Model name: model_name=Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391734480858
cohesive_energy=4.450349978305024
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.020517088834679592
Energy: 0.4657888287364846
Energy: 0.465788828738008
Energy: 0.020517088834679592
Energy: 0.4657888287364846
Energy: 0.465788828738008
Energy: 0.020517088834679592
Energy: 0.4657888287364846
Energy: 0.465788828738008
Energy: 0.020517088834679592
Energy: 0.46356693587007336
Energy: 0.022639618506589323
Energy: 0.46425056073070536
Energy: 0.46356693587007336
Energy: 0.022639618506589323
Energy: 0.46425056073070536
Energy: 0.46356693587007336
Energy: 0.022639618506589323
Energy: 0.46425056073070536
Energy: 0.46356693587007336
Energy: 2.217205201075185
Energy: 0.8170182055960439
Energy: 0.7043338909315359
Energy: 1.4963852065224625
Energy: 0.8170182055960439
Energy: 0.8170182055960439
Energy: 1.1445293602373678
Energy: 0.8170182055960439
Energy: 0.8170182055960439
Energy: 1.1446485391915437
Energy: 0.46356693587007336
Energy: 0.46425056073070536
Energy: 0.022639618506589323
Energy: 0.46356693587007336
Energy: 0.46425056073070536
Energy: 0.022639618506589323
Energy: 0.46356693587007336
Energy: 0.46425056073070536
Energy: 0.022639618506589323
Energy: 0.46356693587007336
Energy: 0.020517088834679592
Energy: 0.4657888287364846
Energy: 0.465788828738008
Energy: 0.020517088834679592
Energy: 0.4657888287364846
Energy: 0.465788828738008
Energy: 0.020517088834679592
Energy: 0.465788828738008
Energy: 0.465788828738008
Energy: 0.020517088834679592
Energy: 0.46356693587007336
Energy: 0.022639618506589323
Energy: 0.46425056073070536
Energy: 0.46356693587007336
Energy: 0.022639618506589323
Energy: 0.46425056073070536
Energy: 0.46356693587007336
Energy: 0.022639618506589323
Energy: 0.46425056073070536
Energy: 0.46356693587007336
Energy: 1.1446166393332564
Energy: 0.2754154785318885
Energy: 0.021222474341786073
Energy: 1.1446297094380042
Energy: 0.2754154785318885
Energy: 0.021222474341786073
Energy: 1.144653757412889
Energy: 0.2754154785318885
Energy: 0.021222474341786073
Energy: 1.1446206623756963

minimum gb energy = 0.020517088834679592 eV
minimum distance =  2.26396767161336 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.6030115452610392
Energy: 1.6060604687137747
Energy: 1.3749083734896477
Energy: 1.603011545257308
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Energy: 1.4078654237228878
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Energy: 1.3749083734896477
Energy: 1.5788240859994775
Energy: 1.3396075103574665
Energy: 1.620250383219798
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Energy: 1.5788240794721808
Energy: 1.5938479619347594
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Energy: 1.7428524709672735
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Energy: 1.742852470963542
Energy: 1.5946337434298041
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Energy: 1.6651415099813751
Energy: 1.1858870959710053
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Energy: 1.397484095181324
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Energy: 1.6800382583669444
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Energy: 1.680038258363213
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Energy: 1.6800382583669444
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Energy: 1.59929368228935
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Energy: 1.6227518242392096
Energy: 1.6069204444357954
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Energy: 1.5992936822856185
Energy: 1.1279114466577456
Energy: 1.5973411811663043
Energy: 1.1857102314096246
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Energy: 1.185710231413356
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Energy: 1.594451245383558
Energy: 1.5973411811625728
Energy: 1.5757958737084623
Energy: 1.700901318987862
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Energy: 1.2729399679863562
Energy: 1.6039867923796607
Energy: 1.3392872412310488
Energy: 1.2729399680050137
Energy: 1.6039867923833924
Energy: 1.3392896139636659
Energy: 1.2729399680460605
Energy: 1.6039867923833924
Energy: 1.3392872412347805
Energy: 1.2729399680460605
Energy: 1.3792751749212628
Energy: 1.6030115452610392
Energy: 1.6060604687137747
Energy: 1.3792855952646197
Energy: 1.6030115452610392
Energy: 1.6060604687137747
Energy: 1.3792751749212628
Energy: 1.6030115452610392
Energy: 1.6060604687137747
Energy: 1.3792855952646197
Energy: 1.5788240777527676
Energy: 1.3396075103574665
Energy: 1.620250383219798
Energy: 1.5788240787709955
Energy: 1.3396075103574665
Energy: 1.620250383219798
Energy: 1.5788240797183926
Energy: 1.3396075103574665
Energy: 1.620250383216067
Energy: 1.578824080848498
Energy: 1.6020745127941671
Energy: 1.713051427297064
Energy: 1.7428524709672735
Energy: 1.6038016622848557
Energy: 1.713051427297064
Energy: 1.742852470963542
Energy: 1.6020745127978984
Energy: 1.7130514273007957
Energy: 1.742852470963542
Energy: 1.6038016622848557
Energy: 1.6315374748277713
Energy: 1.6651415099813751
Energy: 1.1858870959710053
Energy: 1.6315374748240397
Energy: 1.6651415099813751
Energy: 1.1858870959710053
Energy: 1.6315374748315026
Energy: 1.6651415099813751
Energy: 1.1858870959710053
Energy: 1.6315374748277713

minimum gb energy = 1.127528947153247 eV
minimum distance =  2.19606602164597 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.2081529643449098
Energy: 1.2094133028066698
Energy: 1.3549900926524747
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minimum gb energy = 1.2047786747731835 eV
minimum distance =  2.20126380174278 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.529094669511905
Energy: 1.3767530073893512
Energy: 1.5663789690715786
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Energy: 1.5290946695098508
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Energy: 1.5663789690715786
Energy: 1.5876209722172745
Energy: 1.5084576474293803
Energy: 1.4905442707525622
Energy: 1.5876209698519628
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Energy: 1.4905442707525622
Energy: 1.587621260082507
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Energy: 1.5876211467428307
Energy: 1.5108624062960851
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Energy: 1.4472373994141432
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Energy: 1.447237399225238
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Energy: 1.4472373992108591
Energy: 1.5110657765184716
Energy: 1.446267302663603
Energy: 1.3523378958731571
Energy: 1.4462539479987873
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Energy: 1.352337895871103
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Energy: 1.446267302663603
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Energy: 1.6544409329931857
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Energy: 1.3529063684526184
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Energy: 1.4065764541809045
Energy: 1.6329116504320624
Energy: 1.4219498113783797
Energy: 1.4874666280781164
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Energy: 1.4874666280781164
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Energy: 1.4219498113783797
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Energy: 1.6329116499926655
Energy: 1.4658093552927296
Energy: 1.4636185436162683
Energy: 1.4947155107346353
Energy: 1.4658093553810196
Energy: 1.4636185436183224
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Energy: 1.4658093552865672
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Energy: 1.4658093552886213
Energy: 1.5572365307178082
Energy: 1.5573630607875562
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Energy: 1.5572365307178082
Energy: 1.5573630607875562
Energy: 1.369705773804087
Energy: 1.5572365307157914
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Energy: 1.5572365307178082
Energy: 1.5080807304192532
Energy: 1.5202452195168596
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Energy: 1.5080807304192532
Energy: 1.4599078332465605
Energy: 1.4737077109822507
Energy: 1.5750463157168688
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Energy: 1.5750463157168688
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Energy: 1.4599078332465605
Energy: 1.4877848304079075
Energy: 1.5575356143524663
Energy: 1.4025777893732998
Energy: 1.4877848304099615
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Energy: 1.4025777894574816
Energy: 1.5083702140460773
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Energy: 1.482336664403591
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Energy: 1.482336664403591
Energy: 1.3739126899056113
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Energy: 1.4714753854931328
Energy: 1.5244598599980608
Energy: 1.4569975917330171
Energy: 1.4714753854931328
Energy: 1.5244598599980608
Energy: 1.4569975917330171
Energy: 1.4714753854931328
Energy: 1.5244598599960069
Energy: 1.4569975917309632
Energy: 1.471475385495187
Energy: 1.386963721247092
Energy: 1.5027471301992166
Energy: 1.558060313502801
Energy: 1.386963721247092
Energy: 1.5027471302012707
Energy: 1.558060313502801
Energy: 1.3869637212450376
Energy: 1.5027471302033248
Energy: 1.558060313504855
Energy: 1.386963721247092
Energy: 1.4456634250730414
Energy: 1.4722558349772776
Energy: 1.4684959899584311
Energy: 1.4456634250730414
Energy: 1.4722558349772776
Energy: 1.4684959899584311
Energy: 1.4456634250730414
Energy: 1.4722558349772776
Energy: 1.4684959899584311
Energy: 1.4456634250730414
Energy: 1.5533192610400308
Energy: 1.4704602613771154
Energy: 1.5994784882989812
Energy: 1.5533192610400308
Energy: 1.4704602613771154
Energy: 1.5994784882989812
Energy: 1.5533192610400308
Energy: 1.4704602613750615
Energy: 1.5994784882989812
Energy: 1.5533192610400308
Energy: 1.5000572045532068
Energy: 1.4912718395772406
Energy: 1.4048357629646369
Energy: 1.5000572045532068
Energy: 1.4912718395772406
Energy: 1.4048357629646369
Energy: 1.5000572045532068
Energy: 1.4912718395772406
Energy: 1.4048357629625827
Energy: 1.5000572045532068
Energy: 1.4471191697740475
Energy: 1.5151863882809784
Energy: 1.450303781715433
Energy: 1.4471191697740475
Energy: 1.5151863882809784
Energy: 1.4503037817174873
Energy: 1.4471191697740475
Energy: 1.5151863882809784
Energy: 1.4503037817195414
Energy: 1.4471191697740475
Energy: 1.496089467873683
Energy: 1.459700295942141
Energy: 1.5770319119222835
Energy: 1.496089467873683
Energy: 1.459700295942141
Energy: 1.5770319119222835
Energy: 1.496089467873683
Energy: 1.459700295942141
Energy: 1.5770319119222835
Energy: 1.496089467873683
Energy: 1.5289413361244326
Energy: 1.3753582671837352
Energy: 1.5663944892406276
Energy: 1.5289413361244326
Energy: 1.3753582671837352
Energy: 1.5663944892385735
Energy: 1.5289413361264865
Energy: 1.3753582671837352
Energy: 1.5663944892385735
Energy: 1.5289413361244326

minimum gb energy = 1.352337895871103 eV
minimum distance =  2.19280097699125 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3460422922099051
Energy: 1.4513623461237701
Energy: 1.4514116630404381
Energy: 1.3460422922099051
Energy: 1.4513623457607259
Energy: 1.4514116630397331
Energy: 1.3460422922092
Energy: 1.4513623457325182
Energy: 1.4514116630467848
Energy: 1.3460422922092
Energy: 1.5437792616510873
Energy: 1.3452284328466066
Energy: 1.595987527557679
Energy: 1.5437792616503823
Energy: 1.3452284356174244
Energy: 1.595987527543575
Energy: 1.5437792616503823
Energy: 1.3452284355018373
Energy: 1.5959875276014004
Energy: 1.5437792616510873
Energy: 1.3890217132294005
Energy: 1.4185717477053048
Energy: 1.3044394818405336
Energy: 1.389021713230106
Energy: 1.4185717477045996
Energy: 1.3044394821978724
Energy: 1.389021713230106
Energy: 1.4185717477053048
Energy: 1.3044394828950483
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Energy: 1.593222390020563
Energy: 1.6216662107979534
Energy: 1.3636403911419301
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Energy: 1.6216662107979534
Energy: 1.3636403911412247
Energy: 1.593222390021268
Energy: 1.3753031286681385
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Energy: 1.3776004617217357
Energy: 1.375303128667433
Energy: 1.388723008566013
Energy: 1.3776004617217357
Energy: 1.3753031286681385
Energy: 1.388723008566013
Energy: 1.3776004617217357
Energy: 1.375303128666728
Energy: 1.3897116423641906
Energy: 1.6489534413545808
Energy: 1.5957595422474717
Energy: 1.3897116423648956
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Energy: 1.3897116423641906
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Energy: 1.3901698067201949
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Energy: 1.4422307634967944
Energy: 1.436870599426629
Energy: 1.410913949021992
Energy: 1.4422307634960891
Energy: 1.4368705994280395
Energy: 1.4109139484348254
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Energy: 1.436870599425924
Energy: 1.4109139485236153
Energy: 1.4422307634960891
Energy: 1.452042891894202
Energy: 1.4497386862045234
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Energy: 1.452042891894907
Energy: 1.4497386862038184
Energy: 1.390168651821778
Energy: 1.452042891894907
Energy: 1.449738686205934
Energy: 1.390168651821778
Energy: 1.452042891894907
Energy: 1.3896915911906662
Energy: 1.5951748179099106
Energy: 1.648519208378668
Energy: 1.3896915911906662
Energy: 1.5951748179106158
Energy: 1.648519208378668
Energy: 1.3896915911899612
Energy: 1.5951748179099106
Energy: 1.648519208378668
Energy: 1.3896915911899612
Energy: 1.3754539476119194
Energy: 1.3775436633692641
Energy: 1.3887186947137968
Energy: 1.3754539476119194
Energy: 1.377543663368559
Energy: 1.3887186947137968
Energy: 1.3754539476119194
Energy: 1.3775436633692641
Energy: 1.3887186947137968
Energy: 1.3754539476112144
Energy: 1.5928759741143956
Energy: 1.3636288082812245
Energy: 1.6219953629771613
Energy: 1.5928759741136906
Energy: 1.3636288082812245
Energy: 1.6219953628615744
Energy: 1.5928759741143956
Energy: 1.3636288082812245
Energy: 1.6219953629701096
Energy: 1.5928759741143956
Energy: 1.3889449459279892
Energy: 1.3042210616526015
Energy: 1.4185363609723876
Energy: 1.3889449459286944
Energy: 1.3042210617653678
Energy: 1.4185363609723876
Energy: 1.3889449459286944
Energy: 1.3042210616321512
Energy: 1.418536360973093
Energy: 1.3889449459286944
Energy: 1.5440053474533348
Energy: 1.596366822672162
Energy: 1.3456134814232699
Energy: 1.5440053474526296
Energy: 1.596366822672162
Energy: 1.3456134814705174
Energy: 1.5440053474526296
Energy: 1.5963668226700463
Energy: 1.3456134814176282
Energy: 1.5440053474526296
Energy: 1.3460422922099051
Energy: 1.4513623457275822
Energy: 1.4514116630404381
Energy: 1.3460422922099051
Energy: 1.4513623457289926
Energy: 1.4514116630404381
Energy: 1.3460422922099051
Energy: 1.4513623457515585
Energy: 1.4514116631165987
Energy: 1.3460422922092

minimum gb energy = 1.3042210616321512 eV
minimum distance =  2.26217110180773 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.562862665073426
Energy: 1.3106164284203796
Energy: 1.3134259398091488
Energy: 1.4385369963461963
Energy: 1.3106164284231157
Energy: 1.3134259398064125
Energy: 1.5628626650707398
Energy: 1.3106164284231157
Energy: 1.3134259398036765
Energy: 1.4385369963461963
Energy: 1.6223875886598331
Energy: 1.205373818944886
Energy: 1.367074799833439
Energy: 1.6223875886598331
Energy: 1.205373818944886
Energy: 1.3670747998361752
Energy: 1.6223875886598331
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Energy: 1.3670747998361752
Energy: 1.622387588662569
Energy: 1.394814705051885
Energy: 1.2599564026201604
Energy: 1.3642091366928812
Energy: 1.394168956130057
Energy: 1.2599564026201604
Energy: 1.3556114079775063
Energy: 1.4211342645628264
Energy: 1.2599564026228962
Energy: 1.3557107573407168
Energy: 1.4148123504807997
Energy: 1.2181437511793396
Energy: 1.2196104086629795
Energy: 1.3008908137336341
Energy: 1.2181437506050619
Energy: 1.219610408684868
Energy: 1.3009244695640376
Energy: 1.2181437509933857
Energy: 1.2196104086602433
Energy: 1.3008908137336341
Energy: 1.218143750449155
Energy: 1.2468435778987794
Energy: 1.362351244063532
Energy: 1.3042404152105311
Energy: 1.2468435778987794
Energy: 1.362351244063532
Energy: 1.3045624628445065
Energy: 1.2468435778987794
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Energy: 1.3042404152105311
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Energy: 1.2730419118179168
Energy: 1.504737787352234
Energy: 1.3483342805509175
Energy: 1.2730419118206033
Energy: 1.50473778735497
Energy: 1.3483342805481815
Energy: 1.2730419118206033
Energy: 1.5047377873577064
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Energy: 1.2730419118206033
Energy: 1.4001883841523777
Energy: 1.208414674066112
Energy: 1.3217517500397686
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Energy: 1.2084146740633759
Energy: 1.3217517500397686
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Energy: 1.3836092671714062
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Energy: 1.1903686497633528
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Energy: 1.3836092671768785
Energy: 1.1903828350422674
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Energy: 1.3836092671768785
Energy: 1.3468164050288234
Energy: 1.4928862622912076
Energy: 1.492484373997972
Energy: 1.3468164050288234
Energy: 1.4928862622884715
Energy: 1.520247186247769
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Energy: 1.492484373995236
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Energy: 1.2578602652538866
Energy: 1.3469608406417635
Energy: 1.2638425293144904
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Energy: 1.3205482397940502
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Energy: 1.3469608406417635
Energy: 1.2638425293172266
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Energy: 1.2292686182520713
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Energy: 1.2619219173040048
Energy: 1.3702730184527219
Energy: 1.2924162707877926
Energy: 1.2619219173040048
Energy: 1.375977028855767
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Energy: 1.3702730184499858
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Energy: 1.2619219173040048
Energy: 1.417529247826611
Energy: 1.2656886123755144
Energy: 1.4364250666205916
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Energy: 1.2581631497895964
Energy: 1.3856466936629461
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Energy: 1.3856466936602103
Energy: 1.4622097424530236
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Energy: 1.2581631497895964
Energy: 1.2462811105841378
Energy: 1.3294398519502837
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Energy: 1.3294398519475479
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Energy: 1.2835234180836907
Energy: 1.3182918113297215
Energy: 1.3340819278213563
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Energy: 1.2864739136766539
Energy: 1.283523418160301
Energy: 1.3182918113297215
Energy: 1.3340819278186202
Energy: 1.5096908069432824
Energy: 1.3275288982420475
Energy: 1.2508281676426796
Energy: 1.5096908069460184
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Energy: 1.5096908069460184
Energy: 1.3275288982447835
Energy: 1.2508281676344712
Energy: 1.5096908069432824
Energy: 1.430831659838631
Energy: 1.3694189941558794
Energy: 1.3587134642897838
Energy: 1.3730756173428118
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Energy: 1.3587134642870478
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Energy: 1.3730756173455478
Energy: 1.2648161967002078
Energy: 1.3106317008154007
Energy: 1.313603676173911
Energy: 1.2650735863516758
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Energy: 1.313603676179383
Energy: 1.2648161967029439
Energy: 1.3106317008071924
Energy: 1.3136036761821193
Energy: 1.2650735863516758
Energy: 1.5299439595836666
Energy: 1.2654684345405538
Energy: 1.3981535719206186
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Energy: 1.3981535719206186
Energy: 1.5299439595809305
Energy: 1.26546843454329
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Energy: 1.5299439595809305
Energy: 1.276434984742021
Energy: 1.4609390950789891
Energy: 1.332229627797666
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Energy: 1.332229627797666
Energy: 1.276434984742021
Energy: 1.2887733472628382
Energy: 1.289320240704829
Energy: 1.2298774767474974
Energy: 1.2887733472655742
Energy: 1.289320240704829
Energy: 1.2298774767447611
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Energy: 1.289320240704829
Energy: 1.2298774767447611
Energy: 1.2887733472628382
Energy: 1.3015544796802265
Energy: 1.3072158568852805
Energy: 1.2594548748182706
Energy: 1.3015544796829628
Energy: 1.3072158568852805
Energy: 1.2594548748210066
Energy: 1.3015544796829628
Energy: 1.3072158568852805
Energy: 1.2594548748210066
Energy: 1.3015544796802265
Energy: 1.5572614064161077
Energy: 1.3839410032061246
Energy: 1.348806745612202
Energy: 1.4496589925338355
Energy: 1.3839410032006525
Energy: 1.3488067456149382
Energy: 1.5572614064161077
Energy: 1.3839410032006525
Energy: 1.3488067456149382
Energy: 1.4496589925283634
Energy: 1.492404031079808
Energy: 1.2077414807860352
Energy: 1.3606560985768972
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Energy: 1.2077414807860352
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Energy: 1.3019031391970544
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Energy: 1.2488012727116118
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Energy: 1.3841355337415477
Energy: 1.4963274110165001
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Energy: 1.302253051601808
Energy: 1.272478923706103
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Energy: 1.2152436926681807
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Energy: 1.2992321387712746
Energy: 1.3503567775345047
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Energy: 1.2992321387658023
Energy: 1.3503567775372407
Energy: 1.2998015345065268
Energy: 1.2992321387658023
Energy: 1.4080846626831216
Energy: 1.205077555416062
Energy: 1.3939188020934905
Energy: 1.4080846626831216
Energy: 1.2050775554187982
Energy: 1.3939188020962268
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Energy: 1.2050775554187982
Energy: 1.3939188020989628
Energy: 1.4080846626831216
Energy: 1.3123285307280783
Energy: 1.3108209270904687
Energy: 1.4812838234789891
Energy: 1.3123285307308143
Energy: 1.3108209270904687
Energy: 1.5231695468236528
Energy: 1.3123285307308143
Energy: 1.3108209270932047
Energy: 1.4812838234817252
Energy: 1.3123285307280783
Energy: 1.2057456488636524
Energy: 1.3649728594698352
Energy: 1.251666407066845
Energy: 1.2057456488609162
Energy: 1.3696889813583206
Energy: 1.277653090057731
Energy: 1.2057456488609162
Energy: 1.3649728594698352
Energy: 1.251666407069581
Energy: 1.2057456488636524
Energy: 1.2594926010651972
Energy: 1.289307921931445
Energy: 1.2888645636502705
Energy: 1.2594926010651972
Energy: 1.2891760494714626
Energy: 1.2885831687824199
Energy: 1.2594926010651972
Energy: 1.2893079219341812
Energy: 1.2888645636502705
Energy: 1.2594926010651972
Energy: 1.2253481982821295
Energy: 1.3001979390277036
Energy: 1.2179098151881493
Energy: 1.2253481982848655
Energy: 1.2496727518659583
Energy: 1.2179098146931677
Energy: 1.2253481982848655
Energy: 1.3001979390277036
Energy: 1.2179098135746098
Energy: 1.2253481982821295
Energy: 1.3630366987286135
Energy: 1.2713990282837762
Energy: 1.2644940775386506
Energy: 1.3630366987313496
Energy: 1.2717350816775501
Energy: 1.2644940775386506
Energy: 1.3630366987313496
Energy: 1.2713990282837762
Energy: 1.2644940775413869
Energy: 1.3630366987286135
Energy: 1.5117192086274327
Energy: 1.3478938030510783
Energy: 1.2688476025608042
Energy: 1.5117192086274327
Energy: 1.3478938030510783
Energy: 1.2688476025608042
Energy: 1.5117192086246967
Energy: 1.3478938030510783
Energy: 1.2688476025608042
Energy: 1.5117192086246967

minimum gb energy = 1.1903686497633528 eV
minimum distance =  2.19258032140017 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.0934455397402527
Energy: 0.7102516868254061
Energy: 0.7099216327983036
Energy: 0.6614329779356564
Energy: 0.7102516868254061
Energy: 0.7099216327983036
Energy: 1.0934455397411973
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Energy: 0.7099216327980084
Energy: 0.6614329779359516
Energy: 0.9470533655760142
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Energy: 0.7150721522022839
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Energy: 0.8215416998722982
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Energy: 0.813052826979945
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Energy: 0.7105257904937319
Energy: 0.9015391173616328
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Energy: 0.715700467600623
Energy: 0.9022897047452338
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Energy: 0.8877715467657902
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Energy: 0.9022897047452338
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Energy: 0.7099216327983036
Energy: 0.7644395785262285
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Energy: 0.7160226585473701
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Energy: 0.8290513468846527
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Energy: 0.9018856832034269
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Energy: 0.7105257904940271
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Energy: 0.7370575385967171
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Energy: 0.7370575385957722
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Energy: 0.7689623538766956
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Energy: 1.0273120561507063
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Energy: 0.8634345710769123
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Energy: 0.7102763199191809
Energy: 0.897625897105993
Energy: 1.0273120561497615
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Energy: 0.6988055302113931
Energy: 1.0019443921170068
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Energy: 0.698805530210094
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Energy: 1.0019443921176565
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Energy: 0.8715094332898992
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Energy: 0.7105257904930823
Energy: 0.8290513468824088
Energy: 1.0136230286914114
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Energy: 0.7101410988873982
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Energy: 0.765223519335104
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Energy: 0.7235939535892872
Energy: 0.7101410988893468
Energy: 0.7370575385951227
Energy: 0.7652235193361079
Energy: 0.7101410988871029
Energy: 1.0150752628339255
Energy: 0.9875766358654547
Energy: 0.8660646386800721
Energy: 1.0150752628345752
Energy: 0.926034059569159
Energy: 0.8976039241671484
Energy: 1.0150752628329804
Energy: 0.987576635856656
Energy: 0.8660646386794225
Energy: 1.0150752628297328
Energy: 0.710276319919476
Energy: 0.863543605988007
Energy: 1.0273120561507063
Energy: 0.7102763199191809
Energy: 0.9001723444550396
Energy: 1.0273120561507063
Energy: 0.7102763199201256
Energy: 0.8635436059896605
Energy: 1.0273120561497615
Energy: 0.7102763199198304
Energy: 1.0019443921176565
Energy: 0.8111180512656241
Energy: 0.6988055302117474
Energy: 1.0019443921170068
Energy: 0.7690723332569096
Energy: 0.698805530210094
Energy: 1.0019443921176565
Energy: 0.8111180512695215
Energy: 0.6988055302113931
Energy: 1.0019443921170068
Energy: 0.7909638607117179
Energy: 0.9439804193859708
Energy: 0.7098127187472721
Energy: 0.8715094332892497
Energy: 0.9058331145792625
Energy: 0.7098127187459731
Energy: 0.7909638607117179
Energy: 0.9439804193859708
Energy: 0.7098127187436699
Energy: 0.8715094332892497
Energy: 0.768935282719678
Energy: 0.7503527862618031
Energy: 0.698730219331413
Energy: 0.7157004675999735
Energy: 0.7138163799211142
Energy: 0.6987302193307635
Energy: 0.7689352827190284
Energy: 0.7503527862637519
Energy: 0.698730219331413
Energy: 0.7157004676002687
Energy: 0.9022897047452338
Energy: 1.0256185346996938
Energy: 0.7375759252188144
Energy: 0.8877715467660855
Energy: 1.025618534700993
Energy: 0.7375759252178103
Energy: 0.9022897047449386
Energy: 1.0256185347019378
Energy: 0.7375759252181648
Energy: 0.8877715467660855

minimum gb energy = 0.6614329779356564 eV
minimum distance =  2.31884612385342 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.233218842766789
Energy: 1.2680385547012434
Energy: 1.2556813723831455
Energy: 1.2079631628644767
Energy: 1.2680385547030264
Energy: 1.2556813723831455
Energy: 1.233218842765006
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Energy: 1.2556813723831455
Energy: 1.207963162862694
Energy: 1.2647154289539477
Energy: 1.2028503090821976
Energy: 1.2394501306381949
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Energy: 1.2394501306399779
Energy: 1.2647154289539477
Energy: 1.2461104964916063
Energy: 1.1812929515971318
Energy: 1.2343271679046584
Energy: 1.268934233184053
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Energy: 1.3077521541303618
Energy: 1.3073236101666734
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Energy: 1.1788732295034792
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Energy: 1.2434032483644857
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Energy: 1.2433355064392215
Energy: 1.327488260301501
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Energy: 1.1808730934209304
Energy: 1.2005688163231274
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Energy: 1.2006690046757806
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Energy: 1.2075839763760925
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Energy: 1.2256103176977906
Energy: 1.2605279519836645
Energy: 1.1944650753090782
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Energy: 1.1944650753072952
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Energy: 1.1944650753055122
Energy: 1.2256103176977906
Energy: 1.2305600050377274
Energy: 1.3177453550449345
Energy: 1.1900190832561046
Energy: 1.2305600050341614
Energy: 1.3177453550449345
Energy: 1.1900190832561046
Energy: 1.2305600050359444
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Energy: 1.1914907917101363
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Energy: 1.2873398056283558
Energy: 1.3335863636522793
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Energy: 1.3335863636504963
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Energy: 1.2873398056265728
Energy: 1.3335863636504963
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Energy: 1.268090524034237
Energy: 1.194741221213479
Energy: 1.1989212190684901
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Energy: 1.194741221211696
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Energy: 1.268090524034237
Energy: 1.194741221209913
Energy: 1.1989212190702732
Energy: 1.268090524034237
Energy: 1.2273882132399654
Energy: 1.2779744200352936
Energy: 1.237692125088963
Energy: 1.2273882132399654
Energy: 1.2779744200352936
Energy: 1.23769212508718
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Energy: 1.2779744200370766
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Energy: 1.250188551182576
Energy: 1.1747657197999917
Energy: 1.34036155494795
Energy: 1.2501885511843591
Energy: 1.1747657197999917

minimum gb energy = 1.1260946105453538 eV
minimum distance =  2.20242137831547 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.3845761066916853
Energy: 1.5374599578386963
Energy: 1.5373375826929847
Energy: 1.3845761066916853
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Energy: 1.4210242812721479
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Energy: 1.4031299583024153
Energy: 1.3840434055191595
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Energy: 1.403129958301235
Energy: 1.3840431795831287
Energy: 1.3836217463084848
Energy: 1.7567155354651065
Energy: 1.5374052542489534
Energy: 1.3836217463073048
Energy: 1.7567155354639266
Energy: 1.5374052542489534
Energy: 1.3836217463084848
Energy: 1.7567155354639266
Energy: 1.5374052542489534
Energy: 1.3836217463073048
Energy: 1.4632847346853035
Energy: 1.4722518718392124
Energy: 1.538782993141104
Energy: 1.4632847346853035
Energy: 1.4722518718392124
Energy: 1.538782993141104
Energy: 1.4632847346853035
Energy: 1.4722518718392124
Energy: 1.538782993141104
Energy: 1.4632847346853035

minimum gb energy = 1.3836217463073048 eV
minimum distance =  2.24451976048188 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.6912354609350653
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Energy: 1.6105675635004102
Energy: 1.5467482979618337
Energy: 1.645376650678339
Energy: 1.7585577069911322
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minimum gb energy = 1.5248896023922147 eV
minimum distance =  2.17439226410744 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.5124114406061044
Energy: 1.5901813652685355
Energy: 1.5355631971333619
Energy: 1.5298031640157488
Energy: 1.5175949413735492
Energy: 1.5355631971333619
Energy: 1.5298031640157488
Energy: 1.5175949413735492
Energy: 1.5355631971333619
Energy: 1.5298031640157488
Energy: 1.5175949413735492
Energy: 1.5355631971333619
Energy: 1.605843575508821
Energy: 1.6383748927244497
Energy: 1.539815618496172
Energy: 1.6058435755114864
Energy: 1.6383748927244497
Energy: 1.539815618496172
Energy: 1.605843575508821
Energy: 1.6383748927244497
Energy: 1.539815618496172
Energy: 1.605843575508821
Energy: 1.5432083081428194
Energy: 1.5747432805103114
Energy: 1.5748597253642242
Energy: 1.5432083081428194
Energy: 1.5747432805103114
Energy: 1.574859725361559
Energy: 1.5432083081428194
Energy: 1.5747432805129769
Energy: 1.574859725361559
Energy: 1.5432083081428194
Energy: 1.605903738133342
Energy: 1.5398511258036989
Energy: 1.6386324214071364
Energy: 1.605903738133342
Energy: 1.5398511258036989
Energy: 1.6386324214071364
Energy: 1.605903738133342
Energy: 1.5398511258036989
Energy: 1.6386324214071364
Energy: 1.605903738133342
Energy: 1.5353299804850762
Energy: 1.5175589393433526
Energy: 1.5297698578851298
Energy: 1.5353299804850762
Energy: 1.5175589393406872
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Energy: 1.5353299804850762
Energy: 1.5175589393406872
Energy: 1.5297698578851298
Energy: 1.5353299804850762
Energy: 1.590254680343823
Energy: 1.5119002741752983
Energy: 1.5740719103882113
Energy: 1.590254680343823
Energy: 1.5119002741752983
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Energy: 1.590254680343823
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Energy: 1.590254680343823
Energy: 1.7342093689649354
Energy: 1.5113099593324757
Energy: 1.5205643443484291
Energy: 1.73420936896227
Energy: 1.5113099593298103
Energy: 1.5205643443484291
Energy: 1.7342093689649354
Energy: 1.5113099593298103
Energy: 1.5205643443484291
Energy: 1.7342093689649354
Energy: 1.6411389974118133
Energy: 1.6421384154162308
Energy: 1.664776499424417
Energy: 1.6411389974118133
Energy: 1.6421384154162308
Energy: 1.664776499424417
Energy: 1.6411389974118133
Energy: 1.6421384154188963
Energy: 1.664776499424417
Energy: 1.6411389974118133
Energy: 1.5113580628547023
Energy: 1.705732761588908
Energy: 1.527468522428101
Energy: 1.5113580628547023
Energy: 1.7057327615862428
Energy: 1.527468522430766
Energy: 1.511358062852037
Energy: 1.7057327615862428
Energy: 1.527468522430766
Energy: 1.5113580628547023
Energy: 1.707467928361236
Energy: 1.5780024578675833
Energy: 1.5782037883705244
Energy: 1.707467928361236
Energy: 1.5780024578675833
Energy: 1.5782037883705244
Energy: 1.707467928361236
Energy: 1.5780024578675833
Energy: 1.5782037883705244
Energy: 1.707467928361236
Energy: 1.5131202276817581
Energy: 1.6936435319552405
Energy: 1.7053950864674536
Energy: 1.5131202276817581
Energy: 1.6936435319552405
Energy: 1.7053950864674536
Energy: 1.5131202276817581
Energy: 1.6936435319525749
Energy: 1.7053950864674536
Energy: 1.5131202276817581
Energy: 1.6285383786946963
Energy: 1.6648157739338325
Energy: 1.6420853395996833
Energy: 1.628538378692031
Energy: 1.6648157739338325
Energy: 1.6420853395996833
Energy: 1.6285383786946963
Energy: 1.6648157739338325
Energy: 1.6420853395996833
Energy: 1.6285383786946963
Energy: 1.7343645779508823
Energy: 1.5206901386604939
Energy: 1.5114453182700665
Energy: 1.7343645779508823
Energy: 1.5206901386604939
Energy: 1.5114453182700665
Energy: 1.7343645779508823
Energy: 1.5206901386578284
Energy: 1.5114453182700665
Energy: 1.7343645779508823
Energy: 1.59018136526587
Energy: 1.5727488188706469
Energy: 1.5124114406034395
Energy: 1.5901813652685355
Energy: 1.5727488188706469
Energy: 1.5124114406061044
Energy: 1.5901813652685355
Energy: 1.5727488188706469
Energy: 1.5124114406034395
Energy: 1.5901813652685355

minimum gb energy = 1.5113099593298103 eV
minimum distance =  2.1805102952777 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.5216042028364776
Energy: 1.5227728905576523
Energy: 1.5225948239273535
Energy: 1.5216042028364776
Energy: 1.5227728905571705
Energy: 1.522594823928317
Energy: 1.5216042028369592
Energy: 1.5227728905576523
Energy: 1.5225948239278353
Energy: 1.5216042028364776
Energy: 1.5200568711050613
Energy: 1.5221159864944493
Energy: 1.52229259929441
Energy: 1.5200568711040978
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711040978
Energy: 1.5221159864954128
Energy: 1.5222925992953735
Energy: 1.5200568711045797
Energy: 1.520257058271323
Energy: 1.5202544353444318
Energy: 1.6026594775546126
Energy: 1.520257058271323
Energy: 1.5202544353434684
Energy: 1.602695760877301
Energy: 1.520257058271323
Energy: 1.5202544353444318
Energy: 1.6026383428873405
Energy: 1.520257058271323
Energy: 1.6026645916523758
Energy: 1.520345566479466
Energy: 1.5202081628590953
Energy: 1.6026749698975011
Energy: 1.520345566479466
Energy: 1.5202081628590953
Energy: 1.6026502611090516
Energy: 1.5203455664799477
Energy: 1.5202081628600588
Energy: 1.6026229994036367
Energy: 1.5222774808867685
Energy: 1.5219860165556118
Energy: 1.5201820249250808
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Energy: 1.5219860165560937
Energy: 1.5201820249265259
Energy: 1.522277480887732
Energy: 1.5219860165556118
Energy: 1.520182024926044
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Energy: 1.522772890558134
Energy: 1.5225948239278353
Energy: 1.5216042028369592
Energy: 1.5227728905571705
Energy: 1.5225948239278353
Energy: 1.5216042028364776
Energy: 1.5227728905571705
Energy: 1.5225948239268718
Energy: 1.5216042028364776
Energy: 1.522772890558134
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711045797
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711040978
Energy: 1.5221159864944493
Energy: 1.5222925992948917
Energy: 1.5200568711040978
Energy: 1.5221159864944493
Energy: 1.5202544353439502
Energy: 1.6027057359235912
Energy: 1.520257058271323
Energy: 1.5202544353439502
Energy: 1.6026224364501902
Energy: 1.520257058271323
Energy: 1.5202544353439502
Energy: 1.6026748784853082
Energy: 1.520257058271323
Energy: 1.5202544353444318
Energy: 1.5203455664799477
Energy: 1.520208162859577
Energy: 1.602674523618842
Energy: 1.520345566479466
Energy: 1.5202081628590953
Energy: 1.6026782274365725
Energy: 1.5203455664799477
Energy: 1.5202081628586135
Energy: 1.602689479370156
Energy: 1.5203455664799477
Energy: 1.5219860165556118
Energy: 1.5201820249255626
Energy: 1.5222774808872503
Energy: 1.5219860165556118
Energy: 1.5201820249270077
Energy: 1.5222774808867685
Energy: 1.5219860165556118
Energy: 1.5201820249250808
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Energy: 1.5219860165560937
Energy: 1.522594823928317
Energy: 1.5216042028364776
Energy: 1.5227728905576523
Energy: 1.5225948239273535
Energy: 1.5216042028364776
Energy: 1.522772890558134
Energy: 1.5225948239278353
Energy: 1.5216042028364776
Energy: 1.5227728905571705
Energy: 1.5225948239273535
Energy: 1.5222925992953735
Energy: 1.5200568711031344
Energy: 1.522115986494931
Energy: 1.5222925992953735
Energy: 1.5200568711026525
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711040978
Energy: 1.522115986494931
Energy: 1.52229259929441
Energy: 1.602687613834924
Energy: 1.520257058271323
Energy: 1.5202544353444318
Energy: 1.602659849957676
Energy: 1.520257058271805
Energy: 1.5202544353439502
Energy: 1.6026702706947327
Energy: 1.5202570582708415
Energy: 1.5202544353434684
Energy: 1.6026976146070633
Energy: 1.5202081628586135
Energy: 1.6026605548826631
Energy: 1.520345566479466
Energy: 1.5202081628581319
Energy: 1.602671291017762
Energy: 1.5203455664804295
Energy: 1.5202081628590953
Energy: 1.6026517183490305
Energy: 1.520345566479466
Energy: 1.5202081628586135
Energy: 1.5201820249274893
Energy: 1.522277480887732
Energy: 1.5219860165556118
Energy: 1.520182024926044
Energy: 1.522277480887732
Energy: 1.5219860165556118
Energy: 1.5201820249255626
Energy: 1.5222774808872503
Energy: 1.5219860165556118
Energy: 1.5201820249255626
Energy: 1.5216042028369592
Energy: 1.5227728905576523
Energy: 1.5225948239268718
Energy: 1.5216042028369592
Energy: 1.5227728905571705
Energy: 1.5225948239268718
Energy: 1.5216042028369592
Energy: 1.5227728905571705
Energy: 1.5225948239278353
Energy: 1.5216042028364776
Energy: 1.5200568711040978
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711036162
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711045797
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711040978
Energy: 1.520257058271323
Energy: 1.5202544353453953
Energy: 1.6026964952883065
Energy: 1.520257058271323
Energy: 1.5202544353434684
Energy: 1.6026845408320227
Energy: 1.5202570582708415
Energy: 1.5202544353434684
Energy: 1.6026886468114103
Energy: 1.520257058271323
Energy: 1.60267369853813
Energy: 1.5203455664804295
Energy: 1.5202081628586135
Energy: 1.6026623390541048
Energy: 1.5203455664789842
Energy: 1.5202081628590953
Energy: 1.6026671851000365
Energy: 1.520345566481393
Energy: 1.5202081628586135
Energy: 1.6026801694592423
Energy: 1.5222774808872503
Energy: 1.5219860165556118
Energy: 1.520182024926044
Energy: 1.5222774808872503
Energy: 1.5219860165556118
Energy: 1.520182024926044
Energy: 1.5222774808867685
Energy: 1.5219860165556118
Energy: 1.520182024926044
Energy: 1.522277480887732
Energy: 1.5227728905576523
Energy: 1.522594823928317
Energy: 1.5216042028369592
Energy: 1.522772890558134
Energy: 1.5225948239278353
Energy: 1.5216042028369592
Energy: 1.5227728905576523
Energy: 1.5225948239273535
Energy: 1.5216042028364776
Energy: 1.522772890558134
Energy: 1.5221159864944493
Energy: 1.522292599296337
Energy: 1.5200568711045797
Energy: 1.5221159864954128
Energy: 1.5222925992948917
Energy: 1.5200568711031344
Energy: 1.522115986494931
Energy: 1.5222925992948917
Energy: 1.5200568711045797
Energy: 1.522115986494931

minimum gb energy = 1.5200568711026525 eV
minimum distance =  2.26324033519985 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.6239944826721135
Energy: 1.5914385509448385
Energy: 1.6584829488447241
Energy: 1.6004836007631593
Energy: 1.5914385509448385
Energy: 1.6584829488469077
Energy: 1.62399448266993
Energy: 1.5914385509470221
Energy: 1.6584829488425403
Energy: 1.6004836007631593
Energy: 1.5323044567904183
Energy: 1.5352571754882012
Energy: 1.495484368196052
Energy: 1.5323044567882342
Energy: 1.5352571754903852
Energy: 1.495484368196052
Energy: 1.5323044567882342
Energy: 1.5352571754882012
Energy: 1.4954843681982355
Energy: 1.5323044567926019
Energy: 1.558221100542524
Energy: 1.6060190479946013
Energy: 1.7606994687707158
Energy: 1.5582211005403404
Energy: 1.6060190479946013
Energy: 1.7606994687685322
Energy: 1.558221100542524
Energy: 1.6060190479924177
Energy: 1.7606994687685322
Energy: 1.558221100544708
Energy: 1.4972338840372457
Energy: 1.606106408974434
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Energy: 1.4972338840372457
Energy: 1.6061064089766177
Energy: 1.4864445236502049
Energy: 1.4972338840394293
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Energy: 1.5480150835219093
Energy: 1.5346938623378596
Energy: 1.7092067659478976
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Energy: 1.563791441342324
Energy: 1.6129872980403397
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Energy: 1.623161184541263
Energy: 1.6802166957090487
Energy: 1.5357025493164922
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Energy: 1.602422643345664
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Energy: 1.5856560676617066
Energy: 1.5836283702434775
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Energy: 1.5856560676638902
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Energy: 1.9195546972871178
Energy: 1.5856560676617066
Energy: 1.5836283702456215
Energy: 1.9195546972871178
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Energy: 1.7217544256698532
Energy: 1.6153017371141856
Energy: 1.5143513731784928
Energy: 1.7217544256043422
Energy: 1.6153017371120018
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Energy: 1.721754425626179
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Energy: 1.6302323567270598
Energy: 1.4837588185963047
Energy: 1.5873906027684477
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Energy: 1.4979766163579968
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Energy: 1.4979773698395582
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Energy: 1.671693463874552
Energy: 1.4979766163579968
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Energy: 1.671693463874552
Energy: 1.6505600865125676
Energy: 1.485250311066754
Energy: 1.5935668562336338
Energy: 1.6505600865103838
Energy: 1.485250311068938
Energy: 1.5935668562358174
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Energy: 1.485250311068938
Energy: 1.5935668562380012
Energy: 1.6505600865125676
Energy: 1.4851494605999227
Energy: 1.4990575830620234
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Energy: 1.690743326770025
Energy: 1.4851494605999227
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Energy: 1.6186639962032479
Energy: 1.7364533140517682
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Energy: 1.7506447750052903
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Energy: 1.7506447750096574
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Energy: 1.7819726160471598
Energy: 1.6515204536299255
Energy: 1.5618434966986456
Energy: 1.781972616044976
Energy: 1.651520453632109
Energy: 1.5618431490155182
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Energy: 1.5618434967008292
Energy: 1.6450937291601033
Energy: 1.528765727597937
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Energy: 1.8103181714454464
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Energy: 1.5601211350600213
Energy: 1.5359825480565674
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Energy: 1.5601211350600213
Energy: 1.5359825480565674
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Energy: 1.7276961722960684
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Energy: 1.647768628206641
Energy: 1.6305449405076686
Energy: 1.6117292641783079
Energy: 1.5947420265345302
Energy: 1.630546094573062
Energy: 1.6117430543436855
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Energy: 1.5947420265323464
Energy: 1.6305460945774297
Energy: 1.494221049305631
Energy: 1.6176147386257078
Energy: 1.501396477265818
Energy: 1.494221049305631
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Energy: 1.6176147386257078
Energy: 1.5013964772701853
Energy: 1.4942210493099586
Energy: 1.5556166287656217
Energy: 1.5671631706905138
Energy: 1.6335515980634812
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Energy: 1.5671631706926976
Energy: 1.6335515980634812
Energy: 1.5556166287656217
Energy: 1.5671631706883302
Energy: 1.6335515980634812
Energy: 1.5556166287678055
Energy: 1.521932492127029
Energy: 1.6783177143885188
Energy: 1.6221849568275488
Energy: 1.5219313733498678
Energy: 1.6783177143885188
Energy: 1.59763224744036
Energy: 1.5219324921313964
Energy: 1.6783177143885188
Energy: 1.6221849568297326
Energy: 1.521931373347684
Energy: 1.5525310338097729
Energy: 1.4742121354476272
Energy: 1.5861505703692271
Energy: 1.552531033811917
Energy: 1.4742121354476272
Energy: 1.5861505703670435
Energy: 1.552531033811917
Energy: 1.4742121354476272
Energy: 1.5861505703648597
Energy: 1.552531033811917
Energy: 1.7881075774428887
Energy: 1.6821552408411082
Energy: 1.7791176138212743
Energy: 1.7881075774428887
Energy: 1.6821552408454759
Energy: 1.7791176138212743
Energy: 1.7881075774428887
Energy: 1.682155240843292
Energy: 1.7791176138256417
Energy: 1.7881075774428887
Energy: 1.6066212662541035
Energy: 1.4848910841350353
Energy: 1.5434897376411003
Energy: 1.6076551172363693
Energy: 1.4848758244491684
Energy: 1.5434897376411003
Energy: 1.6066212662541035
Energy: 1.4848910841328518
Energy: 1.5434897376411003
Energy: 1.607655117232002
Energy: 1.5163593672432356
Energy: 1.5160519055409654
Energy: 1.6281293538046906
Energy: 1.5163593672432356
Energy: 1.5160519055387816
Energy: 1.6281293538046906
Energy: 1.5163593672366849
Energy: 1.5160519055387816
Energy: 1.6281293538046906
Energy: 1.516359367241052
Energy: 1.690705716210141
Energy: 1.6403600307158344
Energy: 1.5110360607706361
Energy: 1.690705716210141
Energy: 1.640360030711467
Energy: 1.5102641547048592
Energy: 1.690705716210141
Energy: 1.6403600307136508
Energy: 1.5110360607706361
Energy: 1.690705716210141
Energy: 1.4832735456219153
Energy: 1.6457776726844577
Energy: 1.7041629804971794
Energy: 1.4832735456219153
Energy: 1.6457776726822742
Energy: 1.7041629804971794
Energy: 1.4832735456219153
Energy: 1.6457776726822742
Energy: 1.7041629804971794
Energy: 1.4832735456219153
Energy: 1.6262539723822638
Energy: 1.6590409008111702
Energy: 1.5536435326612184
Energy: 1.6030887620496665
Energy: 1.6590409008133538
Energy: 1.5536435326590343
Energy: 1.6262539723844476
Energy: 1.6590409008111702
Energy: 1.5536435326568507
Energy: 1.6030887620474827
Energy: 1.624389461490719
Energy: 1.7257614380570312
Energy: 1.6545543093113353
Energy: 1.6016025391165414
Energy: 1.7257614380570312
Energy: 1.6502787163793269
Energy: 1.6243894614885355
Energy: 1.7257614380526636
Energy: 1.6545543093178863
Energy: 1.6016025391165414
Energy: 1.4957513971381993
Energy: 1.897404868696352
Energy: 1.6261661633599582
Energy: 1.495751397140383
Energy: 1.8974048686941685
Energy: 1.6261661633577746
Energy: 1.4957513971381993
Energy: 1.8974048686941685
Energy: 1.6261661633577746
Energy: 1.4957513971338317
Energy: 1.5749482848859047
Energy: 1.5112898028462818
Energy: 1.7005121459207049
Energy: 1.5749482848291683
Energy: 1.5112898028462818
Energy: 1.7005121459207049
Energy: 1.5749482849295788
Energy: 1.5112898028462818
Energy: 1.7005121459228885
Energy: 1.5749482849753969
Energy: 1.6141877597031924
Energy: 1.6734938222674784
Energy: 1.5042059515254058
Energy: 1.6141877597010086
Energy: 1.6734938222674784
Energy: 1.5041421153391652
Energy: 1.6141877597010086
Energy: 1.6734938222674784
Energy: 1.5042059515232222
Energy: 1.6141877597031924
Energy: 1.716453919467202
Energy: 1.5845043811747272
Energy: 1.4986523293779699
Energy: 1.716453919467202
Energy: 1.5845043811747272
Energy: 1.4986523293801535
Energy: 1.716453919467202
Energy: 1.5845043811747272
Energy: 1.4986523293801535
Energy: 1.716453919467202
Energy: 1.6669319579762227
Energy: 1.660607989707595
Energy: 1.5085900365312004
Energy: 1.6669319579740391
Energy: 1.6606079897119623
Energy: 1.5085900365290166
Energy: 1.6669319579762227
Energy: 1.6606079897119623
Energy: 1.5085900365290166
Energy: 1.6669319579762227
Energy: 1.579155386578453
Energy: 1.5832506327042999
Energy: 1.4963689327503429
Energy: 1.579155386578453
Energy: 1.5832506327042999
Energy: 1.4963689327503429
Energy: 1.5791553865806367
Energy: 1.5832506327042999
Energy: 1.4963689327525262
Energy: 1.579155386578453
Energy: 1.5156440992120133
Energy: 1.6144212904452133
Energy: 1.6478736672853755
Energy: 1.5156440992120133
Energy: 1.6144212904430297
Energy: 1.6478736672853755
Energy: 1.515644099214197
Energy: 1.6144212904430297
Energy: 1.6478736672875591
Energy: 1.5156440992163807
Energy: 1.6746092667152574
Energy: 1.6071712051279134
Energy: 1.583675331451703
Energy: 1.6746092667174415
Energy: 1.6071712051257299
Energy: 1.5836753314495193
Energy: 1.6746092667174415
Energy: 1.6071712051257299
Energy: 1.583675331451703
Energy: 1.6746092667174415
Energy: 1.9313701423185372
Energy: 1.484645831107296
Energy: 1.6237173155966818
Energy: 1.9313701423207208
Energy: 1.484645831107296
Energy: 1.6237173155966818
Energy: 1.9313701423185372
Energy: 1.484645831107296
Energy: 1.623717315594498
Energy: 1.9313701423185372
Energy: 1.6050671367757943
Energy: 1.9885020685879353
Energy: 1.6130652962200833
Energy: 1.6050671367757943
Energy: 1.9885020685879353
Energy: 1.6130652962200833
Energy: 1.6050671367779779
Energy: 1.9885020685857515
Energy: 1.6130652962178995
Energy: 1.605067136780122
Energy: 1.6374128719428787
Energy: 1.485578716052628
Energy: 1.8836626306890585
Energy: 1.6374128719450625
Energy: 1.4855757813247394
Energy: 1.8836626306912418
Energy: 1.637412871947246
Energy: 1.4855787160482605
Energy: 1.8836626306868745
Energy: 1.6374128719428787
Energy: 1.5102615133629356
Energy: 1.5287239106703872
Energy: 1.6595102926242065
Energy: 1.5102615133651192
Energy: 1.5287239106703872
Energy: 1.6595102926220229
Energy: 1.510261513360752
Energy: 1.5287239106725707
Energy: 1.6595102926242065
Energy: 1.510261513360752
Energy: 1.536236681259026
Energy: 1.566068435817424
Energy: 1.5100225108033933
Energy: 1.5362366812546588
Energy: 1.5660684358130563
Energy: 1.510021865696715
Energy: 1.5362366812568424
Energy: 1.5660684358108727
Energy: 1.5100225107968424
Energy: 1.536236681259026
Energy: 1.496921782578074
Energy: 1.5677605566166166
Energy: 1.4796142867496282
Energy: 1.4969217825802577
Energy: 1.5677605566166166
Energy: 1.4796142867474442
Energy: 1.4969217825802577
Energy: 1.5677605566166166
Energy: 1.4796142867518118
Energy: 1.4969217825758905
Energy: 1.554721337694981
Energy: 1.6656560936347546
Energy: 1.6924611667115494
Energy: 1.554741602616383
Energy: 1.665656093632571
Energy: 1.6924611667115494
Energy: 1.5547213376971647
Energy: 1.665656093632571
Energy: 1.692461166713733
Energy: 1.5547416026207106

minimum gb energy = 1.4742121354476272 eV
minimum distance =  2.18374600849746 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.4278868366799304
Energy: 1.451758753352595
Energy: 1.4599598193945895
Energy: 1.4278868366791349
Energy: 1.451758753352595
Energy: 1.4599598193929983
Energy: 1.4278868366799304
Energy: 1.4517587533517995
Energy: 1.4599598193945895
Energy: 1.4278868366799304
Energy: 1.6252506485300175
Energy: 1.3946647724453332
Energy: 1.5835444160376508
Energy: 1.6252506485308131
Energy: 1.3946647724453332
Energy: 1.5835444160384464
Energy: 1.6252506485300175
Energy: 1.3946647724461287
Energy: 1.5835444160376508
Energy: 1.6252506485300175
Energy: 1.5813248461457732
Energy: 1.3833912014998253
Energy: 1.7503637762806328
Energy: 1.5813248461457732
Energy: 1.3833912015006207
Energy: 1.7503637763847788
Energy: 1.5813248461457732
Energy: 1.3833912015006207
Energy: 1.7503637763020405
Energy: 1.5813248461457732
Energy: 1.5475245611865882
Energy: 1.715830378071203
Energy: 1.545001034495983
Energy: 1.5475245611857926
Energy: 1.715830378072794
Energy: 1.545001034495983
Energy: 1.5475245611865882
Energy: 1.7158303780719983
Energy: 1.5450010344967786
Energy: 1.5475245611865882
Energy: 1.5538995716218398
Energy: 1.4113594451563036
Energy: 1.7462222995943755
Energy: 1.5538995716218398
Energy: 1.4113594451563036
Energy: 1.7462222995927843
Energy: 1.5538995716210444
Energy: 1.4113594451563036
Energy: 1.7462222995943755
Energy: 1.5538995716226356
Energy: 1.5534029366220388
Energy: 1.66916831631402
Energy: 1.395056292740483
Energy: 1.5534029366220388
Energy: 1.6691683163148157
Energy: 1.395056292740483
Energy: 1.5534029366220388
Energy: 1.66916831631402
Energy: 1.395056292740483
Energy: 1.5534029366220388
Energy: 1.6573583784077544
Energy: 1.4269981373308542
Energy: 1.3834939183474106
Energy: 1.6573583784077544
Energy: 1.4269981373308542
Energy: 1.3834939183466153
Energy: 1.6573583784069588
Energy: 1.4269981373308542
Energy: 1.38349391834582
Energy: 1.6573583784077544
Energy: 1.5226384258122998
Energy: 1.672038619915825
Energy: 1.5388353061850601
Energy: 1.5226384258122998
Energy: 1.672038619915825
Energy: 1.5388353061850601
Energy: 1.5226384258115042
Energy: 1.672038619915825
Energy: 1.5388353061850601
Energy: 1.5226384258122998
Energy: 1.6302397731930565
Energy: 1.4116903568731785
Energy: 1.411227086053134
Energy: 1.630239773193852
Energy: 1.4116903568731785
Energy: 1.411227086053134
Energy: 1.630239773192261
Energy: 1.4116903568739743
Energy: 1.411227086053134
Energy: 1.6302397731930565
Energy: 1.542640709201026
Energy: 1.5985327881129527
Energy: 1.575129779808399
Energy: 1.5426407092018215
Energy: 1.5985327881129527
Energy: 1.575129778184586
Energy: 1.5426407092018215
Energy: 1.5985327881121572
Energy: 1.5751297958183421
Energy: 1.542640709201026
Energy: 1.5111348680951433
Energy: 1.5081846204734661
Energy: 1.521219818909229
Energy: 1.5111348680943477
Energy: 1.5081846204734661
Energy: 1.5212198189076378
Energy: 1.5111348680943477
Energy: 1.5081846204742617
Energy: 1.5212198189084334
Energy: 1.5111348680951433
Energy: 1.5917590534515567
Energy: 1.3947004338581461
Energy: 1.4311550345327961
Energy: 1.5917590534523522
Energy: 1.3947004338581461
Energy: 1.431155034585231
Energy: 1.5917590534515567
Energy: 1.3947004338581461
Energy: 1.431155034515294
Energy: 1.5917590534523522
Energy: 1.4121909798776853
Energy: 1.5015214589435633
Energy: 1.4114481330042072
Energy: 1.4121909798776853
Energy: 1.5015214589435633
Energy: 1.4114481330042072
Energy: 1.4121909798776853
Energy: 1.5015214589435633
Energy: 1.4114481330042072
Energy: 1.4121909798776853
Energy: 1.4236238532527516
Energy: 1.4470442837781823
Energy: 1.563885876039353
Energy: 1.4236238532535472
Energy: 1.4470442837773867
Energy: 1.5638858760401488
Energy: 1.4236238532527516
Energy: 1.4470442837781823
Energy: 1.5638858760401488
Energy: 1.4236238532535472

minimum gb energy = 1.3833912014998253 eV
minimum distance =  2.20832819262982 Angstroms
sigma value = 33