726542728212 Energy: 1.2949079836984496 Energy: 1.333726542728212 Energy: 1.2949079836984496 Energy: 1.333726542728212 Energy: 1.2949079836984496 Energy: 1.4501611821485918 Energy: 1.3400526492290306 Energy: 1.4501611821485918 Energy: 1.3400526492290306 Energy: 1.4501611821485918 Energy: 1.3400526492290306 Energy: 1.4074376276434981 Energy: 1.3608264450830003 Energy: 1.4074376276442395 Energy: 1.3608264450830003 Energy: 1.4074376276434981 Energy: 1.3608264450830003 Energy: 1.395324011814579 Energy: 1.2926889638546253 Energy: 1.395324011814579 Energy: 1.2926889638546253 Energy: 1.395324011814579 Energy: 1.2926889638546253 Energy: 1.3710067407843036 Energy: 1.3348170598801106 Energy: 1.3710067407843036 Energy: 1.3348170598801106 Energy: 1.3710067407843036 Energy: 1.3348170598801106 Energy: 1.289555075049218 Energy: 1.3378254806982581 Energy: 1.2895550750484768 Energy: 1.3378254806975167 Energy: 1.2895550750484768 Energy: 1.3378254806975167 Energy: 1.3209982549260328 Energy: 1.4184759978604307 Energy: 1.3209982549260328 Energy: 1.4184759978604307 Energy: 1.3209982549260328 Energy: 1.4184759978604307 Energy: 1.3618233950562593 Energy: 1.3873348406128203 Energy: 1.3618233950562593 Energy: 1.3873348406128203 Energy: 1.3618233950562593 Energy: 1.3873348406128203 Energy: 1.2829319778042079 Energy: 1.3616261335585302 Energy: 1.2829319778042079 Energy: 1.3616261335585302 Energy: 1.2829319778042079 Energy: 1.3616261335585302 Energy: 1.345134350213748 Energy: 1.2828836093230818 Energy: 1.345134350213748 Energy: 1.2828836093230818 Energy: 1.345134350213748 Energy: 1.2828836093230818 Energy: 1.2728206865456853 Energy: 1.291712178851351 Energy: 1.2728206865456853 Energy: 1.2917121788506096 Energy: 1.2728206865456853 Energy: 1.291712178851351 Energy: 1.4476375611618277 Energy: 1.3901095503586554 Energy: 1.4476375611618277 Energy: 1.3901095503586554 Energy: 1.4476375611618277 Energy: 1.3901095503579142 Energy: 1.398605442209633 Energy: 1.348121389157858 Energy: 1.398605442209633 Energy: 1.348121389157858 Energy: 1.3986054422103744 Energy: 1.348121389157858 Energy: 1.3592012768828658 Energy: 1.2640156813588024 Energy: 1.3592012768828658 Energy: 1.2640156813588024 Energy: 1.3592012768828658 Energy: 1.2640156813588024 Energy: 1.2893103563066497 Energy: 1.345693962382593 Energy: 1.2893103563066497 Energy: 1.3456939623833344 Energy: 1.2893103563066497 Energy: 1.345693962382593 Energy: 1.3170720402225777 Energy: 1.361674884404583 Energy: 1.3170720402225777 Energy: 1.361674884404583 Energy: 1.3170720402225777 Energy: 1.361674884404583 Energy: 1.33304920497212 Energy: 1.4207964322778956 Energy: 1.333049204971379 Energy: 1.4207964322778956 Energy: 1.33304920497212 Energy: 1.4207964322778956 minimum gb energy = 1.2640156813588024 eV minimum distance = 2.22846745847021 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 1.3392888471384106 Energy: 1.4491294607928151 Energy: 1.3392888471384106 Energy: 1.4491294607928151 Energy: 1.3392888471384106 Energy: 1.4491294607928151 Energy: 1.3440270767260216 Energy: 1.2958085564489374 Energy: 1.3440270767260216 Energy: 1.2958085564489374 Energy: 1.3440270767260216 Energy: 1.2958085564489374 Energy: 1.3975852369594353 Energy: 1.2383002872470026 Energy: 1.3975852369594353 Energy: 1.2383002872470026 Energy: 1.3975852369594353 Energy: 1.2383002872470026 Energy: 1.2523843631335876 Energy: 1.311998475266631 Energy: 1.2523843631335876 Energy: 1.311998475266631 Energy: 1.2523843631335876 Energy: 1.311998475266631 Energy: 1.3311612409297127 Energy: 1.3686656014615421 Energy: 1.3311612409297127 Energy: 1.368665601462182 Energy: 1.3311612409297127 Energy: 1.3686656014615421 Energy: 1.3122239975226164 Energy: 1.284551405901997 Energy: 1.3122239975226164 Energy: 1.2845514059026366 Energy: 1.3122239975226164 Energy: 1.284551405901997 Energy: 1.2201687013305824 Energy: 1.3729887630963145 Energy: 1.2201687013305824 Energy: 1.3729887630956747 Energy: 1.2201687013305824 Energy: 1.3729887630956747 Energy: 1.2787917472815074 Energy: 1.394642110223003 Energy: 1.2787917472815074 Energy: 1.394642110223643 Energy: 1.2787917472815074 Energy: 1.3946421102274822 Energy: 1.4197292157017252 Energy: 1.2350987964249973 Energy: 1.4197292157017252 Energy: 1.2350987964249973 Energy: 1.4197292157017252 Energy: 1.2350987964249973 Energy: 1.3373108796613566 Energy: 1.3188534557775131 Energy: 1.3373108796613566 Energy: 1.3188534557775131 Energy: 1.3373108796613566 Energy: 1.3188534557775131 Energy: 1.2558864247286365 Energy: 1.4212165412234117 Energy: 1.2558864247286365 Energy: 1.4212165412234117 Energy: 1.2558864247286365 Energy: 1.4212165412234117 Energy: 1.3537901336205516 Energy: 1.2348341823458866 Energy: 1.3537901336205516 Energy: 1.2348341823458866 Energy: 1.3537901336205516 Energy: 1.2348341823458866 Energy: 1.3215946299780212 Energy: 1.3064170609366446 Energy: 1.3215946299780212 Energy: 1.3064170609366446 Energy: 1.3215946299780212 Energy: 1.3064170609366446 Energy: 1.272766410925438 Energy: 1.290405472343758 Energy: 1.272766410926078 Energy: 1.290405472343758 Energy: 1.272766410926078 Energy: 1.290405472343758 Energy: 1.3813197819348972 Energy: 1.2408401650022063 Energy: 1.3813197819348972 Energy: 1.2408401650022063 Energy: 1.3813197819348972 Energy: 1.2408401650022063 Energy: 1.3615860558359987 Energy: 1.2347022355082924 Energy: 1.3615860558359987 Energy: 1.2347022355082924 Energy: 1.3615860558359987 Energy: 1.2347022355082924 Energy: 1.2510208119994073 Energy: 1.3225712401254222 Energy: 1.2510208119987678 Energy: 1.3225712401254222 Energy: 1.2510208119987678 Energy: 1.3225712401254222 Energy: 1.3132085324736862 Energy: 1.362713537211642 Energy: 1.3132085324730463 Energy: 1.362713537211642 Energy: 1.3132085324730463 Energy: 1.362713537211642 Energy: 1.3699300838371347 Energy: 1.2870363702579561 Energy: 1.3699300838371347 Energy: 1.2870363702585963 Energy: 1.3699300838371347 Energy: 1.2870363702585963 Energy: 1.2652839313983733 Energy: 1.3690669809866691 Energy: 1.2652839313983733 Energy: 1.3690669809866691 Energy: 1.2652839313983733 Energy: 1.3690669809866691 Energy: 1.2371341157496156 Energy: 1.4052313452747422 Energy: 1.2371341157496156 Energy: 1.4052313452741023 Energy: 1.2371341157496156 Energy: 1.4052313452741023 Energy: 1.4312168782520764 Energy: 1.253400117315418 Energy: 1.4312168782520764 Energy: 1.253400117315418 Energy: 1.4312168782520764 Energy: 1.253400117315418 Energy: 1.3348990333203037 Energy: 1.3297355693530206 Energy: 1.3348990333203037 Energy: 1.3297355693530206 Energy: 1.3348990333203037 Energy: 1.3297355693530206 Energy: 1.3401544810949193 Energy: 1.3873083355829037 Energy: 1.3401544810949193 Energy: 1.3873083355829037 Energy: 1.3401544810949193 Energy: 1.3873083355829037 Energy: 1.342673943634172 Energy: 1.2647504709044972 Energy: 1.342673943634172 Energy: 1.2647504709044972 Energy: 1.342673943634172 Energy: 1.2647504709044972 Energy: 1.2646937806958796 Energy: 1.275568840257784 Energy: 1.2646937806958796 Energy: 1.275568840257784 Energy: 1.2646937806945997 Energy: 1.275568840257784 Energy: 1.2323747389913218 Energy: 1.3189227374586576 Energy: 1.2323747389913218 Energy: 1.318922737458018 Energy: 1.2323747389913218 Energy: 1.3189227374586576 Energy: 1.371081757294061 Energy: 1.2902533973146464 Energy: 1.371081757294061 Energy: 1.2902533973146464 Energy: 1.371081757294061 Energy: 1.2902533973146464 Energy: 1.3673400607148989 Energy: 1.2904084989680296 Energy: 1.3673400607148989 Energy: 1.2904084989686404 Energy: 1.3673400607148989 Energy: 1.2904084989686404 minimum gb energy = 1.2201687013305824 eV minimum distance = 2.23432649788238 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 1.2648150302745902 Energy: 1.3499514462276512 Energy: 1.2648150302740278 Energy: 1.3499514462276512 Energy: 1.2648150302745902 Energy: 1.3499514462276512 Energy: 1.327883729647257 Energy: 1.2140392428127398 Energy: 1.3278837296466948 Energy: 1.2140392428127398 Energy: 1.327883729647257 Energy: 1.2140392428127398 Energy: 1.2718154400991128 Energy: 1.1946238909330174 Energy: 1.2718154400991128 Energy: 1.1946238909330174 Energy: 1.2718154400991128 Energy: 1.1946238909330174 Energy: 1.16423754600677 Energy: 1.2636125160906218 Energy: 1.16423754600677 Energy: 1.2636125160906218 Energy: 1.16423754600677 Energy: 1.2636125160906218 Energy: 1.2476541293315837 Energy: 1.2475107046506628 Energy: 1.2476541293315837 Energy: 1.2475107046506628 Energy: 1.2476541293315837 Energy: 1.2475107046506628 Energy: 1.3122479875935602 Energy: 1.1932475898317818 Energy: 1.3122479875929978 Energy: 1.1932475898317818 Energy: 1.3122479875929978 Energy: 1.1932475898317818 Energy: 1.216753101233288 Energy: 1.3105636881429614 Energy: 1.216753101233288 Energy: 1.3105636881429614 Energy: 1.216753101233288 Energy: 1.3105636881429614 Energy: 1.1656890855340507 Energy: 1.3010204318140046 Energy: 1.1656890855334883 Energy: 1.3010204318134422 Energy: 1.1656890855340507 Energy: 1.3010204318140046 Energy: 1.2754328312958472 Energy: 1.1955396190406486 Energy: 1.2754328312958472 Energy: 1.1955396190406486 Energy: 1.2754328312958472 Energy: 1.1955396190406486 Energy: 1.244920962968452 Energy: 1.3129033031478587 Energy: 1.2449209629690143 Energy: 1.3129033031478587 Energy: 1.2449209629690143 Energy: 1.3129033031478587 Energy: 1.1610203092112925 Energy: 1.4658585600700065 Energy: 1.1610203092112925 Energy: 1.4658585600705691 Energy: 1.1610203092112925 Energy: 1.4658585600700065 Energy: 1.3098930780585083 Energy: 1.2178515150935658 Energy: 1.3098930780585083 Energy: 1.2178515150935658 Energy: 1.3098930780590707 Energy: 1.2178515150935658 Energy: 1.298960567881573 Energy: 1.1944155750851568 Energy: 1.298960567881573 Energy: 1.1944155750851568 Energy: 1.298960567881573 Energy: 1.1944155750851568 Energy: 1.2655049436607297 Energy: 1.3395945545839836 Energy: 1.2655049436607297 Energy: 1.3395945545839836 Energy: 1.2655049436607297 Energy: 1.3395945545839836 Energy: 1.277218693022768 Energy: 1.2428855788537925 Energy: 1.277218693022768 Energy: 1.2428855788537925 Energy: 1.277218693022768 Energy: 1.2428855788537925 Energy: 1.272849776878321 Energy: 1.1926221078201058 Energy: 1.272849776878321 Energy: 1.1926221078201058 Energy: 1.2728497768777585 Energy: 1.1926221078201058 Energy: 1.1572688241689346 Energy: 1.341908951153708 Energy: 1.1572688241689346 Energy: 1.3419089511542703 Energy: 1.1572688241689346 Energy: 1.3419089511542703 Energy: 1.1556849128143045 Energy: 1.2957089471876204 Energy: 1.1556849128143045 Energy: 1.2957089471876204 Energy: 1.1556849128143045 Energy: 1.2957089471876204 Energy: 1.309553772353005 Energy: 1.1951264948675373 Energy: 1.309553772353005 Energy: 1.1951264948681 Energy: 1.3095537723524426 Energy: 1.1951264948681 Energy: 1.2154545884665249 Energy: 1.2603899806170675 Energy: 1.2154545884665249 Energy: 1.2603899806159424 Energy: 1.2154545884665249 Energy: 1.260389980616505 Energy: 1.1609707959122697 Energy: 1.4858568769802736 Energy: 1.1609707959122697 Energy: 1.4858568769802736 Energy: 1.1609707959122697 Energy: 1.4858568769802736 Energy: 1.3852067735135907 Energy: 1.1865904201625679 Energy: 1.3852067735135907 Energy: 1.1865904201625679 Energy: 1.3852067735135907 Energy: 1.1865904201625679 Energy: 1.3811889374100774 Energy: 1.1874826419253404 Energy: 1.3811889374100774 Energy: 1.1874826419253404 Energy: 1.3811889374100774 Energy: 1.1874826419253404 Energy: 1.164291249334975 Energy: 1.3363721451551631 Energy: 1.164291249334975 Energy: 1.3363721451551631 Energy: 1.164291249334975 Energy: 1.3363721451551631 Energy: 1.3093183832663382 Energy: 1.243153574970074 Energy: 1.3093183832669006 Energy: 1.243153574970074 Energy: 1.3093183832669006 Energy: 1.243153574970074 Energy: 1.2991464892315923 Energy: 1.1926516308262722 Energy: 1.2991464892315923 Energy: 1.1926516308262722 Energy: 1.2991464892315923 Energy: 1.1926516308262722 Energy: 1.264490438621197 Energy: 1.335195033446296 Energy: 1.264490438621197 Energy: 1.335195033446296 Energy: 1.264490438621197 Energy: 1.335195033446296 Energy: 1.2648899259908315 Energy: 1.2895368276475292 Energy: 1.2648899259908315 Energy: 1.2895368276475292 Energy: 1.2648899259908315 Energy: 1.2895368276475292 Energy: 1.3379660505513467 Energy: 1.2101643375556304 Energy: 1.337966050550784 Energy: 1.2101643375556304 Energy: 1.3379660505513467 Energy: 1.2101643375556304 Energy: 1.156143721051445 Energy: 1.2701246486562687 Energy: 1.156143721051445 Energy: 1.2701246486562687 Energy: 1.156143721051445 Energy: 1.2701246486562687 Energy: 1.1576803792385812 Energy: 1.3176761104814079 Energy: 1.1576803792385812 Energy: 1.3176761104814079 Energy: 1.1576803792385812 Energy: 1.3176761104814079 Energy: 1.3761303296307061 Energy: 1.1865520267062049 Energy: 1.3761303296301435 Energy: 1.1865520267056422 Energy: 1.3761303296307061 Energy: 1.1865520267062049 Energy: 1.3555495429966662 Energy: 1.1867650065420308 Energy: 1.3555495429966662 Energy: 1.186765006542593 Energy: 1.3555495429966662 Energy: 1.1867650065420308 minimum gb energy = 1.1556849128143045 eV minimum distance = 2.24605181639279 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.013329568402562456 Energy: 1.0722113517680048 Energy: 0.013329568402562456 Energy: 1.0722113517680048 Energy: 0.013329568402562456 Energy: 1.0722113517680048 Energy: 0.014107729681110839 Energy: 0.44993565911138844 Energy: 0.014107729681110839 Energy: 0.44993565911138844 Energy: 0.014107729681110839 Energy: 0.44993565911182976 Energy: 1.0724193006975773 Energy: 0.4497988127714291 Energy: 1.0724193006975773 Energy: 0.4497988127714291 Energy: 1.0724193006975773 Energy: 0.4497988127714291 Energy: 0.014107729681110839 Energy: 0.44993565911138844 Energy: 0.014107729681110839 Energy: 0.44993565911138844 Energy: 0.014107729681110839 Energy: 0.44993565911138844 minimum gb energy = 0.013329568402562456 eV minimum distance = 2.48394291662276 Angstroms sigma value = 1