Model name: model_name=Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
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=60.0
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: 0.022216048379441775
Energy: 0.6420286027552239
Energy: 0.7303447675040373
Energy: 0.6420404053479151
Energy: 0.022216048379441775
Energy: 0.6420286027552239
Energy: 0.4030760529208573
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548327225
Energy: 0.02241512904822111
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548327225
Energy: 0.022216048379441775
Energy: 0.6420286027552239
Energy: 0.7303447675040373
Energy: 0.6420404053479151
Energy: 0.022216048379441775
Energy: 0.6420286027552239
Energy: 0.4030760529234959
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548327225
Energy: 0.02241512904822111
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548327225
Energy: 0.022216048379441775
Energy: 0.6420286027552239
Energy: 1.0711823414072101
Energy: 0.6420404053479151
Energy: 0.022216048379441775
Energy: 0.6420286027552239
Energy: 0.4030760529208573
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548327225
Energy: 0.02241512904822111
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548327225

minimum gb energy = 0.022216048379441775 eV
minimum distance =  2.46934699433965 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.6738668291554217
Energy: 1.6499124656591164
Energy: 1.6811405823795036
Energy: 1.6467150808170963
Energy: 1.6738668291554217
Energy: 1.6499124656591164
Energy: 1.68114058237628
Energy: 1.5424330010020384
Energy: 1.569240283723286
Energy: 1.6872799370353873
Energy: 1.5536034444163314
Energy: 1.5424330010020384
Energy: 1.569240283723286
Energy: 1.6872799370353873
Energy: 1.5291776437305298
Energy: 1.5505195517477002
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Energy: 1.5505195517477002
Energy: 1.6984917478817578
Energy: 1.6338671643646128
Energy: 1.616219531643972
Energy: 1.6803672500670324
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Energy: 1.6338671643646128
Energy: 1.616219531643972
Energy: 1.6803672500670324
Energy: 1.5400140137871194
Energy: 1.5267448039044296
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Energy: 1.5761087900808668
Energy: 1.5400140137871194
Energy: 1.5267448039044296
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Energy: 1.571477408745118
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Energy: 1.6188990163776125
Energy: 1.69308118053724
Energy: 1.5332363650806673
Energy: 1.5518674255155136
Energy: 1.6651337526337722
Energy: 1.5541961860096634
Energy: 1.5332363650806673
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Energy: 1.6651337526337722
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Energy: 1.5429348865070702
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Energy: 1.603740454718012
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Energy: 1.6874508278402522
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Energy: 1.5065550549430557
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Energy: 1.5065550549430557
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Energy: 1.67291360295156
Energy: 1.5828159704367657
Energy: 1.6489678064113136
Energy: 1.7091986469647171
Energy: 1.5639630718265336
Energy: 1.5274812543312322
Energy: 1.5891918184035305
Energy: 1.5551722266932904
Energy: 1.5639630718265336
Energy: 1.5274812543312322
Energy: 1.5891918184035305
Energy: 1.5376051733288092
Energy: 1.5402339260587994
Energy: 1.7088233412199751
Energy: 1.5561457905286136
Energy: 1.5376051733288092
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Energy: 1.7088794709294295
Energy: 1.5428791302689404
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Energy: 1.5570294783487124
Energy: 1.7088794709294295
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Energy: 1.5980823241703541
Energy: 1.7217951843077495
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Energy: 1.6220435968486535
Energy: 1.668439419843322
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Energy: 1.6220435968486535
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Energy: 1.5218120758484568
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Energy: 1.6353521907846045
Energy: 1.6211753874589516
Energy: 1.5218120758452331
Energy: 1.5478320722576533
Energy: 1.635352190787828
Energy: 1.5875227805638386
Energy: 1.5486816048159202
Energy: 1.6290422887426865
Energy: 1.5530903171932853
Energy: 1.5875227805638386
Energy: 1.5486816048159202
Energy: 1.6290422887394629
Energy: 1.5806642243460705
Energy: 1.6558564110852547
Energy: 1.6692690364464362
Energy: 1.6112582438313932
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Energy: 1.6558564110852547
Energy: 1.6692690364464362
Energy: 1.5787246527453924
Energy: 1.5707971040284037
Energy: 1.7128167935431255
Energy: 1.5244451996820185
Energy: 1.5787246527453924
Energy: 1.5707971040316273
Energy: 1.7128167935431255
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Energy: 1.7440843318364998
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Energy: 1.5366188701324097
Energy: 1.5789624744380486
Energy: 1.7440843318364998
Energy: 1.5549364913903418
Energy: 1.607471218895667
Energy: 1.6984353878182201
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Energy: 1.5549364913935653
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Energy: 1.6984353878182201
Energy: 1.5892842774932208
Energy: 1.5553945078166858
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Energy: 1.5553945078166858
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Energy: 1.5532583674272558
Energy: 1.6285911409475493
Energy: 1.739508960570032
Energy: 1.520504451413539
Energy: 1.5532583674272558
Energy: 1.6285911409475493
Energy: 1.7146740715506577
Energy: 1.5563585456368683
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Energy: 1.7114342748460072
Energy: 1.5849546983951492
Energy: 1.5563585456368683
Energy: 1.5487236531388804
Energy: 1.7114342748460072
Energy: 1.5227694165221382
Energy: 1.5299814464884598
Energy: 1.5947920140961231
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Energy: 1.5227694165221382
Energy: 1.5299814464884598
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Energy: 1.6175717705776045
Energy: 1.6897355280022373
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Energy: 1.6897355280022373
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Energy: 1.5492790479957232
Energy: 1.6947415635236749
Energy: 1.539706864137708
Energy: 1.518204804401331
Energy: 1.5492790479957232
Energy: 1.6947415635236749
Energy: 1.5545098065345986
Energy: 1.537613450622537
Energy: 1.6985322775626084
Energy: 1.568618642165745
Energy: 1.5545098065345986
Energy: 1.537613450622537
Energy: 1.6985322775626084
Energy: 1.5987148473685509
Energy: 1.5832780335668863
Energy: 1.662252931326969
Energy: 1.5511119386823784
Energy: 1.5987148473685509
Energy: 1.5832780335668863
Energy: 1.662252931326969
Energy: 1.5881308653082067
Energy: 1.6207791705800838
Energy: 1.6787659538656157
Energy: 1.6038526221763687
Energy: 1.5881308653082067
Energy: 1.6207791705800838
Energy: 1.6787659538656157
Energy: 1.5506077007871129
Energy: 1.5596443332941834
Energy: 1.641232877393641
Energy: 1.580954195272587
Energy: 1.5506077007871129
Energy: 1.5596443332941834
Energy: 1.641232877393641
Energy: 1.5882948902651823
Energy: 1.5645585576490708
Energy: 1.673103903041479
Energy: 1.55607188202774
Energy: 1.5882948902651823
Energy: 1.5645585576490708
Energy: 1.673103903041479
Energy: 1.6881700334545306
Energy: 1.57891127841525
Energy: 1.6731563187741645
Energy: 1.5965323244409129
Energy: 1.6881700334545306
Energy: 1.57891127841525
Energy: 1.6731563187741645
Energy: 1.585401739575578
Energy: 1.5734158001154868
Energy: 1.6911057627906767
Energy: 1.5700144511668948
Energy: 1.585401739575578
Energy: 1.5734158001187104
Energy: 1.6911057627906767
Energy: 1.511192908690959
Energy: 1.5366399753958753
Energy: 1.7021002615217584
Energy: 1.5407303840962372
Energy: 1.5111929086941824
Energy: 1.5366399753958753
Energy: 1.7021002615217584
Energy: 1.527051655099815
Energy: 1.6015587632527768
Energy: 1.7174597871255946
Energy: 1.6615080048795174
Energy: 1.527051655099815
Energy: 1.6015587632527768
Energy: 1.7174597871255946
Energy: 1.508686776004178
Energy: 1.6010765059791423
Energy: 1.6057394008635093
Energy: 1.5355133990263503
Energy: 1.508686776004178
Energy: 1.6010765059791423
Energy: 1.6057394008635093

minimum gb energy = 1.5065550549430557 eV
minimum distance =  2.22496776535986 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.6557645600773578
Energy: 1.578206265356352
Energy: 1.7117090404291786
Energy: 1.5694749978531497
Energy: 1.6557645600773578
Energy: 1.578206265356352
Energy: 1.7117090404291786
Energy: 1.525018646897633
Energy: 1.5073925752958788
Energy: 1.743469893968212
Energy: 1.5765545764705826
Energy: 1.525018646897633
Energy: 1.5073925752958788
Energy: 1.743469893968212
Energy: 1.5591418200713492
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Energy: 1.6021698498348351
Energy: 1.578879704322224
Energy: 1.6510034167137522
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Energy: 1.6021698498348351
Energy: 1.578879704322224
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Energy: 1.5870725419080913
Energy: 1.531718319221569
Energy: 1.5822582166220456
Energy: 1.5475541951006375
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Energy: 1.531718319221569
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Energy: 1.5549311315394105
Energy: 1.538046006038794
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Energy: 1.5873322470788267
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Energy: 1.6035717754711543
Energy: 1.5896742636048955
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Energy: 1.5766336661131164
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Energy: 1.590201226323962
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Energy: 1.5315404403012205
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Energy: 1.519451641434407
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Energy: 1.5510765160521303
Energy: 1.6147569927122964
Energy: 1.598729066620399
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Energy: 1.6533333947737696
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Energy: 1.628174173924137
Energy: 1.60230610238533
Energy: 1.6439080499131904
Energy: 1.6442822032485247
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Energy: 1.6439080499131904
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Energy: 1.5315404403012205
Energy: 1.6857324066721942
Energy: 1.534417679386716
Energy: 1.555555290020911
Energy: 1.5315404403012205
Energy: 1.6483532058417105
Energy: 1.5134634824743571
Energy: 1.5920875148783953
Energy: 1.7302605767547592
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Energy: 1.5920875148783953
Energy: 1.6896369934621303
Energy: 1.6557645600773578
Energy: 1.578206265356352
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Energy: 1.5694749978494904
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Energy: 1.578206265356352
Energy: 1.7117090404291786
Energy: 1.525018646897633
Energy: 1.5073925752958788
Energy: 1.743469893968212
Energy: 1.576554576474242
Energy: 1.525018646897633
Energy: 1.5073925752995379
Energy: 1.743469893968212
Energy: 1.5591418200713492
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Energy: 1.6627354426099845
Energy: 1.5829604740344916
Energy: 1.5591418200713492
Energy: 1.5325301252669261
Energy: 1.6627354426099845
Energy: 1.6021698498348351
Energy: 1.578879704322224
Energy: 1.6510034167137522
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Energy: 1.578879704318565
Energy: 1.6510034167137522
Energy: 1.5870725419080913
Energy: 1.531718319221569
Energy: 1.5822582166220456
Energy: 1.5475541951006375
Energy: 1.5870725419080913
Energy: 1.531718319221569
Energy: 1.5822582166220456
Energy: 1.5549311315394105
Energy: 1.538046006038794
Energy: 1.5812969260494383
Energy: 1.5868259690718278
Energy: 1.5549311315394105
Energy: 1.538046006038794
Energy: 1.5812969260494383
Energy: 1.5873322470788267
Energy: 1.593383627002869
Energy: 1.6035717754711543
Energy: 1.5896742636048955
Energy: 1.5873322470788267
Energy: 1.593383627002869
Energy: 1.6035717754711543
Energy: 1.5766336661131164
Energy: 1.551206902584314
Energy: 1.6676042716242034
Energy: 1.590201226323962
Energy: 1.5766336661131164
Energy: 1.551206902584314
Energy: 1.6676042716278625
Energy: 1.5397231852838478
Energy: 1.5510765160521303
Energy: 1.6193193583760968
Energy: 1.51506762384826
Energy: 1.5397231852838478
Energy: 1.5510765160521303
Energy: 1.6193193583760968
Energy: 1.5987290666240581
Energy: 1.7552234810196015
Energy: 1.6562447456483655
Energy: 1.5157707473980513
Energy: 1.5987290666240581
Energy: 1.7552234810196015
Energy: 1.6371177649434354
Energy: 1.60230610238533
Energy: 1.6524416782554736
Energy: 1.6544117679343049
Energy: 1.5158423096349325
Energy: 1.60230610238533
Energy: 1.6524416782554736
Energy: 1.6313901397432404
Energy: 1.556942012828224
Energy: 1.5315404403012205
Energy: 1.7063891692482465
Energy: 1.534417679386716
Energy: 1.556942012828224
Energy: 1.5315404403012205
Energy: 1.6569390881469317
Energy: 1.519451641434407
Energy: 1.5920875148783953
Energy: 1.673745542343455
Energy: 1.5563968772008407
Energy: 1.519451641434407
Energy: 1.5920875148783953
Energy: 1.694909698283123
Energy: 1.6041554826177042
Energy: 1.578206265356352
Energy: 1.7104741690315184
Energy: 1.5694749978494904
Energy: 1.604155482614045
Energy: 1.578206265356352
Energy: 1.7104741690315184
Energy: 1.525018646897633
Energy: 1.5073925752958788
Energy: 1.743469893968212
Energy: 1.582032617351471
Energy: 1.525018646897633
Energy: 1.5073925752958788
Energy: 1.743469893968212

minimum gb energy = 1.5073925752958788 eV
minimum distance =  2.22481966200408 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6183299699024378
Energy: 1.6126560890795019
Energy: 1.7423024009765224
Energy: 1.5981543577146704
Energy: 1.618329969902015
Energy: 1.6126560890795019
Energy: 1.7199117806040816
Energy: 1.5937262967601087
Energy: 1.6035185691081895
Energy: 1.7039139483223533
Energy: 1.6443021960976878
Energy: 1.5937262967601087
Energy: 1.6035185691086116
Energy: 1.7039139483223533
Energy: 1.5833136435030526
Energy: 1.586814048711294
Energy: 1.8152335338031738
Energy: 1.5887217813019827
Energy: 1.5833136435030526
Energy: 1.5868140487108715
Energy: 1.815233533802751
Energy: 1.593524284696233
Energy: 1.542993143997733
Energy: 1.7348053295352532
Energy: 1.5782458450972403
Energy: 1.5935242846958104
Energy: 1.542993143997733
Energy: 1.7348053295356758
Energy: 1.6189880630089504
Energy: 1.5866647925798547
Energy: 1.6770776918185184
Energy: 1.5840923948508236
Energy: 1.6189880630089504
Energy: 1.5866647925798547
Energy: 1.6770776918189405
Energy: 1.5617222561652968
Energy: 1.5808184303830457
Energy: 1.6134283515126022
Energy: 1.5938417869582344
Energy: 1.5617222561652968
Energy: 1.5808184303834683
Energy: 1.6134283515126022
Energy: 1.577119096533322
Energy: 1.7054934613805182
Energy: 1.6135298741617887
Energy: 1.577703389700846
Energy: 1.5771190965337445
Energy: 1.7054934613792505
Energy: 1.6135298741613662
Energy: 1.5848548304049552
Energy: 1.5605701928396947
Energy: 1.8343085645207786
Energy: 1.6482967579483891
Energy: 1.5848548304049552
Energy: 1.5605701928392721
Energy: 1.8343085645207786
Energy: 1.6050103707141568
Energy: 1.5368804800767355
Energy: 1.7553962464978237
Energy: 1.5656234199301031
Energy: 1.6050103707141568
Energy: 1.5368804800767355
Energy: 1.7553962464982464
Energy: 1.5968876662739822
Energy: 1.590191371703823
Energy: 1.7704421461233175
Energy: 1.5625239418764993
Energy: 1.5968876662739822
Energy: 1.590191371703823
Energy: 1.7704421461228952
Energy: 1.676437275756132
Energy: 1.619252515013824
Energy: 1.7056549578721387
Energy: 1.551598296466424
Energy: 1.6764372757565544
Energy: 1.6192525150142465
Energy: 1.705654957872561
Energy: 1.5999510562841548
Energy: 1.611722214670356
Energy: 1.683051883024431
Energy: 1.6629507049173993
Energy: 1.599951056283732
Energy: 1.6117222146699337
Energy: 1.683051883024431
Energy: 1.5773019934847112
Energy: 1.6216463259564993
Energy: 1.6911534337023335
Energy: 1.5762716743419039
Energy: 1.5773019934847112
Energy: 1.6216463259569216
Energy: 1.6911534337023335
Energy: 1.5791592120385698
Energy: 1.5794780423751458
Energy: 1.7068106448068652
Energy: 1.6111888226168662
Energy: 1.5791592120385698
Energy: 1.5794780423751458
Energy: 1.7068106448072877
Energy: 1.6231738097807877
Energy: 1.5565941411348163
Energy: 1.7242675673429368
Energy: 1.5944754619902928
Energy: 1.62317380978121
Energy: 1.5565941411348163
Energy: 1.7242675673433594
Energy: 1.6507778018786006
Energy: 1.5967001811091268
Energy: 1.6508029120571035
Energy: 1.5874478275927972
Energy: 1.6507778018786006
Energy: 1.5967001811095494
Energy: 1.6508029120571035
Energy: 1.6162166395160134
Energy: 1.5640741000952822
Energy: 1.6698859658097127
Energy: 1.5916738036114757
Energy: 1.6162166395160134
Energy: 1.5640741000952822
Energy: 1.669885965810135
Energy: 1.5572840211429773
Energy: 1.6866499841906948
Energy: 1.7838771410274534
Energy: 1.5949028218523262
Energy: 1.5572840211425547
Energy: 1.686649984192385
Energy: 1.7838771410274534
Energy: 1.58693387282888
Energy: 1.5648649953541773
Energy: 1.7619564371257728
Energy: 1.6504723062342639
Energy: 1.5869338728284572
Energy: 1.5648649953545997
Energy: 1.7534073240607864
Energy: 1.598334174052286
Energy: 1.5504063228428946
Energy: 1.7030499669881953
Energy: 1.580907769418944
Energy: 1.598334174052286
Energy: 1.5504063228433171
Energy: 1.7030499669886179
Energy: 1.6045927925115162
Energy: 1.573786484618743
Energy: 1.6583053870356734
Energy: 1.5834102888458377
Energy: 1.6045927925115162
Energy: 1.573786484618743
Energy: 1.6422550855804954
Energy: 1.6236252496947758
Energy: 1.6167975046744818
Energy: 1.670375335053213
Energy: 1.5434019865756277
Energy: 1.623625249694353
Energy: 1.6167975046744818
Energy: 1.670375335053213
Energy: 1.5943318421059787
Energy: 1.6042597585011777
Energy: 1.699120604750101
Energy: 1.5857891435295457
Energy: 1.5943318421059787
Energy: 1.6042597585011777
Energy: 1.7068448274378685
Energy: 1.5955006554157303
Energy: 1.5977154383250372
Energy: 1.7649117845271267
Energy: 1.5671513022731425
Energy: 1.5955006554157303
Energy: 1.5977154383250372
Energy: 1.7649117845271267
Energy: 1.6131954248221863
Energy: 1.6043067268782396
Energy: 1.7041014059162438
Energy: 1.5666715640584152
Energy: 1.6131954248226086
Energy: 1.6043067268782396
Energy: 1.6203126900467442
Energy: 1.6938290704671355
Energy: 1.5985979320016883
Energy: 1.7027849252620681
Energy: 1.6325134706652165
Energy: 1.6938290704671355
Energy: 1.598597932001266
Energy: 1.7027849252620681
Energy: 1.6533099524042076
Energy: 1.582009089953282
Energy: 1.7471460557397098
Energy: 1.6007661007011376
Energy: 1.6533099524042076
Energy: 1.5820090899537047
Energy: 1.7471460557397098
Energy: 1.629314169215017
Energy: 1.6121127999417297
Energy: 1.6953013713795615
Energy: 1.5850848093343177
Energy: 1.6293141692145943
Energy: 1.6121127999417297
Energy: 1.6953013713795615
Energy: 1.576444155748887
Energy: 1.6008907291494092
Energy: 1.7636658852904916
Energy: 1.5798065708633249
Energy: 1.576444155748887
Energy: 1.6008907291489864
Energy: 1.780732689414792
Energy: 1.577937361452905
Energy: 1.5648588539449866
Energy: 1.7566044512587045
Energy: 1.598622247609306
Energy: 1.577937361452905
Energy: 1.564858853944564
Energy: 1.756604451258282
Energy: 1.5615924352966852
Energy: 1.5862815161042627
Energy: 1.639413174356509
Energy: 1.5685692830607254
Energy: 1.5615924352962627
Energy: 1.5862815161042627
Energy: 1.593364793487204
Energy: 1.5858091378992036
Energy: 1.5389056089172362
Energy: 1.6953594796195488
Energy: 1.5641133817162913
Energy: 1.5858091378992036
Energy: 1.5389056089172362
Energy: 1.6953594796195488
Energy: 1.6168127082683608
Energy: 1.6867551540761414
Energy: 1.6530747265529488
Energy: 1.5991479225294638
Energy: 1.6168127082683608
Energy: 1.6867551540765637
Energy: 1.5960492213045283
Energy: 1.5861152550857534
Energy: 1.6119635530224419
Energy: 1.805946860482182
Energy: 1.6069520135250517
Energy: 1.586115255085331
Energy: 1.6119635530224419
Energy: 1.8059468604817597
Energy: 1.5830605055397353
Energy: 1.6013977098532195
Energy: 1.7313010396252642
Energy: 1.6088863483976308
Energy: 1.5830605055397353
Energy: 1.6013977098532195
Energy: 1.7313010396252642
Energy: 1.5986023942613021
Energy: 1.5892340917305396
Energy: 1.7034628657620283
Energy: 1.6122099985297411
Energy: 1.5986023942617247
Energy: 1.5892340917309622
Energy: 1.7034628657624509

minimum gb energy = 1.5368804800767355 eV
minimum distance =  2.22972935566206 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.5935787606128051
Energy: 1.6003010634892783
Energy: 1.5946619008976377
Energy: 1.5984643073300973
Energy: 1.5935787606133038
Energy: 1.600301063489777
Energy: 1.5946619008966405
Energy: 1.5369482870684772
Energy: 1.5600305668248389
Energy: 1.5339572253540679
Energy: 1.5596606939930078
Energy: 1.536948287068976
Energy: 1.5600305668243402
Energy: 1.5339572253540679
Energy: 1.593597580051762
Energy: 1.5055525061306265
Energy: 1.576627380201283
Energy: 1.5725683187087294
Energy: 1.593597580051762
Energy: 1.5055525061306265
Energy: 1.5766273802002857
Energy: 1.5779524425270988
Energy: 1.559927072620949
Energy: 1.5332389886746212
Energy: 1.5812705534095426
Energy: 1.5779524425270988
Energy: 1.5599270726219465
Energy: 1.5332389886746212
Energy: 1.5991676152178809
Energy: 1.5016020931024743
Energy: 1.5026407682514333
Energy: 1.5726692753798424
Energy: 1.5991676152178809
Energy: 1.5016020931024743
Energy: 1.502640768251932
Energy: 1.5779265458926586
Energy: 1.5299090432372704
Energy: 1.5611118370578303
Energy: 1.5830198573078351
Energy: 1.5779265458926586
Energy: 1.5299090432372704
Energy: 1.5611118370573316
Energy: 1.7197194213189364
Energy: 1.5017099960572662
Energy: 1.5814792397056505
Energy: 1.5723989855336262
Energy: 1.7197194213194351
Energy: 1.5017099960572662
Energy: 1.496205518421859
Energy: 1.5783863863927643
Energy: 1.5022567138306273
Energy: 1.7091652803674942
Energy: 1.5022910432796224
Energy: 1.5783863863932628
Energy: 1.502256713831126
Energy: 1.7091652803674942
Energy: 1.719947801644303
Energy: 1.5724346803438878
Energy: 1.5865743050129384
Energy: 1.5016933120942881
Energy: 1.719947801644303
Energy: 1.572434680343389
Energy: 1.5865743050124397
Energy: 1.5779145706125821
Energy: 1.5809911626049111
Energy: 1.5611029151134845
Energy: 1.5299282636579483
Energy: 1.5779145706130808
Energy: 1.5809911626044122
Energy: 1.5611029151134845
Energy: 1.5991344980370632
Energy: 1.5727652310384752
Energy: 1.5731681045762052
Energy: 1.5015274323279697
Energy: 1.5991344980390578
Energy: 1.5727652310384752
Energy: 1.5666735866557426
Energy: 1.5777937959536383
Energy: 1.5820208518972438
Energy: 1.5335647798890508
Energy: 1.5599452755566454
Energy: 1.5777937959536383
Energy: 1.5820208518972438
Energy: 1.5335647798900482
Energy: 1.5934879566946256
Energy: 1.57263895111619
Energy: 1.53157166629919
Energy: 1.5055299799644242
Energy: 1.5934879566946256
Energy: 1.5726389511166887
Energy: 1.5315716662986913
Energy: 1.5369298073002966
Energy: 1.55964206124833
Energy: 1.5341261959140489
Energy: 1.560249125409951
Energy: 1.5369298073007953
Energy: 1.5596420612493271
Energy: 1.5341261959135502
Energy: 1.593578760613802
Energy: 1.600301063489777
Energy: 1.5946619008976377
Energy: 1.5984643073056637
Energy: 1.5935787606133038
Energy: 1.600301063489777
Energy: 1.5946619008991338
Energy: 1.536948287068976
Energy: 1.5600305668248389
Energy: 1.5339572253535694
Energy: 1.5596606939930078
Energy: 1.536948287068976
Energy: 1.5600305668243402
Energy: 1.5339572253535694
Energy: 1.5935975800512638
Energy: 1.5055525061301278
Energy: 1.5766273802002857
Energy: 1.5725683187087294
Energy: 1.593597580051762
Energy: 1.5055525061306265
Energy: 1.5766273801997868
Energy: 1.5779524425270988
Energy: 1.5599270726214478
Energy: 1.5332389886751199
Energy: 1.5812705534090439
Energy: 1.5779524425270988
Energy: 1.559927072620949
Energy: 1.5332389886746212
Energy: 1.5991676152168837
Energy: 1.5016020931024743
Energy: 1.502640768251932
Energy: 1.5726692753793436
Energy: 1.599167615216385
Energy: 1.5016020931024743
Energy: 1.5026407682514333
Energy: 1.5779265458926586
Energy: 1.5299090432372704
Energy: 1.5611118370578303
Energy: 1.5830198573078351
Energy: 1.5779265458926586
Energy: 1.5299090432377693
Energy: 1.561111837058329
Energy: 1.7197194213189364
Energy: 1.5017099960572662
Energy: 1.4962055184223577
Energy: 1.5723989855336262
Energy: 1.7197194213189364
Energy: 1.5017099960572662
Energy: 1.496205518421859
Energy: 1.5783863863932628
Energy: 1.5022567138306273
Energy: 1.7091652803669954
Energy: 1.5022910432796224
Energy: 1.5783863863932628
Energy: 1.5022567138306273
Energy: 1.7091652803669954
Energy: 1.7199478016448018
Energy: 1.5724346803438878
Energy: 1.5865743050124397
Energy: 1.5016933120942881
Energy: 1.7199478016448018
Energy: 1.5724346803438878
Energy: 1.5865743050124397
Energy: 1.5779145706125821
Energy: 1.5809911626049111
Energy: 1.5611029151139832
Energy: 1.5299282636584466
Energy: 1.5779145706125821
Energy: 1.5809911626044122
Energy: 1.5611029151139832
Energy: 1.5991344980360658
Energy: 1.5727652310384752
Energy: 1.5377112485407067
Energy: 1.5015274323279697
Energy: 1.5991344980365645
Energy: 1.5727652310384752
Energy: 1.5377112485387119
Energy: 1.5777937959536383
Energy: 1.5820208518977426
Energy: 1.5335647798895495
Energy: 1.5599452755566454
Energy: 1.5777937959541368
Energy: 1.5820208518982413
Energy: 1.5335647798895495
Energy: 1.5934879566941273
Energy: 1.57263895111619
Energy: 1.5315716662986913
Energy: 1.5055299799644242
Energy: 1.5934879566941273
Energy: 1.5726389511166887
Energy: 1.53157166629919
Energy: 1.5369298073007953
Energy: 1.55964206124833
Energy: 1.5341261959140489
Energy: 1.5602491254104498
Energy: 1.5369298073007953
Energy: 1.5596420612493271
Energy: 1.5341261959140489
Energy: 1.5935787606133038
Energy: 1.600301063489777
Energy: 1.5946619008971394
Energy: 1.5984643072772406
Energy: 1.593578760613802
Energy: 1.600301063490276
Energy: 1.594661900894646
Energy: 1.536948287068976
Energy: 1.5600305668248389
Energy: 1.5339572253545666
Energy: 1.559660693992509
Energy: 1.536948287068976
Energy: 1.5600305668243402
Energy: 1.5339572253540679

minimum gb energy = 1.496205518421859 eV
minimum distance =  2.26135882825366 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6240842091256928
Energy: 1.69680092995556
Energy: 1.7052087935882367
Energy: 1.6968810721982899
Energy: 1.6240842091256928
Energy: 1.69680092995556
Energy: 1.6776413086252433
Energy: 1.6550413473939436
Energy: 1.5620330366730706
Energy: 1.6221514920625093
Energy: 1.56120665994022
Energy: 1.6550413473939436
Energy: 1.5620330366730706
Energy: 1.6221514920625093
Energy: 1.6149233156671887
Energy: 1.6142706304522687
Energy: 1.6968561397116546
Energy: 1.5935075140434918
Energy: 1.6149233156671887
Energy: 1.6142706304522687
Energy: 1.6968561397116546
Energy: 1.648000685351057
Energy: 1.5616750755535924
Energy: 1.7292495838211073
Energy: 1.5679866377979947
Energy: 1.648000685351057
Energy: 1.5616750755541977
Energy: 1.7292495838211073
Energy: 1.5685873763592024
Energy: 1.626085815291298
Energy: 1.6016745138070587
Energy: 1.5652251136415545
Energy: 1.5685873763585974
Energy: 1.6260858152906927
Energy: 1.6016745138076642
Energy: 1.6479587262575608
Energy: 1.5709002340330556
Energy: 1.6690254142868792
Energy: 1.5697431716216284
Energy: 1.6479587262575608
Energy: 1.5709002340330556
Energy: 1.6690254142868792
Energy: 1.5722048228825214
Energy: 1.6258987504458478
Energy: 1.5769612844881618
Energy: 1.5689613831970621
Energy: 1.5722048228825214
Energy: 1.6258987504458478
Energy: 1.5769612844881618
Energy: 1.6151263753761276
Energy: 1.6228041913366593
Energy: 1.6262247311841949
Energy: 1.5698130575136169
Energy: 1.6151263753761276
Energy: 1.6228041913372646
Energy: 1.6262247311841949
Energy: 1.5639115056270865
Energy: 1.5795243955254588
Energy: 1.5993630704794128
Energy: 1.6724992642866507
Energy: 1.5639115056270865
Energy: 1.5795243955254588
Energy: 1.5993630704794128
Energy: 1.570140899842179
Energy: 1.6057867331031304
Energy: 1.5505803120188448
Energy: 1.5681817783055252
Energy: 1.5701408998427846
Energy: 1.6057867331031304
Energy: 1.5505803120188448
Energy: 1.5579600220525776
Energy: 1.6239643165911675
Energy: 1.5990800186268257
Energy: 1.5859408463735007
Energy: 1.557960022051972
Energy: 1.6239643165911675
Energy: 1.5990800186268257
Energy: 1.5379001804153696
Energy: 1.5730501290432073
Energy: 1.5661571910365975
Energy: 1.5462527761826599
Energy: 1.5379001804153696
Energy: 1.5730501290432073
Energy: 1.5661571910365975
Energy: 1.5563597801147568
Energy: 1.543875691338163
Energy: 1.6754846400837173
Energy: 1.5736530375538407
Energy: 1.5563597801147568
Energy: 1.5438756913387681
Energy: 1.6754846400837173
Energy: 1.5379330265888185
Energy: 1.5762150220471478
Energy: 1.6092081302993564
Energy: 1.6068713882480576
Energy: 1.5379330265888185
Energy: 1.5762150220471478
Energy: 1.6092081302993564
Energy: 1.6421795294867783
Energy: 1.5556043961757948
Energy: 1.5523569776189672
Energy: 1.5788318900868379
Energy: 1.6421795294867783
Energy: 1.5556043961757948
Energy: 1.5523569776189672
Energy: 1.5082339957871305
Energy: 1.6292528779088424
Energy: 1.6095364861934438
Energy: 1.6220613896828826
Energy: 1.5082339957871305
Energy: 1.6292528779088424
Energy: 1.6095364861934438
Energy: 1.6428047368135257
Energy: 1.5554808338460986
Energy: 1.6089070970797792
Energy: 1.5663975193779405
Energy: 1.6428047368135257
Energy: 1.5554808338460986
Energy: 1.6089070970797792
Energy: 1.50841612169354
Energy: 1.5784367926185339
Energy: 1.5906311017163688
Energy: 1.6071103635106356
Energy: 1.50841612169354
Energy: 1.5784367926185339
Energy: 1.5906311017163688
Energy: 1.6019951688885712
Energy: 1.5553555305230216
Energy: 1.6075110311681464
Energy: 1.5667480144908368
Energy: 1.601995168887966
Energy: 1.5553555305230216
Energy: 1.6075110311681464
Energy: 1.5085167049335475
Energy: 1.556659536235669
Energy: 1.5481606950147082
Energy: 1.5565913122517776
Energy: 1.5085167049335475
Energy: 1.556659536235669
Energy: 1.5481606950147082
Energy: 1.6019907665037745
Energy: 1.566885651839565
Energy: 1.607257977260382
Energy: 1.5553624622304385
Energy: 1.6019907665037745
Energy: 1.566885651839565
Energy: 1.607257977260382
Energy: 1.5083603366960987
Energy: 1.6071209797712531
Energy: 1.590608063334214
Energy: 1.578478454987588
Energy: 1.5083603366960987
Energy: 1.6071209797712531
Energy: 1.590608063334214
Energy: 1.642212226929222
Energy: 1.5666801805834467
Energy: 1.6086957207880412
Energy: 1.5553267321828856
Energy: 1.642212226929222
Energy: 1.5666801805834467
Energy: 1.6086957207886468
Energy: 1.508218322691626
Energy: 1.6222354521990914
Energy: 1.6093040976709803
Energy: 1.629305654337308
Energy: 1.508218322691626
Energy: 1.6222354521990914
Energy: 1.6093040976703747
Energy: 1.6444379867602579
Energy: 1.5785397420617362
Energy: 1.6852033193648963
Energy: 1.5556012283271474
Energy: 1.6444379867596524
Energy: 1.5785397420617362
Energy: 1.6852033193648963

minimum gb energy = 1.508218322691626 eV
minimum distance =  2.18714233905865 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.6775273595533828
Energy: 1.6649038942530903
Energy: 1.6774182831651425
Energy: 1.66512228496656
Energy: 1.6775273595533828
Energy: 1.6649038942530903
Energy: 1.6774182831651425
Energy: 1.718430217489671
Energy: 1.5912498741408085
Energy: 1.685260302274598
Energy: 1.5918817301179748
Energy: 1.718430217489671
Energy: 1.5912498741408085
Energy: 1.685260302274598
Energy: 1.6759661232622065
Energy: 1.5924115368068539
Energy: 1.7398820167817295
Energy: 1.5990074897721303
Energy: 1.6759661232622065
Energy: 1.5924115368068539
Energy: 1.7398820167817295
Energy: 1.5299538837635394
Energy: 1.6210185425667767
Energy: 1.7567837848446117
Energy: 1.6260807157833612
Energy: 1.5299538837602222
Energy: 1.621018542570155
Energy: 1.7567837848446117
Energy: 1.6948039721394004
Energy: 1.5097486808636047
Energy: 1.6597406477069205
Energy: 1.5241984557671235
Energy: 1.6948039721394004
Energy: 1.5097486808636047
Energy: 1.6597406477069205
Energy: 1.5248711748670962
Energy: 1.5595072425466658
Energy: 1.756534418995538
Energy: 1.5343383885216955
Energy: 1.5248711748670962
Energy: 1.5595072425466658
Energy: 1.756534418995538
Energy: 1.609393389228665
Energy: 1.5219606158576624
Energy: 1.6531469290357446
Energy: 1.5344314585468037
Energy: 1.609393389228665
Energy: 1.5219606158576624
Energy: 1.653146929039123
Energy: 1.5247777104998765
Energy: 1.5511625352005438
Energy: 1.7084695640987013
Energy: 1.506136521396086
Energy: 1.5247777104964981
Energy: 1.5511625352005438
Energy: 1.7084695640987013
Energy: 1.6270658491302958
Energy: 1.5406777751051284
Energy: 1.7467825925140275
Energy: 1.5257486247791943
Energy: 1.6270658491302958
Energy: 1.5406777751051284
Energy: 1.7467825925140275
Energy: 1.4895551749382354
Energy: 1.5603682980996627
Energy: 1.6768403840147048
Energy: 1.5411654227125664
Energy: 1.4895551749382354
Energy: 1.5603682980996627
Energy: 1.6768403840147048
Energy: 1.5682957017064802
Energy: 1.6020802611472023
Energy: 1.7175403886790814
Energy: 1.5231194662303102
Energy: 1.5682957017064802
Energy: 1.6020802611472023
Energy: 1.7175403886790814
Energy: 1.5104725178140672
Energy: 1.5514662549776501
Energy: 1.8336169436379297
Energy: 1.531471672808991
Energy: 1.5104725178140672
Energy: 1.5514662549776501
Energy: 1.8336169436379297
Energy: 1.572717796310125
Energy: 1.5639576224121516
Energy: 1.6890686571434192
Energy: 1.5128043449693396
Energy: 1.572717796310125
Energy: 1.5639576224121516
Energy: 1.7211816598532452
Energy: 1.64956803710209
Energy: 1.6183917900017035
Energy: 1.8426637681882805
Energy: 1.5658666163547812
Energy: 1.64956803710209
Energy: 1.6183917900017035
Energy: 1.8426637681882805
Energy: 1.5728033970145447
Energy: 1.6329685910556995
Energy: 1.833419895179374
Energy: 1.615685783013142
Energy: 1.5728033970145447
Energy: 1.6329685910556995
Energy: 1.833419895179374
Energy: 1.6494238977383417
Energy: 1.5096713048818586
Energy: 1.6967173214318523
Energy: 1.531260200908286
Energy: 1.6494238977383417
Energy: 1.5096713048818586
Energy: 1.6967173214318523
Energy: 1.6286338070732853
Energy: 1.5659210294422479
Energy: 1.8378506681249887
Energy: 1.5146707427779966
Energy: 1.6286338070732853
Energy: 1.5659210294422479
Energy: 1.8378506681249887
Energy: 1.551785275327315
Energy: 1.5056377786198916
Energy: 1.7584955353783436
Energy: 1.5309287098522362
Energy: 1.551785275327315
Energy: 1.5056377786198916
Energy: 1.7584955353783436
Energy: 1.628682796804349
Energy: 1.5733228814553142
Energy: 1.729190312124893
Energy: 1.5601488335974085
Energy: 1.628682796804349
Energy: 1.5733228814553142
Energy: 1.729190312124893
Energy: 1.516356882223157
Energy: 1.5123693090613324
Energy: 1.7091825019566622
Energy: 1.4929271513743734
Energy: 1.516356882223157
Energy: 1.5123693090613324
Energy: 1.7091825019566622
Energy: 1.5720052752057734
Energy: 1.510950475208702
Energy: 1.7035134099313032
Energy: 1.6185865901859837
Energy: 1.5720052752057734
Energy: 1.510950475208702
Energy: 1.7035134099313032
Energy: 1.483758426376958
Energy: 1.5110016631626448
Energy: 1.6717306310786217
Energy: 1.5178642855458033
Energy: 1.483758426376958
Energy: 1.5110016631626448
Energy: 1.6717306310786217
Energy: 1.5715756762933155
Energy: 1.4992500665693846
Energy: 1.7402137823110342
Energy: 1.613341595173427
Energy: 1.5715756762933155
Energy: 1.4992500665693846
Energy: 1.7402137823110342
Energy: 1.6036083573594302
Energy: 1.5167916318250756
Energy: 1.676478150023291
Energy: 1.510849509099606
Energy: 1.6036083573594302
Energy: 1.5167916318250756
Energy: 1.676478150023291
Energy: 1.5957207822341832
Energy: 1.588280307822276
Energy: 1.7067251108624444
Energy: 1.6684749040987794
Energy: 1.5957207822341832
Energy: 1.588280307822276
Energy: 1.7067251108624444
Energy: 1.5920194971852055
Energy: 1.595109037304825
Energy: 1.7645747034967478
Energy: 1.586788944237873
Energy: 1.5920194971852055
Energy: 1.595109037304825
Energy: 1.7645747034967478
Energy: 1.6599590559240025
Energy: 1.5679829046291733
Energy: 1.6776817318860144
Energy: 1.6735698109258814
Energy: 1.6599590559240025
Energy: 1.5679829046291733
Energy: 1.6776817318860144
Energy: 1.5660277438217693
Energy: 1.660115558063517
Energy: 1.7138865129533098
Energy: 1.6566046501467542
Energy: 1.566027743818391
Energy: 1.660115558063517
Energy: 1.7138865129533098
Energy: 1.6761152818072758
Energy: 1.568468639459016
Energy: 1.6377410819266625
Energy: 1.6764956928086239
Energy: 1.6761152818072758
Energy: 1.5684686394556375
Energy: 1.6377410819232838
Energy: 1.5512181359601322
Energy: 1.5936960064691268
Energy: 1.7254465291576484
Energy: 1.5883466789052099
Energy: 1.5512181359635104
Energy: 1.5936960064691268
Energy: 1.7254465291576484
Energy: 1.5632796149518495
Energy: 1.5690567199300243
Energy: 1.7188216316196978
Energy: 1.6751184223779532
Energy: 1.5632796149518495
Energy: 1.5690567199300243
Energy: 1.7188216316196978
Energy: 1.5681241565203115
Energy: 1.5060395882281155
Energy: 1.6860666761237073
Energy: 1.5494715741567553
Energy: 1.5681241565203115
Energy: 1.5060395882314939
Energy: 1.6860666761237073
Energy: 1.5764490162678257
Energy: 1.5121164991270424
Energy: 1.7247774147396289
Energy: 1.6086247655668076
Energy: 1.5764490162678257
Energy: 1.5121164991270424
Energy: 1.7247774147396289
Energy: 1.530159238687874
Energy: 1.506279032802896
Energy: 1.6043055638262822
Energy: 1.5203458524695568
Energy: 1.530159238687874
Energy: 1.506279032802896
Energy: 1.6043055638262822
Energy: 1.5429828481265748
Energy: 1.5148364740811617
Energy: 1.6883287130860054
Energy: 1.5903143510252584
Energy: 1.5429828481265748
Energy: 1.5148364740845401
Energy: 1.6883287130860054
Energy: 1.5223453920034133
Energy: 1.5392227843817263
Energy: 1.596218716419367
Energy: 1.497347082843689
Energy: 1.5223453920034133
Energy: 1.5392227843817263
Energy: 1.596218716419367
Energy: 1.517674334561843
Energy: 1.5264091326163622
Energy: 1.6873996762380858
Energy: 1.5973168106245745
Energy: 1.517674334561843
Energy: 1.5264091326163622
Energy: 1.6873996762380858
Energy: 1.5250141229333825
Energy: 1.5448024756201895
Energy: 1.6556155263333674
Energy: 1.4974464639697174
Energy: 1.5250141229333825
Energy: 1.5448024756201895
Energy: 1.6556155263333674
Energy: 1.5046883883505997
Energy: 1.5851039768242299
Energy: 1.824438218450183
Energy: 1.5634256914337918
Energy: 1.5046883883505997
Energy: 1.5851039768242299
Energy: 1.824438218450183
Energy: 1.5572249005931509
Energy: 1.6087148736969061
Energy: 1.6435381992837488
Energy: 1.5662695180101258
Energy: 1.5572249005931509
Energy: 1.6087148737002843
Energy: 1.6435381992837488
Energy: 1.618518243123975
Energy: 1.5987526665384757
Energy: 1.8318671426320343
Energy: 1.5633681174094818
Energy: 1.618518243123975
Energy: 1.5987526665384757
Energy: 1.8318671426320343
Energy: 1.5339181114803437
Energy: 1.6351406302089784
Energy: 1.8156577373028409
Energy: 1.6511074053761228
Energy: 1.5339181114803437
Energy: 1.6351406302089784
Energy: 1.8156577373028409
Energy: 1.5965683589117758
Energy: 1.5987914995380912
Energy: 1.7934447341666777
Energy: 1.590461388434201
Energy: 1.5965683589151543
Energy: 1.5987914995380912
Energy: 1.7934447341666777
Energy: 1.610747481790974
Energy: 1.6031921375870877
Energy: 1.8084713564205626
Energy: 1.5557570996431278
Energy: 1.610747481790974
Energy: 1.6031921375870877
Energy: 1.8084713564205626
Energy: 1.5394826236197605
Energy: 1.5863694395515702
Energy: 1.7843456016178132
Energy: 1.5873222111162673
Energy: 1.5394826236197605
Energy: 1.5863694395515702
Energy: 1.7843456016178132

minimum gb energy = 1.483758426376958 eV
minimum distance =  2.19918542397356 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.541559749317923
Energy: 1.3721803355360631
Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.550813424407307
Energy: 1.5792748293719774
Energy: 1.3721803355360631
Energy: 1.6464029437217411
Energy: 1.3721803355368247
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.4888871998620774
Energy: 1.5792748293719774
Energy: 1.3721803355375866
Energy: 1.5267113693856087
Energy: 1.3721803355368247
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.5207193614144543
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.5663446947019573
Energy: 1.3721803355375866
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.5663446946989108
Energy: 1.5792748293704884
Energy: 1.3721803355360631
Energy: 1.677440253021397
Energy: 1.3721803355375866
Energy: 1.579274829369727
Energy: 1.3721803355368247
Energy: 1.520719361406837
Energy: 1.5792748293719774
Energy: 1.3721803355360631
Energy: 1.520719361406837
Energy: 1.3721803355375866
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.5267113693856087
Energy: 1.5792748293712155
Energy: 1.3721803355383484
Energy: 1.5543821646606963
Energy: 1.3721803355375866
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.5663446947126212
Energy: 1.5792748293712155
Energy: 1.3721803355353015
Energy: 1.5981733567109868
Energy: 1.3721803355375866
Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.5267113693863703
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.4888871998613156
Energy: 1.3721803355368247
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.5207193614205476
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.658686646343799
Energy: 1.3721803355368247
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.5508134245032457
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.5207193614144543
Energy: 1.3721803355368247
Energy: 1.5792748293704884
Energy: 1.3721803355360631
Energy: 1.5207193614251178
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.4888871998613156
Energy: 1.3721803355375866
Energy: 1.5792748293719774
Energy: 1.3721803355360631
Energy: 1.4888871998620774
Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.5447774934964726
Energy: 1.3721803355368247
Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.488887199862839
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.488887199862839
Energy: 1.3721803355368247
Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.488887199862839
Energy: 1.5792748293712155
Energy: 1.3721803355375866
Energy: 1.4888871998620774
Energy: 1.3721803355368247
Energy: 1.5792748293719774
Energy: 1.3721803355368247
Energy: 1.488887199862839
Energy: 1.5792748293712155
Energy: 1.3721803355360631
Energy: 1.4888871998620774
Energy: 1.3721803355360631
Energy: 1.5792748293719774
Energy: 1.3721803355375866
Energy: 1.488887199862839
Energy: 1.5792748293719774
Energy: 1.3721803355383484
Energy: 1.4888871998620774
Energy: 1.3721803355360631
Energy: 1.5792748293704884
Energy: 1.3721803355368247
Energy: 1.488887199862839
Energy: 1.5792748293719774
Energy: 1.3721803355375866
Energy: 1.488887199862839
Energy: 1.3721803355360631
Energy: 1.5792748293719774
Energy: 1.3721803355375866
Energy: 1.4888871998620774
Energy: 1.5792748293704884
Energy: 1.3721803355360631
Energy: 1.4888871998636009
Energy: 1.3721803355360631
Energy: 1.5792748293712155
Energy: 1.3721803355368247
Energy: 1.4888871998613156
Energy: 1.5792748293719774
Energy: 1.3721803355375866
Energy: 1.4888871998620774
Energy: 1.3721803355375866
Energy: 1.5792748293719774
Energy: 1.3721803355375866
Energy: 1.4888871998620774

minimum gb energy = 1.3721803355353015 eV
minimum distance =  2.31864770771829 Angstroms
sigma value = 23