Model name: model_name=Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_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: 0.6420286027525853
Energy: 0.7303447675013988
Energy: 0.6420404053452765
Energy: 0.022216048379441775
Energy: 0.6420286027525853
Energy: 0.4030760529182188
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548063364
Energy: 0.02241512904822111
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548063364
Energy: 0.022216048379441775
Energy: 0.6420286027525853
Energy: 0.7303447675040373
Energy: 0.6420404053452765
Energy: 0.022216048379441775
Energy: 0.6420286027525853
Energy: 0.4030760529208573
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548063364
Energy: 0.02241512904822111
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548063364
Energy: 0.022216048379441775
Energy: 0.6420286027525853
Energy: 1.0711823414072101
Energy: 0.6420404053452765
Energy: 0.022216048379441775
Energy: 0.6420286027525853
Energy: 0.4030760529208573
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548063364
Energy: 0.02241512904822111
Energy: 0.7298174160204898
Energy: 0.022367826093967823
Energy: 0.31480633548063364

minimum gb energy = 0.022216048379441775 eV
minimum distance =  2.46934699433945 Angstroms
sigma value = 5


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

Energy: 1.6738668291489744
Energy: 1.649912465646222
Energy: 1.681140582363386
Energy: 1.6467150808074258
Energy: 1.6738668291489744
Energy: 1.649912465646222
Energy: 1.681140582363386
Energy: 1.5424330009924263
Energy: 1.569240283713615
Energy: 1.6872799370257168
Energy: 1.553603444406661
Energy: 1.5424330009924263
Energy: 1.569240283713615
Energy: 1.6872799370257168
Energy: 1.5291776437208593
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Energy: 1.6162195316343013
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Energy: 1.5400140137774492
Energy: 1.526744803894759
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Energy: 1.5400140137774492
Energy: 1.526744803894759
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Energy: 1.5436919039787906
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Energy: 1.582815970427095
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Energy: 1.7091986469485994
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Energy: 1.5891918183938598
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Energy: 1.7088233412103049
Energy: 1.5561457905221665
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Energy: 1.547832072247983
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Energy: 1.5218120758355627
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Energy: 1.5875227805541678
Energy: 1.5486816050059917
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Energy: 1.5530903171836146
Energy: 1.5875227805541678
Energy: 1.5486816050059917
Energy: 1.6290422887265688
Energy: 1.5806642243331763
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Energy: 1.5707971040187332
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Energy: 1.744084331826829
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Energy: 1.5205044514006447
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Energy: 1.6285911409378786
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Energy: 1.5299814464787893
Energy: 1.5947920140832292
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Energy: 1.5227694165124674
Energy: 1.5299814464787893
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Energy: 1.617571770571157
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Energy: 1.5182048043917191
Energy: 1.549279047986053
Energy: 1.694741563517228
Energy: 1.5545098065281517
Energy: 1.5376134506096426
Energy: 1.698532277549714
Energy: 1.5686186421560742
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Energy: 1.5987148473588804
Energy: 1.5832780335572156
Energy: 1.662252931314075
Energy: 1.5511119386727077
Energy: 1.5987148473588804
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Energy: 1.662252931314075
Energy: 1.5881308653017596
Energy: 1.6207791705768602
Energy: 1.6787659538559452
Energy: 1.6038526221538036
Energy: 1.5881308653017596
Energy: 1.6207791705768602
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Energy: 1.5596443332812895
Energy: 1.6412328773839704
Energy: 1.58095419526614
Energy: 1.5506077007774426
Energy: 1.5596443332812895
Energy: 1.6412328773839704
Energy: 1.588294890255512
Energy: 1.5645585576458472
Energy: 1.6731039030285848
Energy: 1.5560718820148458
Energy: 1.5882948902522884
Energy: 1.5645585576458472
Energy: 1.6731039030285848
Energy: 1.6881700334448604
Energy: 1.5789112784055792
Energy: 1.6731563187644938
Energy: 1.5965323244312424
Energy: 1.6881700334448604
Energy: 1.5789112784055792
Energy: 1.6731563187644938
Energy: 1.5854017395659075
Energy: 1.5734158001058747
Energy: 1.6911057627745592
Energy: 1.5700144511572245
Energy: 1.5854017395659075
Energy: 1.5734158001058747
Energy: 1.6911057627745592
Energy: 1.511192908684512
Energy: 1.5366399753862048
Energy: 1.7021002615056409
Energy: 1.5407303840833433
Energy: 1.511192908684512
Energy: 1.5366399753862048
Energy: 1.7021002615056409
Energy: 1.5270516550869206
Energy: 1.6015587632398829
Energy: 1.717459787115924
Energy: 1.6615080048698467
Energy: 1.5270516550869206
Energy: 1.6015587632398829
Energy: 1.717459787115924
Energy: 1.508686775991343
Energy: 1.6010765059694716
Energy: 1.6057394008473915
Energy: 1.5355133990166798
Energy: 1.508686775991343
Energy: 1.6010765059694716
Energy: 1.605739400850615

minimum gb energy = 1.5065550549333855 eV
minimum distance =  2.22496776544178 Angstroms
sigma value = 401


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

Energy: 1.6557645600663808
Energy: 1.5782062653490339
Energy: 1.7117090404182014
Energy: 1.569474997893399
Energy: 1.6557645600663808
Energy: 1.5782062653490339
Energy: 1.7117090404182014
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Energy: 1.5073925752922197
Energy: 1.743469893957235
Energy: 1.5765545764632645
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Energy: 1.743469893957235
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Energy: 1.5788797043149059
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Energy: 1.5870725419007732
Energy: 1.531718319206933
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Energy: 1.6439080499022134
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Energy: 1.5344176793830573
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Energy: 1.6557645600663808
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Energy: 1.7117090404182014
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Energy: 1.7117090404182014
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Energy: 1.743469893957235
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Energy: 1.559141820064031
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Energy: 1.6627354426026664
Energy: 1.602169849823858
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Energy: 1.5822582166110686
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Energy: 1.5549311315320924
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Energy: 1.5380460060351349
Energy: 1.5812969260421201
Energy: 1.5873322470897373
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Energy: 1.6035717754601775
Energy: 1.5896742635939185
Energy: 1.5873322470897373
Energy: 1.5933836269918917
Energy: 1.6035717754601775
Energy: 1.5766336661021394
Energy: 1.5512069025696782
Energy: 1.6676042715985901
Energy: 1.5902012263093257
Energy: 1.5766336661021394
Energy: 1.5512069025696782
Energy: 1.6676042715985901
Energy: 1.5397231852728706
Energy: 1.551076516037494
Energy: 1.6193193583797558
Energy: 1.5150676238372829
Energy: 1.5397231852728706
Energy: 1.551076516037494
Energy: 1.6193193583797558
Energy: 1.598729066609422
Energy: 1.7552234810049654
Energy: 1.6562447456373885
Energy: 1.5157707473907331
Energy: 1.598729066609422
Energy: 1.7552234810049654
Energy: 1.6371177649287993
Energy: 1.6023061023780119
Energy: 1.652441678244496
Energy: 1.654411767923328
Energy: 1.5158423096239553
Energy: 1.6023061023780119
Energy: 1.652441678244496
Energy: 1.6313901397322632
Energy: 1.556942012820906
Energy: 1.5315404402902435
Energy: 1.7063891692409285
Energy: 1.5344176793793978
Energy: 1.556942012820906
Energy: 1.5315404402902435
Energy: 1.6569390881322956
Energy: 1.519451641427089
Energy: 1.5920875148638254
Energy: 1.673745542336137
Energy: 1.5563968771898637
Energy: 1.519451641427089
Energy: 1.5920875148638254
Energy: 1.6949096982721459
Energy: 1.6041554826067268
Energy: 1.5782062653490339
Energy: 1.7104741690205414
Energy: 1.569474997893399
Energy: 1.6041554826067268
Energy: 1.5782062653490339
Energy: 1.7104741690205414
Energy: 1.5250186468903149
Energy: 1.5073925752922197
Energy: 1.743469893957235
Energy: 1.5820326173405603
Energy: 1.5250186468903149
Energy: 1.5073925752922197
Energy: 1.743469893957235

minimum gb energy = 1.5073925752922197 eV
minimum distance =  2.22481966200314 Angstroms
sigma value = 311


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

Energy: 1.6183299698834246
Energy: 1.6126560890693615
Energy: 1.7423024009642696
Energy: 1.5981543577053754
Energy: 1.6183299698834246
Energy: 1.6126560890693615
Energy: 1.7199117805905997
Energy: 1.5937262967499684
Energy: 1.6035185690984715
Energy: 1.7039139483117902
Energy: 1.644302196087125
Energy: 1.5937262967499684
Energy: 1.6035185690980491
Energy: 1.7039139483117902
Energy: 1.5833136434933348
Energy: 1.5868140487019986
Energy: 1.815233533790076
Energy: 1.5887217812918808
Energy: 1.5833136434937571
Energy: 1.5868140487019986
Energy: 1.815233533790076
Energy: 1.5935242846869375
Energy: 1.5429931439888602
Energy: 1.7348053295238455
Energy: 1.5782458450871
Energy: 1.5935242846869375
Energy: 1.5429931439884375
Energy: 1.7348053295238455
Energy: 1.6189880629992324
Energy: 1.5866647925730946
Energy: 1.677077691809223
Energy: 1.5840923948402992
Energy: 1.6189880629992324
Energy: 1.5866647925730946
Energy: 1.6770776918088002
Energy: 1.561722256155579
Energy: 1.580818430373328
Energy: 1.613428351497392
Energy: 1.5938417869485164
Energy: 1.561722256155579
Energy: 1.580818430373328
Energy: 1.6134283514978143
Energy: 1.577119096525717
Energy: 1.7054934613703778
Energy: 1.613529874150381
Energy: 1.577703389692818
Energy: 1.5771190965252944
Energy: 1.7054934613703778
Energy: 1.613529874150381
Energy: 1.5848548303952377
Energy: 1.560570192829977
Energy: 1.8343085645081032
Energy: 1.6482967579365588
Energy: 1.58485483039566
Energy: 1.560570192829977
Energy: 1.8343085645081032
Energy: 1.6050103707048617
Energy: 1.5368804800665952
Energy: 1.7553962464876836
Energy: 1.5656234199186954
Energy: 1.6050103707048617
Energy: 1.5368804800665952
Energy: 1.7553962464876836
Energy: 1.5968876662638418
Energy: 1.5901913716945277
Energy: 1.7704421461102198
Energy: 1.5625239418541448
Energy: 1.5968876662638418
Energy: 1.5901913716945277
Energy: 1.770442146110642
Energy: 1.6764372757459918
Energy: 1.6192525150041062
Energy: 1.7056549578598856
Energy: 1.5515982964719168
Energy: 1.6764372757459918
Energy: 1.6192525150041062
Energy: 1.7056549578603084
Energy: 1.599951056274437
Energy: 1.6117222146530332
Energy: 1.6830518830404861
Energy: 1.6629507049068366
Energy: 1.599951056274437
Energy: 1.6117222146530332
Energy: 1.6830518830400638
Energy: 1.5773019934762609
Energy: 1.621646325946359
Energy: 1.6911534336917704
Energy: 1.576271674322891
Energy: 1.5773019934762609
Energy: 1.621646325946359
Energy: 1.6911534336917704
Energy: 1.5791592120288522
Energy: 1.579478042365889
Energy: 1.7068106447971474
Energy: 1.611188822606726
Energy: 1.5791592120288522
Energy: 1.579478042365889
Energy: 1.7068106447975702
Energy: 1.6231738097706474
Energy: 1.5565941411242534
Energy: 1.7242675673332193
Energy: 1.594475461978885
Energy: 1.6231738097706474
Energy: 1.5565941411242534
Energy: 1.7242675673327965
Energy: 1.6507778018684605
Energy: 1.596700181102405
Energy: 1.6508029120453112
Energy: 1.5874478275826573
Energy: 1.6507778018684605
Energy: 1.596700181102405
Energy: 1.6508029120457337
Energy: 1.6162166395067565
Energy: 1.564074100085987
Energy: 1.6698859657987273
Energy: 1.5916738036013354
Energy: 1.6162166395067565
Energy: 1.564074100085987
Energy: 1.6698859657991498
Energy: 1.557284021133682
Energy: 1.6866499842498077
Energy: 1.7838771410156231
Energy: 1.5949028218434536
Energy: 1.557284021133682
Energy: 1.6866499842493854
Energy: 1.7838771410156231
Energy: 1.586933872819623
Energy: 1.5648649953334743
Energy: 1.7619564371139427
Energy: 1.650472306224162
Energy: 1.5869338728200455
Energy: 1.5648649953334743
Energy: 1.7534073240489945
Energy: 1.5983341740404557
Energy: 1.550406322835712
Energy: 1.7030499669767876
Energy: 1.580907769408842
Energy: 1.5983341740404557
Energy: 1.550406322835712
Energy: 1.7030499669772101
Energy: 1.604592792502221
Energy: 1.573786484608603
Energy: 1.658305388937816
Energy: 1.5834102888361201
Energy: 1.604592792502643
Energy: 1.5737864846081802
Energy: 1.6422550855720452
Energy: 1.6236252496846353
Energy: 1.616797504664764
Energy: 1.670375335042266
Energy: 1.5434019865676385
Energy: 1.6236252496846353
Energy: 1.616797504664764
Energy: 1.670375335042266
Energy: 1.5943318420962609
Energy: 1.6042597584901928
Energy: 1.6991206047386935
Energy: 1.5857891435194054
Energy: 1.5943318420958383
Energy: 1.6042597584901928
Energy: 1.7068448273339691
Energy: 1.59550065540728
Energy: 1.5977154383153191
Energy: 1.7649117845178315
Energy: 1.5671513022634247
Energy: 1.59550065540728
Energy: 1.5977154383153191
Energy: 1.7649117845178315
Energy: 1.6131954248116236
Energy: 1.6043067268668698
Energy: 1.7041014059428237
Energy: 1.5666715640512328
Energy: 1.6131954248116236
Energy: 1.6043067268668698
Energy: 1.620312690143038
Energy: 1.6938290704578403
Energy: 1.5985979319915482
Energy: 1.7027849252502765
Energy: 1.632513470625961
Energy: 1.6938290704574175
Energy: 1.5985979319915482
Energy: 1.7027849252502765
Energy: 1.6533099517082175
Energy: 1.5820090899431805
Energy: 1.747146055728302
Energy: 1.6007661006897296
Energy: 1.6533099517065275
Energy: 1.5820090899431805
Energy: 1.7471460557287244
Energy: 1.629314169204454
Energy: 1.6121127999312055
Energy: 1.6953013713685763
Energy: 1.5850848093216423
Energy: 1.629314169204454
Energy: 1.612112799931628
Energy: 1.6953013713685763
Energy: 1.576444155738324
Energy: 1.6008907291363113
Energy: 1.7636658852773937
Energy: 1.5798065708519171
Energy: 1.5764441557379016
Energy: 1.6008907291363113
Energy: 1.7807326894042292
Energy: 1.5779373614436099
Energy: 1.5648588539361137
Energy: 1.756604451247719
Energy: 1.598622247598743
Energy: 1.5779373614436099
Energy: 1.5648588539361137
Energy: 1.7566044512481414
Energy: 1.5615924352861226
Energy: 1.5862815160991925
Energy: 1.6394131743472138
Energy: 1.5685692830488949
Energy: 1.5615924352861226
Energy: 1.5862815160996147
Energy: 1.5933647934762183
Energy: 1.585809137890792
Energy: 1.5389056089083635
Energy: 1.695359479610292
Energy: 1.5641133817074186
Energy: 1.585809137890792
Energy: 1.5389056089083635
Energy: 1.6953594796107145
Energy: 1.6168127082590653
Energy: 1.686755154066846
Energy: 1.653074726539851
Energy: 1.5991479225184786
Energy: 1.6168127082594876
Energy: 1.686755154066846
Energy: 1.5960492212926982
Energy: 1.586115255073078
Energy: 1.6119635530148366
Energy: 1.8059468604695066
Energy: 1.6069520135149113
Energy: 1.5861152550735007
Energy: 1.6119635530148366
Energy: 1.8059468604699291
Energy: 1.5830605055317075
Energy: 1.6013977098439245
Energy: 1.731301039615124
Energy: 1.6088863483858005
Energy: 1.5830605055317075
Energy: 1.6013977098435017
Energy: 1.7313010396155464
Energy: 1.5986023942494716
Energy: 1.5892340917212442
Energy: 1.7034628657451276
Energy: 1.6122099985246714
Energy: 1.5986023942494716
Energy: 1.5892340917212442
Energy: 1.7034628657451276

minimum gb energy = 1.5368804800665952 eV
minimum distance =  2.22972935688165 Angstroms
sigma value = 39


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

Energy: 1.593578760597891
Energy: 1.6003010634808015
Energy: 1.5946619008841745
Energy: 1.5984643072956908
Energy: 1.5935787605983898
Energy: 1.6003010634813002
Energy: 1.594661900885172
Energy: 1.5369482870585498
Energy: 1.560030566814866
Energy: 1.5339572253396072
Energy: 1.5596606939835336
Energy: 1.5369482870590485
Energy: 1.5600305668143672
Energy: 1.5339572253396072
Energy: 1.5935975800363043
Energy: 1.5055525061226482
Energy: 1.5766273801918087
Energy: 1.5725683186993002
Energy: 1.593597580036803
Energy: 1.5055525061231472
Energy: 1.5766273801913102
Energy: 1.5779524425146325
Energy: 1.5599270726134693
Energy: 1.533238988662155
Energy: 1.5812705533976203
Energy: 1.5779524425146325
Energy: 1.5599270726149652
Energy: 1.533238988662155
Energy: 1.599167615206956
Energy: 1.5016020930949945
Energy: 1.5026407682439538
Energy: 1.5726692753698694
Energy: 1.5991676152074548
Energy: 1.501602093094496
Energy: 1.5026407682439538
Energy: 1.5779265458811897
Energy: 1.5299090432263005
Energy: 1.5611118370443668
Energy: 1.583019857297364
Energy: 1.5779265458811897
Energy: 1.5299090432263005
Energy: 1.5611118370443668
Energy: 1.719719421308465
Energy: 1.5017099960497864
Energy: 1.581479239696675
Energy: 1.5723989855251495
Energy: 1.7197194213089635
Energy: 1.5017099960492877
Energy: 1.4962055184138807
Energy: 1.5783863863822927
Energy: 1.5022567138177079
Energy: 1.7091652803545294
Energy: 1.5022910432657057
Energy: 1.5783863863822927
Energy: 1.5022567138177079
Energy: 1.7091652803540305
Energy: 1.7199478016353276
Energy: 1.5724346803334162
Energy: 1.5865743050034642
Energy: 1.5016933120828195
Energy: 1.7199478016358258
Energy: 1.5724346803334162
Energy: 1.5865743050034642
Energy: 1.5779145706011135
Energy: 1.5809911625974766
Energy: 1.561102915104509
Energy: 1.5299282636459808
Energy: 1.5779145706011135
Energy: 1.5809911625969781
Energy: 1.561102915104509
Energy: 1.5991344980285862
Energy: 1.5727652310270517
Energy: 1.5731681045707202
Energy: 1.5015274323189942
Energy: 1.5991344980310795
Energy: 1.5727652310270517
Energy: 1.5666735866422792
Energy: 1.5777937959402204
Energy: 1.5820208518862737
Energy: 1.5335647798800753
Energy: 1.5599452755461742
Energy: 1.5777937959397217
Energy: 1.582020851886772
Energy: 1.5335647798795766
Energy: 1.5934879566826583
Energy: 1.5726389511047212
Energy: 1.5315716662927077
Energy: 1.5055299799544515
Energy: 1.5934879566826583
Energy: 1.57263895110522
Energy: 1.5315716662927077
Energy: 1.5369298072918194
Energy: 1.5596420612408504
Energy: 1.5341261959015826
Energy: 1.5602491254009756
Energy: 1.5369298072918194
Energy: 1.5596420612408504
Energy: 1.534126195901084
Energy: 1.5935787605988432
Energy: 1.6003010634808015
Energy: 1.5946619008846732
Energy: 1.5984643072309124
Energy: 1.5935787605988432
Energy: 1.6003010634808015
Energy: 1.5946619008841745
Energy: 1.5369482870595472
Energy: 1.560030566814866
Energy: 1.5339572253401057
Energy: 1.5596606939835336
Energy: 1.5369482870595472
Energy: 1.5600305668143672
Energy: 1.5339572253406044
Energy: 1.5935975800363043
Energy: 1.5055525061231472
Energy: 1.5766273801918087
Energy: 1.572568318698802
Energy: 1.5935975800363043
Energy: 1.5055525061226482
Energy: 1.5766273801913102
Energy: 1.5779524425151312
Energy: 1.559927072613968
Energy: 1.5332389886626536
Energy: 1.5812705533976203
Energy: 1.5779524425151312
Energy: 1.5599270726134693
Energy: 1.5332389886616562
Energy: 1.5991676152074548
Energy: 1.5016020930949945
Energy: 1.5026407682439538
Energy: 1.5726692753688725
Energy: 1.5991676152079535
Energy: 1.501602093094496
Energy: 1.5026407682439538
Energy: 1.5779265458811897
Energy: 1.5299090432263005
Energy: 1.5611118370443668
Energy: 1.5830198572978622
Energy: 1.5779265458811897
Energy: 1.5299090432263005
Energy: 1.5611118370438681
Energy: 1.719719421308465
Energy: 1.5017099960497864
Energy: 1.4962055184098917
Energy: 1.5723989855251495
Energy: 1.7197194213089635
Energy: 1.5017099960497864
Energy: 1.4962055184098917
Energy: 1.5783863863827914
Energy: 1.5022567138172092
Energy: 1.7091652803540305
Energy: 1.5022910432662044
Energy: 1.5783863863822927
Energy: 1.5022567138172092
Energy: 1.7091652803545294
Energy: 1.7199478016358258
Energy: 1.5724346803334162
Energy: 1.5865743050034642
Energy: 1.5016933120828195
Energy: 1.7199478016358258
Energy: 1.5724346803334162
Energy: 1.5865743050034642
Energy: 1.5779145706016122
Energy: 1.5809911625974766
Energy: 1.561102915104509
Energy: 1.5299282636454823
Energy: 1.5779145706016122
Energy: 1.5809911625969781
Energy: 1.561102915104509
Energy: 1.5991344980265916
Energy: 1.5727652310275504
Energy: 1.5377112485372613
Energy: 1.5015274323184955
Energy: 1.5991344980260929
Energy: 1.5727652310270517
Energy: 1.5377112485387119
Energy: 1.5777937959397217
Energy: 1.582020851886772
Energy: 1.5335647798795766
Energy: 1.5599452755461742
Energy: 1.5777937959402204
Energy: 1.582020851887271
Energy: 1.5335647798800753
Energy: 1.593487956683157
Energy: 1.5726389511047212
Energy: 1.5315716662927077
Energy: 1.50552997995495
Energy: 1.593487956683157
Energy: 1.57263895110522
Energy: 1.531571666292209
Energy: 1.5369298072918194
Energy: 1.5596420612403517
Energy: 1.534126195901084
Energy: 1.5602491254009756
Energy: 1.5369298072913211
Energy: 1.5596420612408504
Energy: 1.5341261959005856
Energy: 1.593578760597891
Energy: 1.6003010634808015
Energy: 1.5946619008841745
Energy: 1.5984643072722542
Energy: 1.5935787605988432
Energy: 1.6003010634813002
Energy: 1.5946619008841745
Energy: 1.5369482870590485
Energy: 1.5600305668143672
Energy: 1.5339572253401057
Energy: 1.5596606939840323
Energy: 1.5369482870595472
Energy: 1.5600305668143672
Energy: 1.5339572253396072

minimum gb energy = 1.4962055184098917 eV
minimum distance =  2.26135882825585 Angstroms
sigma value = 21


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

Energy: 1.6240842091166405
Energy: 1.6968009299452969
Energy: 1.7052087935749194
Energy: 1.696881072187394
Energy: 1.624084209116035
Energy: 1.6968009299452969
Energy: 1.6776413086107154
Energy: 1.6550413473842582
Energy: 1.5620330366628077
Energy: 1.6221514920498246
Energy: 1.5612066599311674
Energy: 1.6550413473842582
Energy: 1.5620330366628077
Energy: 1.6221514920498246
Energy: 1.6149233156581089
Energy: 1.6142706304426109
Energy: 1.6968561396995754
Energy: 1.593507514034412
Energy: 1.6149233156581089
Energy: 1.6142706304426109
Energy: 1.6968561396995754
Energy: 1.648000685340161
Energy: 1.561675075543302
Energy: 1.7292495838102386
Energy: 1.56798663778952
Energy: 1.648000685340161
Energy: 1.561675075543302
Energy: 1.7292495838102386
Energy: 1.568587376348912
Energy: 1.6260858152804296
Energy: 1.6016745137979786
Energy: 1.5652251136312636
Energy: 1.568587376348912
Energy: 1.6260858152804296
Energy: 1.6016745137979786
Energy: 1.6479587262460595
Energy: 1.57090023402337
Energy: 1.6690254142759833
Energy: 1.569743171611338
Energy: 1.6479587262460595
Energy: 1.57090023402337
Energy: 1.6690254142759833
Energy: 1.572204822883127
Energy: 1.625898750435557
Energy: 1.5769612844784766
Energy: 1.5689613831873765
Energy: 1.572204822883127
Energy: 1.625898750435557
Energy: 1.5769612844784766
Energy: 1.6151263753664422
Energy: 1.622804191327579
Energy: 1.6262247311727211
Energy: 1.5698130575015103
Energy: 1.6151263753664422
Energy: 1.622804191327579
Energy: 1.6262247311727211
Energy: 1.5639115056162178
Energy: 1.5795243955170117
Energy: 1.5993630704685171
Energy: 1.6724992642769656
Energy: 1.5639115056162178
Energy: 1.5795243955170117
Energy: 1.5993630704685171
Energy: 1.5701408998155446
Energy: 1.6057867330940503
Energy: 1.5505803120085542
Energy: 1.5681817782946292
Energy: 1.5701408998155446
Energy: 1.6057867330940503
Energy: 1.5505803120091597
Energy: 1.5579600220701046
Energy: 1.6239643165814823
Energy: 1.599080018617773
Energy: 1.5859408463619993
Energy: 1.5579600220701046
Energy: 1.6239643165814823
Energy: 1.599080018617773
Energy: 1.537900180406895
Energy: 1.5730501290341274
Energy: 1.5661571910250962
Energy: 1.5462527761729745
Energy: 1.5379001804062895
Energy: 1.5730501290341274
Energy: 1.5661571910257017
Energy: 1.55635978008815
Energy: 1.5438756913278722
Energy: 1.6754846400752426
Energy: 1.5736530375259954
Energy: 1.55635978008815
Energy: 1.5438756913278722
Energy: 1.6754846400752426
Energy: 1.5379330265785551
Energy: 1.5762150220386733
Energy: 1.6092081302884604
Energy: 1.6068713882371612
Energy: 1.5379330265785551
Energy: 1.5762150220386733
Energy: 1.6092081302884604
Energy: 1.6421795294770931
Energy: 1.5556043961642931
Energy: 1.5523569776092818
Energy: 1.5788318900777576
Energy: 1.6421795294764876
Energy: 1.5556043961648987
Energy: 1.5523569776098871
Energy: 1.5082339957780504
Energy: 1.6292528778991568
Energy: 1.6095364861831534
Energy: 1.622061389673803
Energy: 1.5082339957780504
Energy: 1.6292528778985516
Energy: 1.6095364861831534
Energy: 1.6428047368044454
Energy: 1.555480833837624
Energy: 1.6089070970713044
Energy: 1.5663975193688604
Energy: 1.6428047368044454
Energy: 1.555480833837624
Energy: 1.6089070970713044
Energy: 1.5084161216838543
Energy: 1.5784367926088487
Energy: 1.5906311017048675
Energy: 1.6071103635015556
Energy: 1.5084161216832495
Energy: 1.5784367926088487
Energy: 1.5906311017048675
Energy: 1.6019951688794911
Energy: 1.5553555305133637
Energy: 1.607511031161488
Energy: 1.566748014481757
Energy: 1.6019951688794911
Energy: 1.5553555305133637
Energy: 1.607511031161488
Energy: 1.5085167049244674
Energy: 1.5566595362296158
Energy: 1.548160695005656
Energy: 1.5565913122426975
Energy: 1.5085167049244674
Energy: 1.5566595362284048
Energy: 1.548160695005656
Energy: 1.6019907664946944
Energy: 1.5668856518316958
Energy: 1.6072579772428273
Energy: 1.5553624622207531
Energy: 1.6019907664946944
Energy: 1.5668856518316958
Energy: 1.6072579772428273
Energy: 1.5083603366876241
Energy: 1.6071209797579356
Energy: 1.5906080633245285
Energy: 1.578478454977903
Energy: 1.5083603366876241
Energy: 1.6071209797579356
Energy: 1.5906080633245285
Energy: 1.6422122269171153
Energy: 1.5666801805852628
Energy: 1.608695720780172
Energy: 1.5553267321732003
Energy: 1.6422122269171153
Energy: 1.5666801805852628
Energy: 1.608695720780172
Energy: 1.508218322683179
Energy: 1.6222354521894062
Energy: 1.6093040976612947
Energy: 1.6293056543258064
Energy: 1.508218322683179
Energy: 1.6222354521894062
Energy: 1.6093040976612947
Energy: 1.64443798674573
Energy: 1.5785397420502352
Energy: 1.6852033193558438
Energy: 1.5556012283168568
Energy: 1.64443798674573
Energy: 1.5785397420508402
Energy: 1.6852033193558438

minimum gb energy = 1.508218322683179 eV
minimum distance =  2.18714233905774 Angstroms
sigma value = 113


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

Energy: 1.6775273595398696
Energy: 1.664903894242955
Energy: 1.6774182831718991
Energy: 1.665122284956425
Energy: 1.6775273595398696
Energy: 1.664903894242955
Energy: 1.6774182831718991
Energy: 1.718430217479536
Energy: 1.591249874134052
Energy: 1.6852603022577062
Energy: 1.5918817301145967
Energy: 1.718430217479536
Energy: 1.591249874134052
Energy: 1.6852603022610846
Energy: 1.6759661232487546
Energy: 1.5924115367967802
Energy: 1.7398820167648374
Energy: 1.5990074897619952
Energy: 1.6759661232487546
Energy: 1.5924115367967802
Energy: 1.7398820167648374
Energy: 1.5299538837500872
Energy: 1.6210185425633985
Energy: 1.756783784837855
Energy: 1.6260807157698478
Energy: 1.5299538837500872
Energy: 1.6210185425633985
Energy: 1.7567837848344767
Energy: 1.6948039721157517
Energy: 1.5097486808534697
Energy: 1.6597406477069205
Energy: 1.5241984557569888
Energy: 1.6948039721157517
Energy: 1.5097486808534697
Energy: 1.6597406477069205
Energy: 1.5248711748569612
Energy: 1.5595072425331524
Energy: 1.7565344189820247
Energy: 1.5343383885115602
Energy: 1.5248711748569612
Energy: 1.5595072425331524
Energy: 1.7565344189820247
Energy: 1.60939338921853
Energy: 1.5219606158441492
Energy: 1.6531469290256096
Energy: 1.5344314585366687
Energy: 1.60939338921853
Energy: 1.5219606158441492
Energy: 1.6531469290256096
Energy: 1.524777710482985
Energy: 1.5511625351904088
Energy: 1.7084695640851877
Energy: 1.506136521385951
Energy: 1.524777710482985
Energy: 1.5511625351904088
Energy: 1.7084695640851877
Energy: 1.6270658491167824
Energy: 1.5406777750916147
Energy: 1.746782592500514
Energy: 1.5257486247690593
Energy: 1.6270658491167824
Energy: 1.5406777750916147
Energy: 1.746782592500514
Energy: 1.489555174924722
Energy: 1.5603682980895275
Energy: 1.6768403840045698
Energy: 1.541165422699053
Energy: 1.489555174924722
Energy: 1.5603682980895275
Energy: 1.6768403840079482
Energy: 1.5682957016997237
Energy: 1.6020802611303102
Energy: 1.7175403886689464
Energy: 1.5231194662201752
Energy: 1.5682957016997237
Energy: 1.6020802611336888
Energy: 1.7175403886689464
Energy: 1.5104725178073106
Energy: 1.5514662549675151
Energy: 1.8336169436277945
Energy: 1.5314716728022342
Energy: 1.5104725178073106
Energy: 1.5514662549675151
Energy: 1.8336169436277945
Energy: 1.5727177962864767
Energy: 1.563957622405395
Energy: 1.6890686571400406
Energy: 1.512804344962583
Energy: 1.572717796289855
Energy: 1.563957622405395
Energy: 1.721181659839732
Energy: 1.6495680370953334
Energy: 1.61839178998819
Energy: 1.8426637681815239
Energy: 1.5658666163446462
Energy: 1.6495680370953334
Energy: 1.61839178998819
Energy: 1.8426637681815239
Energy: 1.5728033970010313
Energy: 1.6329685910455645
Energy: 1.8334198951692389
Energy: 1.6156857829996285
Energy: 1.5728033970010313
Energy: 1.6329685910455645
Energy: 1.8334198951692389
Energy: 1.6494238977315852
Energy: 1.5096713048683452
Energy: 1.6967173214250957
Energy: 1.5312602008947727
Energy: 1.6494238977315852
Energy: 1.5096713048683452
Energy: 1.6967173214250957
Energy: 1.628633807069907
Energy: 1.5659210294321129
Energy: 1.8378506681114755
Energy: 1.51467074277124
Energy: 1.628633807069907
Energy: 1.5659210294321129
Energy: 1.8378506681114755
Energy: 1.5517852753138015
Energy: 1.5056377786097566
Energy: 1.7584955353648304
Energy: 1.530928709838723
Energy: 1.5517852753138015
Energy: 1.5056377786097566
Energy: 1.7584955353648304
Energy: 1.6286827967975923
Energy: 1.5733228814384224
Energy: 1.7291903121215146
Energy: 1.560148833583895
Energy: 1.628682796794214
Energy: 1.5733228814384224
Energy: 1.7291903121215146
Energy: 1.5163568822130218
Energy: 1.5123693090511974
Energy: 1.709182501946527
Energy: 1.4929271513642384
Energy: 1.5163568822130218
Energy: 1.5123693090511974
Energy: 1.709182501946527
Energy: 1.5720052751922602
Energy: 1.51095047519181
Energy: 1.7035134099211682
Energy: 1.6185865901758487
Energy: 1.5720052751922602
Energy: 1.51095047519181
Energy: 1.7035134099211682
Energy: 1.4837584263634445
Energy: 1.5110016631491314
Energy: 1.6717306310651083
Energy: 1.51786428553229
Energy: 1.4837584263634445
Energy: 1.5110016631491314
Energy: 1.6717306310651083
Energy: 1.5715756762764237
Energy: 1.4992500665525543
Energy: 1.7402137822975208
Energy: 1.6133415951632917
Energy: 1.5715756762764237
Energy: 1.4992500665525543
Energy: 1.7402137822975208
Energy: 1.6036083573459168
Energy: 1.5167916318048058
Energy: 1.6764781500165342
Energy: 1.5108495090860927
Energy: 1.6036083573459168
Energy: 1.516791631808184
Energy: 1.6764781500165342
Energy: 1.5957207822274264
Energy: 1.5882803078155194
Energy: 1.7067251108489314
Energy: 1.6684749040886444
Energy: 1.5957207822274264
Energy: 1.5882803078155194
Energy: 1.7067251108489314
Energy: 1.592019497171692
Energy: 1.595109037287933
Energy: 1.7645747034899912
Energy: 1.5867889442344947
Energy: 1.592019497171692
Energy: 1.595109037287933
Energy: 1.7645747034899912
Energy: 1.6599590559104889
Energy: 1.56798290461566
Energy: 1.6776817318758792
Energy: 1.673569810912368
Energy: 1.6599590559138673
Energy: 1.56798290461566
Energy: 1.6776817318758792
Energy: 1.5660277438048775
Energy: 1.6601155580500035
Energy: 1.7138865129465533
Energy: 1.6566046501298626
Energy: 1.5660277438048775
Energy: 1.6601155580500035
Energy: 1.7138865129431748
Energy: 1.6761152817937623
Energy: 1.5684686394455025
Energy: 1.6377410819199054
Energy: 1.676495692801867
Energy: 1.6761152817937623
Energy: 1.5684686394455025
Energy: 1.6377410819199054
Energy: 1.5512181359398622
Energy: 1.5936960064590528
Energy: 1.725446529144135
Energy: 1.5883466788950749
Energy: 1.5512181359432404
Energy: 1.5936960064590528
Energy: 1.725446529144135
Energy: 1.5632796149450927
Energy: 1.5690567199300243
Energy: 1.7188216316061844
Energy: 1.6751184223644398
Energy: 1.5632796149450927
Energy: 1.5690567199300243
Energy: 1.7188216316061844
Energy: 1.5681241565101764
Energy: 1.5060395882179805
Energy: 1.6860666761068768
Energy: 1.5494715741499987
Energy: 1.5681241565101764
Energy: 1.5060395882179805
Energy: 1.686066676110194
Energy: 1.5764490162543123
Energy: 1.5121164991135292
Energy: 1.7247774147261157
Energy: 1.6086247655532941
Energy: 1.5764490162543123
Energy: 1.5121164991135292
Energy: 1.7247774147261157
Energy: 1.530159238677739
Energy: 1.506279032792761
Energy: 1.604305563812769
Energy: 1.5203458524594835
Energy: 1.530159238677739
Energy: 1.506279032792761
Energy: 1.604305563812769
Energy: 1.5429828481164398
Energy: 1.5148364740710267
Energy: 1.688328713092762
Energy: 1.5903143510185014
Energy: 1.5429828481164398
Energy: 1.5148364740710267
Energy: 1.688328713092762
Energy: 1.5223453919966567
Energy: 1.5392227843749695
Energy: 1.5962187164092319
Energy: 1.4973470828301756
Energy: 1.5223453919966567
Energy: 1.5392227843749695
Energy: 1.5962187164092319
Energy: 1.5176743345550863
Energy: 1.5264091326096054
Energy: 1.687399676231329
Energy: 1.5973168106111226
Energy: 1.5176743345550863
Energy: 1.5264091326096054
Energy: 1.687399676231329
Energy: 1.5250141229232475
Energy: 1.5448024756100542
Energy: 1.6556155263232324
Energy: 1.4974464639595824
Energy: 1.5250141229232475
Energy: 1.5448024756100542
Energy: 1.6556155263232324
Energy: 1.504688388343843
Energy: 1.5851039768174733
Energy: 1.824438218440048
Energy: 1.5634256914270968
Energy: 1.504688388343843
Energy: 1.5851039768174733
Energy: 1.824438218440048
Energy: 1.5572249005830159
Energy: 1.6087148736867711
Energy: 1.6435381992736138
Energy: 1.5662695179966124
Energy: 1.5572249005830159
Energy: 1.6087148736867711
Energy: 1.6435381992736138
Energy: 1.6185182431104619
Energy: 1.5987526665249623
Energy: 1.8318671426252777
Energy: 1.563368117402725
Energy: 1.6185182431104619
Energy: 1.5987526665249623
Energy: 1.8318671426252777
Energy: 1.5339181114702087
Energy: 1.6351406301988434
Energy: 1.8156577372960843
Energy: 1.6511074053659878
Energy: 1.5339181114702087
Energy: 1.6351406301988434
Energy: 1.8156577372927059
Energy: 1.5965683589016408
Energy: 1.598791499527956
Energy: 1.7934447341599211
Energy: 1.590461388424066
Energy: 1.5965683589016408
Energy: 1.5987914995313344
Energy: 1.7934447341599211
Energy: 1.6107474817673255
Energy: 1.6031921375803309
Energy: 1.8084713564104273
Energy: 1.5557570996329928
Energy: 1.6107474817673255
Energy: 1.6031921375803309
Energy: 1.8084713564104273
Energy: 1.539482623616382
Energy: 1.586369439538057
Energy: 1.7843456016144348
Energy: 1.5873222111061323
Energy: 1.539482623616382
Energy: 1.586369439538057
Energy: 1.7843456016144348

minimum gb energy = 1.4837584263634445 eV
minimum distance =  2.19918542395308 Angstroms
sigma value = 365


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

Energy: 1.5792748293560164
Energy: 1.3721803355261613
Energy: 1.5415597493780966
Energy: 1.3721803355261613
Energy: 1.5792748293560164
Energy: 1.3721803355253994
Energy: 1.5508134243958818
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.6464029437095886
Energy: 1.3721803355269229
Energy: 1.5792748293575398
Energy: 1.3721803355269229
Energy: 1.488887199849925
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.526711369369613
Energy: 1.3721803355269229
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.520719361396208
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.5663446946897703
Energy: 1.3721803355261613
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.5663446946874855
Energy: 1.5792748293560164
Energy: 1.3721803355253994
Energy: 1.6774402530107333
Energy: 1.3721803355261613
Energy: 1.5792748293560164
Energy: 1.3721803355261613
Energy: 1.520719361398493
Energy: 1.579274829356778
Energy: 1.3721803355269229
Energy: 1.5207193614045522
Energy: 1.3721803355269229
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.526711369371898
Energy: 1.579274829356778
Energy: 1.3721803355253994
Energy: 1.5543821646477824
Energy: 1.3721803355253994
Energy: 1.579274829356778
Energy: 1.3721803355269229
Energy: 1.566344694701196
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.5981733566988
Energy: 1.3721803355261613
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.5267113693680894
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.4888871998514484
Energy: 1.3721803355261613
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.5207193614000165
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.6586866463316121
Energy: 1.3721803355261613
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.550813424490297
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.520719361405314
Energy: 1.3721803355269229
Energy: 1.5792748293575398
Energy: 1.3721803355253994
Energy: 1.520719361409884
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.4888871998506865
Energy: 1.3721803355253994
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.4888871998506865
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.5447774922508992
Energy: 1.3721803355261613
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.4888871998506865
Energy: 1.579274829356778
Energy: 1.3721803355269229
Energy: 1.488887199849925
Energy: 1.3721803355261613
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.4888871998506865
Energy: 1.5792748293575398
Energy: 1.3721803355253994
Energy: 1.488887199849925
Energy: 1.3721803355261613
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.4888871998506865
Energy: 1.579274829356778
Energy: 1.3721803355269229
Energy: 1.488887199849925
Energy: 1.3721803355261613
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.4888871998514484
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.488887199849925
Energy: 1.3721803355276845
Energy: 1.5792748293560164
Energy: 1.3721803355261613
Energy: 1.488887199849925
Energy: 1.579274829356778
Energy: 1.3721803355269229
Energy: 1.488887199849925
Energy: 1.3721803355261613
Energy: 1.5792748293575398
Energy: 1.3721803355261613
Energy: 1.488887199849925
Energy: 1.579274829356778
Energy: 1.3721803355253994
Energy: 1.488887199849925
Energy: 1.3721803355253994
Energy: 1.579274829356778
Energy: 1.3721803355253994
Energy: 1.4888871998491633
Energy: 1.5792748293575398
Energy: 1.3721803355253994
Energy: 1.4888871998506865
Energy: 1.3721803355269229
Energy: 1.579274829356778
Energy: 1.3721803355261613
Energy: 1.4888871998514484

minimum gb energy = 1.3721803355253994 eV
minimum distance =  2.31864770771726 Angstroms
sigma value = 23