Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432836338272
mass=55.845
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: 0.01859270437301441
Energy: 0.32566718671314293
Energy: 0.32566718671314293
Energy: 0.01859270437301441
Energy: 0.32566718671314293
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Energy: 0.01859270437301441
Energy: 0.32566718671314293
Energy: 0.32566718671314293
Energy: 0.01859270437301441
Energy: 0.3229114756669368
Energy: 0.022658750379059477
Energy: 0.3227407608845006
Energy: 0.3229114756669368
Energy: 0.022658750380508113
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Energy: 0.3229114756669368
Energy: 0.022658750379059477
Energy: 0.322740498750024
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Energy: 0.8072883933317266
Energy: 0.1933777397006244
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Energy: 0.32274057373289716
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Energy: 0.3227408034047942
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Energy: 0.01859270437301441
Energy: 0.32566718671314293
Energy: 0.32566718671314293
Energy: 0.01859270437301441
Energy: 0.32566718671314293
Energy: 0.32566718671314293
Energy: 0.018592704371565776
Energy: 0.32566718671314293
Energy: 0.32566718671314293
Energy: 0.01859270437301441
Energy: 0.3229114756669368
Energy: 0.022658750379059477
Energy: 0.32274049663886767
Energy: 0.3229114756669368
Energy: 0.022658750380508113
Energy: 0.3227400892750911
Energy: 0.3229114756669368
Energy: 0.022658750379059477
Energy: 0.32274058531684796
Energy: 0.3229114756669368
Energy: 0.8072696619708047
Energy: 0.1933777397006244
Energy: 0.3047119552906376
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Energy: 0.3047119105795127
Energy: 0.8073120166157839
Energy: 0.1933777397006244
Energy: 0.5190380378869669
Energy: 0.8075759160514817

minimum gb energy = 0.018592704371565776 eV
minimum distance =  2.30534083175185 Angstroms
sigma value = 3


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

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minimum gb energy = -0.9936082368166195 eV
minimum distance =  2.42274118337298 Angstroms
sigma value = 75


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

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minimum gb energy = 0.4516978515451692 eV
minimum distance =  2.30148379647758 Angstroms
sigma value = 105


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

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Energy: 0.10629611859967503
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Energy: 0.6222576007717996
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Energy: 0.7317400679688222
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Energy: 0.8791309031388035
Energy: 0.7317400679531955
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Energy: 0.70514171138874
Energy: 0.7060225298941918
Energy: 0.7364165676114808
Energy: 0.7051417114043667
Energy: 0.706022529890285
Energy: 0.7364165676153874
Energy: 0.7051417113731133
Energy: 0.7060225298883317
Energy: 0.7364165676134342
Energy: 0.7051417113906934
Energy: -0.23232274379841558
Energy: 0.8565894044018925
Energy: 0.7640892265611798
Energy: -0.2323228544040661
Energy: 0.8567773720421835
Energy: 0.7640892265631333
Energy: -0.2323229110296933
Energy: 0.8565894043999391
Energy: 0.7640892265631333
Energy: -0.23232280470388217
Energy: 0.8723854945275883
Energy: 0.4960074965916667
Energy: 0.82090178040377
Energy: 0.8723854945275883
Energy: 0.15177624814162005
Energy: 0.8209017804018167
Energy: 0.8723854945275883
Energy: 0.4960074965897133
Energy: 0.8209017804018167
Energy: 0.8723854945256349
Energy: 0.014194064724387886
Energy: -0.24844611035233904
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Energy: 0.01419406479076594
Energy: -0.1649397578234466
Energy: 0.013848324072855486
Energy: 0.01419406479076594
Energy: -0.24844604979446047
Energy: 0.013848322833052712
Energy: 0.01419406512073837

minimum gb energy = -0.24854753304172028 eV
minimum distance =  2.37695853682536 Angstroms
sigma value = 165


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

Energy: 0.9909447489598985
Energy: 0.8983900098044556
Energy: 0.8948539333700948
Energy: 0.9329216384230821
Energy: 0.8983901865821458
Energy: 0.8948539333721065
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Energy: 0.9199970336354494
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Energy: 0.919997033634779
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Energy: 0.8985833057538263
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Energy: 0.8947327334851356
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Energy: 0.9533353131665018
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Energy: 0.8880051084500887
Energy: 0.8961412454798008
Energy: 0.9090965629301542
Energy: 0.8772860455801749
Energy: 0.8961412454945538
Energy: 0.9090965629281426
Energy: 0.8772860455795044
Energy: 0.896141245484495
Energy: 0.9090965629301542
Energy: 0.8772860455801749
Energy: 0.8961412454972361
Energy: 0.9093371404481906
Energy: 0.8976108527855836
Energy: 0.8941486620869937
Energy: 0.9093371404488613
Energy: 0.8976108527862542
Energy: 0.8941486620836407
Energy: 0.9093371404488613
Energy: 0.8976108527842424
Energy: 0.8941486620836407
Energy: 0.9093371404481906
Energy: 0.8946385908498232
Energy: 0.9295490241294125
Energy: 0.9093841305288543
Energy: 0.8946385908498232
Energy: 0.9295490250021523
Energy: 0.9093841305301953
Energy: 0.8946385908491526
Energy: 0.9295490258728196
Energy: 0.909384130530866
Energy: 0.8946385908484822
Energy: 0.9329216384237525
Energy: 0.8983902572951117
Energy: 0.8948539333714358
Energy: 0.9329216384244233
Energy: 0.8983900494226782
Energy: 0.8948539333721065
Energy: 0.9329216384237525
Energy: 0.898390131899893
Energy: 0.8948539333714358
Energy: 0.9329216384244233

minimum gb energy = 0.8540001560513738 eV
minimum distance =  2.3645614065058 Angstroms
sigma value = 41


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

Energy: 0.7594782825587914
Energy: 0.7434895544659148
Energy: 0.7745225026674689
Energy: 0.743356646142435
Energy: 0.7434895544659148
Energy: 0.7745225026674689
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Energy: 0.7542171347729565
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Energy: 0.7590916861131521
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Energy: 0.6886756665713748
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Energy: 0.697607469229368
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Energy: 0.7873513509155033
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Energy: 0.7422251210210531
Energy: 0.7093046742749496
Energy: 0.7601270324984741
Energy: 0.6653696182957879
Energy: 0.7214837324642951
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Energy: 0.6653696182931861
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Energy: 0.7601270324932704
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Energy: 0.7214837324642951
Energy: 0.7601270324958723
Energy: 0.7737345529230946
Energy: 0.7236248487680513
Energy: 0.7352061463164451
Energy: 0.7737345529256964
Energy: 0.723624848773255
Energy: 0.7223301397601977
Energy: 0.7737345529230946
Energy: 0.723624848773255
Energy: 0.7352061463164451
Energy: 0.7737345529230946
Energy: 0.6631408247319874
Energy: 0.7620004473980884
Energy: 0.7617090420136274
Energy: 0.6631408247267837
Energy: 0.7988052485908792
Energy: 0.7360807618511875
Energy: 0.6631408247267837
Energy: 0.762000447447523
Energy: 0.7617090420110256
Energy: 0.6631408247293856
Energy: 0.6671881288099546
Energy: 0.7346669059530447
Energy: 0.7247839949370738
Energy: 0.6671881288125564
Energy: 0.7348652649950347
Energy: 0.7000671806770963
Energy: 0.6671881288099546
Energy: 0.7346669059556465
Energy: 0.7247839949370738
Energy: 0.6671881288073527
Energy: 0.6887005758070381
Energy: 0.7119630833347124
Energy: 0.7394740357904628
Energy: 0.6887005758044363
Energy: 0.7115659774229031
Energy: 0.7394740357904628
Energy: 0.6887005758044363
Energy: 0.7119630833347124
Energy: 0.7394740357904628
Energy: 0.6887005758044363
Energy: 0.7959010021653944
Energy: 0.6975961682447687
Energy: 0.7886800100845589
Energy: 0.7959010021653944
Energy: 0.6972622391620434
Energy: 0.7886800100845589
Energy: 0.7959010021627926
Energy: 0.6975961682473231
Energy: 0.7886800100793552
Energy: 0.7959010021653944
Energy: 0.7030838292544132
Energy: 0.7577111382626716
Energy: 0.6964989822592558
Energy: 0.7030838295014922
Energy: 0.7577111382626716
Energy: 0.6964989822618575
Energy: 0.7030838291764057
Energy: 0.7577111382600697
Energy: 0.6964989822592558
Energy: 0.703083829342828

minimum gb energy = 0.6617372833135798 eV
minimum distance =  2.37123697705582 Angstroms
sigma value = 185


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

Energy: 0.7711261654312822
Energy: 0.335694599464142
Energy: 0.3341875008204002
Energy: 0.515381080057045
Energy: 0.33569459946537744
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Energy: 0.5287784164306277
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Energy: 0.43502666924392935
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Energy: 0.4536840678774025
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Energy: 0.34208353454982426
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Energy: 0.38722898964397523
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Energy: 0.33422995255490534
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Energy: 0.3332255141587917
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Energy: 0.333192833984193
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Energy: 0.33569459946352426
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Energy: 0.38957916147620797
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Energy: 0.33358690545443986
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Energy: 0.4988672161680084
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Energy: 0.41608228583777596
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Energy: 0.4160822858387306
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Energy: 0.3508941660797718
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Energy: 0.35089416608005264
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Energy: 0.4558430515702594
Energy: 0.3400085262616704
Energy: 0.33180962153631377
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Energy: 0.3400085262619512
Energy: 0.33180962153631377
Energy: 0.45584305157059635
Energy: 0.34000852626290584
Energy: 0.3318096215369315
Energy: 0.45584305157059635
Energy: 0.4988672161680084
Energy: 0.3948062904856017
Energy: 0.3319715521157936
Energy: 0.49886721616772756
Energy: 0.3948062904858824
Energy: 0.3319715521145582
Energy: 0.4988672161680084
Energy: 0.39480629048711785
Energy: 0.3319715521136035
Energy: 0.4988672161658744
Energy: 0.33338510883102845
Energy: 0.2917410635115191
Energy: 0.33322551416002705
Energy: 0.33338510883012995
Energy: 0.2917410635118561
Energy: 0.33322551415789325
Energy: 0.3333851088307477
Energy: 0.2917410635155623
Energy: 0.3332255141587917
Energy: 0.333385108831983
Energy: 0.43987595721785655
Energy: 0.5095154041568629
Energy: 0.33319283398391225
Energy: 0.43987595721942885
Energy: 0.5095154041556277
Energy: 0.333192833984193
Energy: 0.4398759572181935
Energy: 0.5095154041571999
Energy: 0.33319283398357535
Energy: 0.4398759572175758

minimum gb energy = 0.29148189369594457 eV
minimum distance =  2.38584653209204 Angstroms
sigma value = 33


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

Energy: 0.5223755181101338
Energy: 0.6413181949666977
Energy: 0.6411580338716224
Energy: 0.5223755198336867
Energy: 0.6413181949666977
Energy: 0.6411580338716224
Energy: 0.5223755181762274
Energy: 0.6413181949666977
Energy: 0.6411580338716224
Energy: 0.5223755174474708
Energy: 0.6258401901719796
Energy: 0.6404258420374646
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Energy: 0.6258401901736751
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Energy: 0.5979181725298476
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Energy: 0.7264605178117515
Energy: 0.6387689158087383
Energy: 0.6526110423412677
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Energy: 0.65929705311143
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Energy: 0.6283646452925559
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Energy: 0.6395615081254449
Energy: 0.6103592148231541
Energy: 0.7046936645640334
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Energy: 0.420381157358972
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Energy: 0.4203811573606367
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Energy: 0.6502135346361957
Energy: 0.6430680226061738
Energy: 0.6419752835949912
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Energy: 0.6430680226078693
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Energy: 0.5554719718947695
Energy: 0.5344400954402737
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Energy: 0.555471971896465
Energy: 0.5344400954368828

minimum gb energy = 0.0782830260175158 eV
minimum distance =  2.27629517830313 Angstroms
sigma value = 219


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

Energy: 1.0298562246208391
Energy: 0.9423836368270039
Energy: 0.942121647223791
Energy: 1.0298562246208391
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Energy: 0.9130238429885207
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Energy: 1.0358171480546636
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Energy: 1.0263854851760117
Energy: 1.0358171480546636
Energy: 0.8917998209947098
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Energy: 1.0358171480546636
Energy: 1.0146764162531385
Energy: 1.042866477341287
Energy: 0.9216389928879113
Energy: 1.0146764162531385
Energy: 1.042866477341287
Energy: 0.9216389928879113
Energy: 1.0146764162531385
Energy: 1.042866477340165
Energy: 0.9216389928879113
Energy: 1.0146764162531385
Energy: 0.9312677385168088
Energy: 0.9304456100705923
Energy: 0.9406559259030693
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Energy: 0.9304456100705923
Energy: 0.9406559259030693
Energy: 0.9312677385168088
Energy: 0.9304456100705923
Energy: 0.9406559259030693
Energy: 0.9312677385168088

minimum gb energy = 0.8917998209947098 eV
minimum distance =  2.29738363187493 Angstroms
sigma value = 15


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

Energy: 1.203059892133033
Energy: 1.0942830955974638
Energy: 1.1075742838204683
Energy: 1.1143086755016496
Energy: 1.094283095595432
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Energy: 1.2030598921434184
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Energy: 1.0878517470367535
Energy: 1.1481953749417788
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Energy: 1.0878517470346465
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Energy: 1.092366918928498
Energy: 1.0882934475211214
Energy: 1.1570903423613605
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Energy: 1.0884223292365305
Energy: 1.1570903423572214
Energy: 1.092366918928498
Energy: 1.0882934475273676
Energy: 1.1570903423530825
Energy: 1.092366918928498
Energy: 1.1436566524540188
Energy: 1.0258144991751035
Energy: 1.082351064137454
Energy: 1.1436566524540188
Energy: 1.0258144991729963
Energy: 1.082351064137454
Energy: 1.1436566524540188
Energy: 1.0258144991709643
Energy: 1.082351064139486
Energy: 1.1436566524560505
Energy: 1.1048316824419229
Energy: 1.1603557234781605
Energy: 1.060571135197251
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minimum gb energy = 1.0077512814564176 eV
minimum distance =  2.32334821215142 Angstroms
sigma value = 293


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

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Energy: 1.1622184949848675
Energy: 1.0834938672339571
Energy: 1.1151732882808947
Energy: 1.1622184949850975
Energy: 1.0834938672352477
Energy: 1.1151732882808947
Energy: 1.162218494984084
Energy: 1.0834938672332202
Energy: 1.186636004883332
Energy: 0.9542817938434756
Energy: 1.0458545089324505
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Energy: 0.9542817938449965
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Energy: 1.0968992604822814
Energy: 1.2478763652857328
Energy: 1.1530284522414296
Energy: 1.0839598126760925
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Energy: 1.1530284522419365
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Energy: 1.15302845224166
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Energy: 1.2478763652862397
Energy: 0.9728595369815864
Energy: 1.165296083815106
Energy: 1.0902248619271455
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Energy: 1.165296083818424
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Energy: 0.9728595369813098
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Energy: 0.9728595369797892
Energy: 1.1323904828942435
Energy: 0.9716179974398785
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Energy: 1.1323904828929992
Energy: 0.9716179974403852
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Energy: 1.132390482893506
Energy: 1.163950222164492
Energy: 1.1891320483906886
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Energy: 1.1467171257244368
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Energy: 1.0923655143039004
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Energy: 1.1891320483906886
Energy: 1.0923655143056517
Energy: 1.1467171257246673
Energy: 1.129894380478667
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Energy: 1.0942594650638466
Energy: 1.1110199954574822
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Energy: 1.0882281615236171
Energy: 1.094259465062602
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Energy: 1.1564915164941671
Energy: 1.0924515375643635
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Energy: 1.1564915164926466
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Energy: 1.1528141140396027
Energy: 1.1564915164941671
Energy: 1.092451537565147
Energy: 1.1528141140385888
Energy: 1.1564915164941671
Energy: 1.1353546656101159
Energy: 1.083752285943289
Energy: 0.9733803766367728
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Energy: 1.0833338032821553
Energy: 0.9733803766377866
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Energy: 1.0837522859412616
Energy: 0.9733803766388004
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Energy: 1.2080269240469566
Energy: 1.093362995911256
Energy: 1.1149734961232065
Energy: 1.208026924045943
Energy: 1.093362995911763
Energy: 1.11497349612293
Energy: 1.2080269240456663
Energy: 1.093362995911256
Energy: 1.1149734961249578
Energy: 1.20802692404668
Energy: 1.0978482436347226
Energy: 1.157000131343098
Energy: 0.9192006473046859
Energy: 1.0978482436365198
Energy: 1.1570001313448952
Energy: 0.919438979220914
Energy: 1.0978482436332015
Energy: 1.1570001313415772
Energy: 0.9192006473024278
Energy: 1.0978482436337085
Energy: 1.0834938672344643
Energy: 1.115173288283936
Energy: 1.1622184949853742
Energy: 1.0834938672334504
Energy: 1.1151732882808947
Energy: 1.1622184949833465
Energy: 1.0834938672347407
Energy: 1.1151732882819083
Energy: 1.162218494984084
Energy: 1.0834938672329435
Energy: 1.1866360048835627
Energy: 0.954281793844766
Energy: 1.0458545089326807
Energy: 1.186636004883332
Energy: 0.9542817938460102
Energy: 1.045854508932174
Energy: 1.1866360048843458
Energy: 0.9542817938467937
Energy: 1.0458545089336948
Energy: 1.186636004883332
Energy: 1.0917538482535898
Energy: 1.1399783364424658
Energy: 1.10749621888934
Energy: 1.0917538482523457
Energy: 1.1399783364444938
Energy: 1.1074962188888329
Energy: 1.0917538482528524
Energy: 1.1399783364421896
Energy: 1.1074962188908606
Energy: 1.0917538482546036
Energy: 1.09689926048053
Energy: 0.8957056695947534
Energy: 1.1026663053124741
Energy: 1.0968992604800232
Energy: 0.8957056695957673
Energy: 1.102666305313488
Energy: 1.0968992604807606
Energy: 0.8957056695957673
Energy: 1.102666305312244
Energy: 1.0968992604822814
Energy: 1.2478763652862397
Energy: 1.1530284522429506
Energy: 1.095087935923548
Energy: 1.2478763652870233
Energy: 1.1530284522419365
Energy: 1.0993364464171835
Energy: 1.2478763652877605
Energy: 1.1530284522411531
Energy: 1.095087935923041
Energy: 1.2478763652872535
Energy: 0.9728595369813098
Energy: 1.1652960838166269
Energy: 1.0902248619269153
Energy: 0.9728595369826001
Energy: 1.165296083818424
Energy: 1.0902248619264083
Energy: 0.9728595369826001
Energy: 1.165296083818424
Energy: 1.0902248619264083
Energy: 0.9728595369805724

minimum gb energy = 0.8957056695947534 eV
minimum distance =  2.21277796602833 Angstroms
sigma value = 293


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

Energy: 1.193324677237694
Energy: 1.2158602679578345
Energy: 1.2160263782184755
Energy: 1.193324677237236
Energy: 1.2158602679587507
Energy: 1.2160263782180174
Energy: 1.193324677237236
Energy: 1.2158602679582926
Energy: 1.2160263782184755
Energy: 1.193324677237694
Energy: 1.213372525325604
Energy: 1.1911165258433365
Energy: 1.2150418155912963
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Energy: 1.215041815590838
Energy: 1.2133725253260623
Energy: 1.1911165258744871
Energy: 1.215041815589922
Energy: 1.2133725253265204
Energy: 1.2139880062961148
Energy: 1.2137208081682678
Energy: 1.0865504597732785
Energy: 1.2139880062947404
Energy: 1.2137208081691837
Energy: 1.0869032792925393
Energy: 1.2139880062961148
Energy: 1.213720808169642
Energy: 1.086788205719894
Energy: 1.2139880062951984
Energy: 1.0856466144877697
Energy: 1.2136103745166713
Energy: 1.2139036196798707
Energy: 1.0856818923510967
Energy: 1.2136103745166713
Energy: 1.2139036196789545
Energy: 1.0863027282605864
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Energy: 1.1296732930693973
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Energy: 1.193324677237236
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Energy: 1.2158602679578345
Energy: 1.2160263782184755
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Energy: 1.2158602679578345
Energy: 1.1911165259720207
Energy: 1.215041815589922
Energy: 1.2133725253274366
Energy: 1.1911165259871381
Energy: 1.2150418155912963
Energy: 1.2133725253274366
Energy: 1.191116525999507
Energy: 1.2150418155917542
Energy: 1.2133725253265204
Energy: 1.191116526041152
Energy: 1.2137208081687256
Energy: 1.129261970270817
Energy: 1.2139880062970307
Energy: 1.2137208081682678
Energy: 1.0854543308070848
Energy: 1.2139880062951984
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Energy: 1.0872696307601375
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Energy: 1.2137208081691837
Energy: 1.2136103745162132
Energy: 1.2139036196784962
Energy: 1.0863405577822718
Energy: 1.2136103745166713
Energy: 1.2139036196784962
Energy: 1.0843823012874316
Energy: 1.2136103745162132
Energy: 1.2139036196784962
Energy: 1.0855509675358317
Energy: 1.2136103745166713
Energy: 1.1910987874938674
Energy: 1.2145044017928905
Energy: 1.2149719085445658
Energy: 1.1910987872479932
Energy: 1.2145044017928905
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Energy: 1.1910987865181168
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Energy: 1.1933246772367778
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Energy: 1.2158602679578345
Energy: 1.2160263782184755
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Energy: 1.2158602679592088
Energy: 1.2160263782184755
Energy: 1.2150418155903802
Energy: 1.213372525325604
Energy: 1.1911165261199033
Energy: 1.215041815590838
Energy: 1.2133725253242298
Energy: 1.191116526131814
Energy: 1.2150418155912963
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Energy: 1.215041815590838
Energy: 1.1292889490965314
Energy: 1.2139880062956567
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Energy: 1.2139880062956567
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Energy: 1.1292898812128511
Energy: 1.2139880062951984
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Energy: 1.1288499581480729
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Energy: 1.128793820864634
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Energy: 1.2139036196784962
Energy: 1.1295303367775653
Energy: 1.2136103745166713
Energy: 1.2139036196794126
Energy: 1.0866326976247136
Energy: 1.2136103745166713
Energy: 1.2139036196784962
Energy: 1.2145044017928905
Energy: 1.2149719085431918
Energy: 1.1910987847780905
Energy: 1.2145044017919742
Energy: 1.21497190854365
Energy: 1.1910987847794647
Energy: 1.2145044017924322
Energy: 1.2149719085431918
Energy: 1.1910987848545513
Energy: 1.2145044017919742
Energy: 1.1933246772367778
Energy: 1.2158602679596668
Energy: 1.2160263782189336
Energy: 1.193324677237236
Energy: 1.2158602679592088
Energy: 1.2160263782189336
Energy: 1.193324677237236
Energy: 1.2158602679587507
Energy: 1.2160263782189336
Energy: 1.1933246772367778
Energy: 1.2133725253265204
Energy: 1.1911165262508778
Energy: 1.215041815589922
Energy: 1.213372525325604
Energy: 1.1911165262907326
Energy: 1.2150418155917542
Energy: 1.2133725253251462
Energy: 1.1911165262760735
Energy: 1.2150418155922122
Energy: 1.2133725253269785
Energy: 1.2139880062956567
Energy: 1.2137208081682678
Energy: 1.1297197997995654
Energy: 1.2139880062951984
Energy: 1.2137208081682678
Energy: 1.1297162987241998
Energy: 1.2139880062965729
Energy: 1.2137208081682678
Energy: 1.1297143277652237
Energy: 1.2139880062951984
Energy: 1.1297265000707983
Energy: 1.2136103745166713
Energy: 1.2139036196807869
Energy: 1.129760346519845
Energy: 1.2136103745166713
Energy: 1.2139036196807869
Energy: 1.129722308307217
Energy: 1.2136103745166713
Energy: 1.213903619680329
Energy: 1.1297531880339586
Energy: 1.2149719085441077
Energy: 1.1910987823659087
Energy: 1.2145044017928905
Energy: 1.21497190854365
Energy: 1.1910987821864172
Energy: 1.2145044017933484
Energy: 1.2149719085445658
Energy: 1.191098782213445
Energy: 1.2145044017928905
Energy: 1.21497190854365
Energy: 1.2158602679592088
Energy: 1.2160263782184755
Energy: 1.193324677237236
Energy: 1.2158602679587507
Energy: 1.2160263782193916
Energy: 1.193324677237236
Energy: 1.2158602679587507
Energy: 1.2160263782184755
Energy: 1.193324677237236
Energy: 1.2158602679587507
Energy: 1.1911165263754393
Energy: 1.2150418155917542
Energy: 1.2133725253278946
Energy: 1.191116526378646
Energy: 1.2150418155912963
Energy: 1.2133725253265204
Energy: 1.1911165263946792
Energy: 1.215041815590838
Energy: 1.213372525325604
Energy: 1.1911165264060901

minimum gb energy = 1.0843823012874316 eV
minimum distance =  2.36497529738813 Angstroms
sigma value = 15


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

Energy: 1.1731418644613354
Energy: 1.0771401978345978
Energy: 1.1302478563062357
Energy: 1.117708295497591
Energy: 1.0771402026168284
Energy: 1.1302478563103886
Energy: 1.1731418644592588
Energy: 1.0771402052861077
Energy: 1.1302478563041591
Energy: 1.117708295497591
Energy: 1.1187192695064916
Energy: 1.0680961327443894
Energy: 1.062463721324951
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Energy: 1.1201382544190595
Energy: 1.0762232586307081
Energy: 1.0445036666679133
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Energy: 1.069765834238545
Energy: 1.0756495996963333
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Energy: 1.0646564111788088
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Energy: 1.064504345179156
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Energy: 1.0688800273993229
Energy: 1.0869010964616024
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Energy: 1.1062873973560583
Energy: 1.1165176231432095
Energy: 1.0699612158140983
Energy: 1.159901114165603
Energy: 1.1165176231452858
Energy: 1.0699612158140983
Energy: 1.1599011141614501
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Energy: 1.0699612158140983
Energy: 1.15990111416768
Energy: 1.1165176231432095
Energy: 1.0687241915565644
Energy: 1.195651916382899
Energy: 1.0656792004588516
Energy: 1.068724191552449
Energy: 1.1956519163808221
Energy: 1.0656792004630045
Energy: 1.0687241915565644
Energy: 1.1956519163849757
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Energy: 1.0687241915565644
Energy: 1.1108506435654657
Energy: 1.0963089881581365
Energy: 1.065272361168368
Energy: 1.1117554515567578
Energy: 1.095824822941264
Energy: 1.0652723610355441
Energy: 1.110850643569619
Energy: 1.0963089881581365
Energy: 1.06527236094629
Energy: 1.1117554515526047
Energy: 1.0657986626496012
Energy: 1.0744417970737719
Energy: 1.0594879666068402
Energy: 1.0657986626475249
Energy: 1.0744417970758484
Energy: 1.0594879666068402
Energy: 1.0657986626537543
Energy: 1.0744417970758484
Energy: 1.0594879666089168
Energy: 1.0657986626475249
Energy: 1.12295664031064
Energy: 1.111807939354687
Energy: 1.0779486842270818
Energy: 1.1229566403127167
Energy: 1.111807939354687
Energy: 1.0779486842250052
Energy: 1.1229566403127167
Energy: 1.1118079393526104
Energy: 1.0779486842250052
Energy: 1.1229566403127167
Energy: 1.021762766085859
Energy: 1.080567066610106
Energy: 1.0903512472720072
Energy: 1.0219305447352331
Energy: 1.080567066610106
Energy: 1.1048248256932611
Energy: 1.0217627660879356
Energy: 1.0805670666080294
Energy: 1.0903512472740837
Energy: 1.0219305447373095
Energy: 1.21402504811163
Energy: 1.0604488261959841
Energy: 1.1178056832375813
Energy: 1.2140250481137065
Energy: 1.0604488261939078
Energy: 1.1178056832417345
Energy: 1.2140250481137065
Energy: 1.0604488261939078
Energy: 1.1178056832417345
Energy: 1.2140250481137065
Energy: 1.1674027812154473
Energy: 1.1554663118185529
Energy: 1.1308806080609848
Energy: 1.1674027812154473
Energy: 1.1554663118206294
Energy: 1.1308806080651006
Energy: 1.1674027812133707
Energy: 1.1554663118206294
Energy: 1.1308806080651006
Energy: 1.1674027812154473
Energy: 1.1042066084804532
Energy: 1.0646187899069854
Energy: 1.101959820956785
Energy: 1.1232927315497727
Energy: 1.064490696941602
Energy: 1.101959820960938
Energy: 1.1042066084825297
Energy: 1.0646187899028323
Energy: 1.101959820960938
Energy: 1.1232927315476962
Energy: 1.0841411488662402
Energy: 1.0536636450360357
Energy: 1.098259593482008
Energy: 1.0841411488683166
Energy: 1.0536636450360357
Energy: 1.0982595934799317
Energy: 1.0841411488703934
Energy: 1.0536636450381125
Energy: 1.098259593482008
Energy: 1.0841411488641637
Energy: 1.144185151136685
Energy: 1.0779296361486455
Energy: 1.0855148620333954
Energy: 1.1441851511387613
Energy: 1.0779296361444923
Energy: 1.0855667102294433
Energy: 1.1441851511387613
Energy: 1.0779296361444923
Energy: 1.0855148620333954
Energy: 1.1441851511429144
Energy: 1.067182220260778
Energy: 1.1344840503862699
Energy: 1.078216745854928
Energy: 1.0671822202628543
Energy: 1.1344840503883462
Energy: 1.0782167458528515
Energy: 1.0671822202587011
Energy: 1.1344840503862699
Energy: 1.078216745850775
Energy: 1.0671822202628543
Energy: 1.1132886973122111
Energy: 1.1023695900033414
Energy: 1.0718182482448637
Energy: 1.0820371946988276
Energy: 1.1023695900033414
Energy: 1.0718182482427872
Energy: 1.1132886973101346
Energy: 1.1023695900074946
Energy: 1.0718182482448637
Energy: 1.082037194696751
Energy: 1.0892605933344262
Energy: 1.060104342925855
Energy: 1.094699151356331
Energy: 1.0822749416876378
Energy: 1.0601043429237784
Energy: 1.10350452734336
Energy: 1.0892605933365027
Energy: 1.060104342925855
Energy: 1.0946991513584072
Energy: 1.0822749416897144
Energy: 1.0648551642168937
Energy: 1.2548746093993053
Energy: 1.1106613048191218
Energy: 1.0648551642168937
Energy: 1.2548746093993053
Energy: 1.1106613048191218
Energy: 1.06485516421897
Energy: 1.2548746093993053
Energy: 1.1106613048191218
Energy: 1.0648551642148172
Energy: 1.1114130116283703
Energy: 1.086789061858133
Energy: 1.0602912626476106
Energy: 1.1114130116283703
Energy: 1.0867890618560567
Energy: 1.0602912626725294
Energy: 1.1114130116262937
Energy: 1.086789061858133
Energy: 1.0602912627140606
Energy: 1.1114130116283703
Energy: 1.0950422022965534
Energy: 1.067696343481172
Energy: 1.0667542769354983
Energy: 1.0950422022965534
Energy: 1.0676963434832487
Energy: 1.069189286339112
Energy: 1.09504220229863
Energy: 1.0676963434790954
Energy: 1.0667542769375749
Energy: 1.0950422022965534
Energy: 1.1445594361466682
Energy: 1.1280091241510724
Energy: 1.0646279427345573
Energy: 1.1445594361466682
Energy: 1.1280091241489958
Energy: 1.0646279427387102
Energy: 1.1445594361445917
Energy: 1.1280091241510724
Energy: 1.0646279427366339
Energy: 1.1445594361445917
Energy: 1.092935747089089
Energy: 1.149875475394986
Energy: 1.1295999163695478
Energy: 1.092935747089089
Energy: 1.1498754753929092
Energy: 1.1295999163757395
Energy: 1.0929357470911656
Energy: 1.149875475394986
Energy: 1.1295999163757395
Energy: 1.0929357470870127
Energy: 1.1377236578900376
Energy: 1.0848113280129188
Energy: 1.0659478317373337
Energy: 1.1377236578879613
Energy: 1.0848113280129188
Energy: 1.065947831735257
Energy: 1.1377236578900376
Energy: 1.0848113280149954
Energy: 1.065947831735257
Energy: 1.1377236578900376
Energy: 1.0248192608962619
Energy: 1.121573319752974
Energy: 1.0825147102225179
Energy: 1.0248192608941853
Energy: 1.1215733197508975
Energy: 1.0825147102100963
Energy: 1.024819260890032
Energy: 1.1215733197508975
Energy: 1.0825147102100963
Energy: 1.0248192608921087
Energy: 1.1029640679761807
Energy: 1.0990581186780566
Energy: 1.1138659745988158
Energy: 1.1029640679761807
Energy: 1.104473298228229
Energy: 1.0982917957621288
Energy: 1.1029640679761807
Energy: 1.0990581186780566
Energy: 1.1138659745946626
Energy: 1.1029640679741042
Energy: 1.1541651686977012
Energy: 1.0556976355233105
Energy: 1.0459013898807585
Energy: 1.1541651686956245
Energy: 1.0556976355233105
Energy: 1.04590139001985
Energy: 1.1541651686977012
Energy: 1.055697635521234
Energy: 1.0459013901422913
Energy: 1.1541651686977012
Energy: 1.0977452121431521
Energy: 1.269863085481137
Energy: 1.1028963500367266
Energy: 1.0977452121431521
Energy: 1.2698630854832136
Energy: 1.10289635003465
Energy: 1.097745212145229
Energy: 1.269863085481137
Energy: 1.1028963500367266
Energy: 1.0977452121431521
Energy: 1.100139139267737
Energy: 1.0711419180216015
Energy: 1.1452599140385067
Energy: 1.1001391392656605
Energy: 1.0708520921487803
Energy: 1.1452599139679416
Energy: 1.1001391392656605
Energy: 1.0711419180257549
Energy: 1.1452599139347166
Energy: 1.1001391392656605
Energy: 1.0658509956815498
Energy: 1.0740173617775104
Energy: 1.1036688401274468
Energy: 1.0658509956815498
Energy: 1.0740173617754338
Energy: 1.1036688401274468
Energy: 1.0658509956815498
Energy: 1.0740173617775104
Energy: 1.1036688401253703
Energy: 1.0658509956815498
Energy: 1.11655621183902
Energy: 1.0418784858057137
Energy: 1.083526291375462
Energy: 1.1165562118369434
Energy: 1.04187848581402
Energy: 1.083534800202594
Energy: 1.11655621183902
Energy: 1.0418784858057137
Energy: 1.0835262913733854
Energy: 1.11655621183902
Energy: 1.0639052470765182
Energy: 1.0569524848296146
Energy: 1.0866654593624188
Energy: 1.0639052470765182
Energy: 1.0569524848296146
Energy: 1.0866654593624188
Energy: 1.0639052470806711
Energy: 1.0569524848316911
Energy: 1.0866654593644953
Energy: 1.0639052470765182
Energy: 1.082382642202072
Energy: 1.1542104772660589
Energy: 1.1450929808159696
Energy: 1.082382642202072
Energy: 1.1542104772639823
Energy: 1.145092980813893
Energy: 1.0823826422041483
Energy: 1.1542104772619057
Energy: 1.1450929808118167
Energy: 1.082382642202072

minimum gb energy = 1.0210152263880496 eV
minimum distance =  2.29465370883514 Angstroms
sigma value = 437


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

Energy: 0.990364061933861
Energy: 1.046935738397908
Energy: 1.0466517217271827
Energy: 0.9903640619331043
Energy: 1.046935738387317
Energy: 1.0466517217271827
Energy: 0.9903640619315913
Energy: 1.0469357383926128
Energy: 1.0466517217264262
Energy: 0.990364061933861
Energy: 1.1002505252151666
Energy: 0.9727084121827854
Energy: 0.9718765597655333
Energy: 1.1002505252151666
Energy: 0.972708412183542
Energy: 0.9718765597655333
Energy: 1.1002505252151666
Energy: 0.9727084121827854
Energy: 0.9718765597655333
Energy: 1.1002505252151666
Energy: 1.0299487751266887
Energy: 0.9654026654393411
Energy: 1.0467804392482107
Energy: 1.0299487751266887
Energy: 0.9654026654393411
Energy: 1.0467804392489672
Energy: 1.0299487751266887
Energy: 0.9654026654385846
Energy: 1.0467804392482107
Energy: 1.0299487751274452
Energy: 1.091231372058408
Energy: 1.0038676733785736
Energy: 0.9849296125623397
Energy: 1.0912313720591647
Energy: 1.0038676733770606
Energy: 0.9849296125623397
Energy: 1.091231372058408
Energy: 1.0038676733778171
Energy: 0.9849296125615832
Energy: 1.0912313720591647
Energy: 1.0210139449174063
Energy: 0.9898406183560489
Energy: 1.1266714427508748
Energy: 1.0210139449189195
Energy: 0.9898406183545357
Energy: 1.1266714427516311
Energy: 1.0210139449181628
Energy: 0.9898406183552922
Energy: 1.1266714427508748
Energy: 1.0210139449181628
Energy: 0.9763612073298156
Energy: 1.0005383541321657
Energy: 0.972598015290272
Energy: 0.9763612073290591
Energy: 1.000538354133679
Energy: 0.9725980152910286
Energy: 0.9763612073298156
Energy: 1.0005383541321657
Energy: 0.972598015290272
Energy: 0.9763612073290591
Energy: 1.0141852405752707
Energy: 0.9732470200266283
Energy: 0.9681716172597848
Energy: 1.0141852405389575
Energy: 0.9732470200266283
Energy: 0.9681716172597848
Energy: 1.0141852405163305
Energy: 0.973247020027385
Energy: 0.9681716172597848
Energy: 1.0141852405389575
Energy: 0.9868697632207778
Energy: 1.1617980908213545
Energy: 0.9871380794407085
Energy: 0.9868697632215343
Energy: 1.161798090822111
Energy: 0.9871380794837618
Energy: 0.9868697632207778
Energy: 1.1617980908213545
Energy: 0.9871380793922909
Energy: 0.9868697632207778
Energy: 1.1533680454126038
Energy: 0.9895883669129023
Energy: 0.9901484516641132
Energy: 1.1533680454118473
Energy: 0.9895883669136588
Energy: 0.9901484516641132
Energy: 1.1533680454118473
Energy: 0.9895883669129023
Energy: 0.9901484516641132
Energy: 1.1533680454118473
Energy: 1.0898875047165055
Energy: 1.0007248524742491
Energy: 1.0988137511712643
Energy: 1.0898875047142358
Energy: 1.0007248523842913
Energy: 1.0988137511727774
Energy: 1.0898875047149925
Energy: 1.0007248524032044
Energy: 1.0988137511712643
Energy: 1.0898875047149925
Energy: 1.0134935439318966
Energy: 1.0242492805571917
Energy: 0.9725646072863551
Energy: 1.0134935439318966
Energy: 1.0242492805571917
Energy: 0.972564607287868
Energy: 1.0134935439326531
Energy: 0.9557387891692677
Energy: 0.9725646072863551
Energy: 1.0134935439318966
Energy: 1.0003310439670272
Energy: 0.9607612687862475
Energy: 1.0229783540298636
Energy: 1.0003310439677837
Energy: 0.9607612687862475
Energy: 1.0229783540298636
Energy: 1.0003310439685402
Energy: 0.9607612687862475
Energy: 1.0229783540298636
Energy: 1.0003310439670272
Energy: 0.9901426798328675
Energy: 1.2043180977963261
Energy: 0.9900642932647632
Energy: 0.9901426798328675
Energy: 1.2043180977955699
Energy: 0.9900642932647632
Energy: 0.9901426798328675
Energy: 1.2043180977948131
Energy: 0.9900642932647632
Energy: 0.9901426798328675
Energy: 0.9648859686426011
Energy: 0.9646884256625381
Energy: 0.9886555853436984
Energy: 0.9648859686418446
Energy: 0.9646884256625381
Energy: 0.9886555853883333
Energy: 0.9648859686426011
Energy: 0.9646884256625381
Energy: 0.9886555853610984
Energy: 0.964885968641088

minimum gb energy = 0.9557387891692677 eV
minimum distance =  2.20515694971267 Angstroms
sigma value = 33