Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001
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=3.917371571063995
cohesive_energy=5.770453839400052
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: 0.023281969699931633
Energy: 0.7105516674224291
Energy: 0.42273440990415023
Energy: 0.7103837269867016
Energy: 0.02328196969779953
Energy: 0.7105516674245612
Energy: 0.7718025668583188
Energy: 0.7716790354271199
Energy: 0.023401422450194324
Energy: 0.3809467649470794
Energy: 0.02359406823573057
Energy: 0.7716790354271199
Energy: 0.023401422450194324
Energy: 0.3809467649470794
Energy: 0.023281969699931633
Energy: 0.7105516674224291
Energy: 0.42273440990628236
Energy: 0.7103837269867016
Energy: 0.023281969699931633
Energy: 0.7105516674245612
Energy: 0.7718025668583188
Energy: 0.7716790354271199
Energy: 0.02340142245232643
Energy: 0.3809467649470794
Energy: 0.02359406823359846
Energy: 0.7716790354271199
Energy: 0.023401422450194324
Energy: 0.3809467649470794
Energy: 0.023281969699931633
Energy: 0.7105516674224291
Energy: 0.42273440990628236
Energy: 0.7103837269867016
Energy: 0.02328196969779953
Energy: 0.7105516674245612
Energy: 0.7718025668583188
Energy: 0.7716790354271199
Energy: 0.02340142245232643
Energy: 0.3809467649470794
Energy: 0.02359406823573057
Energy: 0.7716790354271199
Energy: 0.023401422450194324
Energy: 0.3809467649470794

minimum gb energy = 0.02328196969779953 eV
minimum distance =  2.7489574105384 Angstroms
sigma value = 5


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

Energy: 1.9639308692347601
Energy: 2.1059684980633797
Energy: 2.307213601158691
Energy: 2.119273198136621
Energy: 1.9639308692374122
Energy: 2.105968498052961
Energy: 2.334022876776807
Energy: 1.9140169969517984
Energy: 2.003849313980787
Energy: 2.1137068833410053
Energy: 1.9424678196023246
Energy: 1.9140169969543555
Energy: 2.0038493139859965
Energy: 2.1137068833410053
Energy: 1.9105941888386222
Energy: 1.984310855152244
Energy: 2.401926407079028
Energy: 2.003223983706763
Energy: 1.9105941888360647
Energy: 1.9843108551470343
Energy: 2.4019264070815853
Energy: 2.080221265442698
Energy: 2.0808919185758947
Energy: 2.294835716258299
Energy: 2.0496698353932237
Energy: 2.080221265442698
Energy: 2.0808919185811043
Energy: 2.2948357162608564
Energy: 1.9355223369522563
Energy: 1.8001657315218467
Energy: 2.384381662512978
Energy: 1.9837889214243476
Energy: 1.9355223369549084
Energy: 1.8001657315244985
Energy: 2.3843816625103265
Energy: 1.9149820711539611
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Energy: 2.233936825519256
Energy: 2.0237288696237714
Energy: 1.9149820711565189
Energy: 1.9612867949392456
Energy: 2.2339368255244656
Energy: 1.838612633751464
Energy: 2.0941242741602397
Energy: 2.380932654034685
Energy: 2.1500678350340503
Energy: 1.8386126337540216
Energy: 2.0941242741602397
Energy: 2.380932654042547
Energy: 1.8548218068258862
Energy: 1.8940846465690093
Energy: 2.4491724379000552
Energy: 1.9859970030605842
Energy: 1.8548218068362108
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Energy: 2.4491724378974036
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Energy: 1.9965303267063443
Energy: 1.8775375099837996
Energy: 1.9600290395470823
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Energy: 2.518046210241857
Energy: 2.031438217033434
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Energy: 2.518046210236647
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Energy: 1.9830349953881288
Energy: 2.1286251614507856
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Energy: 1.8994036122348383
Energy: 1.9830349953907809
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Energy: 1.9884517769262922
Energy: 2.012067761796979
Energy: 2.3263022530538913
Energy: 1.8767197528788016
Energy: 1.988451776931502
Energy: 2.0120677617892118
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Energy: 2.0627395187616164
Energy: 2.05998436046946
Energy: 2.2899193953034205
Energy: 2.0480928457896286
Energy: 2.0627395187590594
Energy: 2.059984360472112
Energy: 2.289919395305978
Energy: 1.8738006765561412
Energy: 2.062263262975539
Energy: 2.257643831397517
Energy: 1.940267613541728
Energy: 1.8738006765509316
Energy: 2.062263262967772
Energy: 2.257643831397517
Energy: 1.8732258237028363
Energy: 2.008712448717193
Energy: 2.16932619490781
Energy: 1.9781771931530303
Energy: 1.873225823708046
Energy: 2.008712448706774
Energy: 2.16932619490781
Energy: 1.9747523628654562
Energy: 2.1147194706122607
Energy: 2.399694297585486
Energy: 2.2669534280261585
Energy: 1.9747523628628036
Energy: 2.1147194706174703
Energy: 2.399694297585486
Energy: 1.9298129570219142
Energy: 1.910704208063859
Energy: 2.223601931558993
Energy: 1.9380941026394336
Energy: 1.9298129570114952
Energy: 1.910704208063859
Energy: 2.223601931558993
Energy: 1.9135824726520894
Energy: 1.9619524620696465
Energy: 2.4132474900983047
Energy: 2.0329540632451883
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Energy: 2.350830775010618
Energy: 2.0668852827117012
Energy: 1.8549550449276009
Energy: 2.080877455116032
Energy: 2.350830775010618
Energy: 1.9040232109362625
Energy: 1.7918384995368355
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Energy: 1.9886427640272022
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Energy: 2.429507521175974
Energy: 1.843861187431282
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Energy: 2.392429633739189
Energy: 1.833428060815256
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Energy: 2.067885475341584
Energy: 2.392429633739189
Energy: 1.84016422143892
Energy: 2.088784428328351
Energy: 2.363662265853625
Energy: 2.039121804405808
Energy: 1.8401642214467815
Energy: 2.0887844283257935
Energy: 2.363662265853625
Energy: 1.9087118343645797
Energy: 1.9384465174590066
Energy: 2.4549021801975406
Energy: 2.035274030212103
Energy: 1.9087118343749987
Energy: 1.938446517464216
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Energy: 2.0403162308411553
Energy: 2.2849940440069894
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Energy: 2.4959513054745224
Energy: 2.0000174490018257
Energy: 1.9192433051652353
Energy: 2.053681124604594
Energy: 2.4959513054797315
Energy: 1.9256975255387159
Energy: 1.9991751289525173
Energy: 2.0381687175830665
Energy: 2.0971208901291285
Energy: 1.9256975255361584
Energy: 1.99917512894996
Energy: 2.0381687175830665
Energy: 1.9601329632651787
Energy: 2.005286118818616
Energy: 2.305721009644016
Energy: 1.9744913576656327
Energy: 1.960132963267831
Energy: 2.005286118810849
Energy: 2.3057210096465734
Energy: 2.0945343416498567
Energy: 2.1258980193242847
Energy: 2.167813187162293
Energy: 2.1559173621806433
Energy: 2.0945343416524143
Energy: 2.125898019321727
Energy: 2.167813187162293
Energy: 1.9105834274732307
Energy: 2.065705717060114
Energy: 2.306787269749046
Energy: 1.9387894608565586
Energy: 1.9105834274784403
Energy: 2.065705717067881
Energy: 2.3067872697438365
Energy: 1.8512217389144219
Energy: 2.0732658084282405
Energy: 2.256110725714316
Energy: 1.9670594289202221
Energy: 1.8512217389144219
Energy: 2.0732658084282405
Energy: 2.256110725714316
Energy: 1.9802216891117859
Energy: 2.029106756511872
Energy: 2.4619605974059557
Energy: 2.115727329577336
Energy: 1.980221689114438
Energy: 2.0291067565144294
Energy: 2.4619605974007466
Energy: 1.9513031148703877
Energy: 1.9994944122500966
Energy: 2.2035376652951033
Energy: 1.9479775423150716
Energy: 1.9513031148703877
Energy: 1.9994944122578637
Energy: 2.2035376652976613
Energy: 1.883622861472379
Energy: 2.070358715824287
Energy: 2.388514975187544
Energy: 1.9530898749413101
Energy: 1.8836228614750308
Energy: 2.070358715824287
Energy: 2.3885149751901014
Energy: 1.8857268913962006
Energy: 1.9364006919138776
Energy: 2.4103269246286723
Energy: 2.029410297260492
Energy: 1.8857268913962006
Energy: 1.9364006919086683
Energy: 2.410326924633882
Energy: 1.8216266984143137
Energy: 1.8390959581710948
Energy: 2.3583799239468113
Energy: 1.9967629594808824
Energy: 1.8216266984116614
Energy: 1.8390959581685375
Energy: 2.358379923949369
Energy: 1.9544342605978355
Energy: 2.050561887038665
Energy: 2.456903704333188
Energy: 1.924867379283418
Energy: 1.954434260589974
Energy: 2.0505618870361073
Energy: 2.45690370433584
Energy: 1.9954622827732125
Energy: 2.032880826365756
Energy: 2.3483070781184203
Energy: 1.9611699241188667
Energy: 1.995462282770655
Energy: 2.032880826365756
Energy: 2.3483070781184203
Energy: 1.8536592003224648
Energy: 2.00482269758791
Energy: 2.449778340298066
Energy: 2.0314905397277685
Energy: 1.8536592003250225
Energy: 2.004822697585258
Energy: 2.4497783402902993
Energy: 1.958054728256695
Energy: 2.0335008268774737
Energy: 2.3063743789722593
Energy: 1.973109989939124
Energy: 1.958054728256695
Energy: 2.0335008268722636
Energy: 2.3063743789722593
Energy: 1.972077763330427
Energy: 2.1358821945562068
Energy: 2.361015192112284
Energy: 2.036313581273536
Energy: 1.972077763330427
Energy: 2.1358821945562068
Energy: 2.3610151921174936
Energy: 1.9061101111795935
Energy: 1.9792326197826995
Energy: 2.171252722169595
Energy: 2.041156261169769
Energy: 1.9061101111795935
Energy: 1.9792326197826995
Energy: 2.1712527221722477
Energy: 1.9524591291103295
Energy: 1.9670916936505425
Energy: 2.2295447226284555
Energy: 1.9912049468001485
Energy: 1.9524591291103295
Energy: 1.9670916936531944
Energy: 2.2295447226284555
Energy: 2.15402792375588
Energy: 2.012704091905258
Energy: 2.3632782570006836
Energy: 2.0871436999388098
Energy: 2.15402792375588
Energy: 2.012704091905258
Energy: 2.3632782570111033
Energy: 1.9070094863432692
Energy: 1.9353468191313472
Energy: 2.445660572895546
Energy: 1.9620799518865777
Energy: 1.9070094863458265
Energy: 1.935346819120928
Energy: 2.445660572892988
Energy: 1.859012746975232
Energy: 2.0128761548303715
Energy: 2.236596243394178
Energy: 1.9628983785272685
Energy: 1.8590127469778843
Energy: 2.012876154827814
Energy: 2.236596243394178
Energy: 1.986503751160578
Energy: 2.098194625874393
Energy: 2.548824656730223
Energy: 2.2586041010253486
Energy: 1.9865037511579258
Energy: 2.098194625877046
Energy: 2.5488246567354325
Energy: 1.877349381035132
Energy: 1.9808090031681498
Energy: 2.3335190480506522
Energy: 1.9173076208045203
Energy: 1.8773493810273651
Energy: 1.9808090031681498
Energy: 2.3335190480480947

minimum gb energy = 1.7918384995368355 eV
minimum distance =  2.51366062496709 Angstroms
sigma value = 401


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

Energy: 1.8394129289986623
Energy: 2.0805756887525026
Energy: 2.3623359104738237
Energy: 2.0811633262684706
Energy: 1.8394129289986623
Energy: 2.080575688746589
Energy: 2.3818360041848656
Energy: 1.8260825005541943
Energy: 1.977261301818733
Energy: 2.1023786724480327
Energy: 2.0094340209469177
Energy: 1.8260825005512378
Energy: 1.9772613018157763
Energy: 2.1023786724480327
Energy: 1.9444413883469938
Energy: 1.9564016366074923
Energy: 2.201078436266002
Energy: 1.9985572687495892
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Energy: 1.9564016366045356
Energy: 2.201078436271915
Energy: 2.0629924474635213
Energy: 1.939464297516257
Energy: 2.003705615630401
Energy: 1.9528654265360679
Energy: 2.0629924474605645
Energy: 1.9394642975073868
Energy: 2.003705615630401
Energy: 2.0617057466800257
Energy: 1.8799239193092676
Energy: 2.191038295160753
Energy: 2.023537842542158
Energy: 2.0617057466770685
Energy: 1.8799239193033541
Energy: 2.1910382951637097
Energy: 1.850325300321953
Energy: 1.8652379544266435
Energy: 2.279495849015131
Energy: 2.0919251035564685
Energy: 1.8503253003160396
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Energy: 2.2794958490180877
Energy: 1.8242674922208153
Energy: 2.081295804405993
Energy: 2.3507877618335864
Energy: 1.933485952300411
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Energy: 1.9335408108327106
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Energy: 2.08155899376401
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Energy: 1.997626313019071
Energy: 2.303308971573903
Energy: 1.8259496316582717
Energy: 2.0091477197114176
Energy: 2.3120829119668986
Energy: 1.9773998316654537
Energy: 1.8259496316523585
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Energy: 2.0805756887525026
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Energy: 2.0811633262684706
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Energy: 2.0094340209469177
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Energy: 1.9564016366045356
Energy: 2.201078436271915
Energy: 2.0629924474605645
Energy: 1.939464297516257
Energy: 2.003705615627444
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Energy: 2.191038295160753
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Energy: 1.850325300321953
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Energy: 1.8652321183809009
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Energy: 2.091944223576884
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Energy: 2.0615323890005555
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Energy: 2.0627037013509617
Energy: 1.952685698243272
Energy: 2.439778112622676
Energy: 1.9390176282399703
Energy: 2.0627037013568748
Energy: 1.952685698243272
Energy: 2.439778112613806
Energy: 1.9442189364861935
Energy: 1.9976263130220278
Energy: 2.503525732516076
Energy: 1.9564908539731791
Energy: 1.94421893648915
Energy: 1.997626313019071
Energy: 2.5035257325190328
Energy: 1.8259496316582717
Energy: 2.0091477197114176
Energy: 2.411643917616917
Energy: 1.9773998316654537
Energy: 1.8259496316523585
Energy: 2.0091477197114176
Energy: 2.411643917616917
Energy: 1.8394129289986623
Energy: 2.0805756887525026
Energy: 2.242772826548996
Energy: 2.0811633262684706
Energy: 1.8394129289986623
Energy: 2.080575688746589
Energy: 2.242772826548996
Energy: 1.8260825005571513
Energy: 1.977261301818733
Energy: 2.102378672445076
Energy: 2.0094340209469177
Energy: 1.8260825005512378
Energy: 1.9772613018128198
Energy: 2.102378672445076
Energy: 1.9444413883469938
Energy: 1.9564016366104489
Energy: 2.201078436266002
Energy: 1.9985572687466322
Energy: 1.9444413883469938
Energy: 1.9564016366045356
Energy: 2.201078436271915
Energy: 2.0629924474605645
Energy: 1.939464297516257
Energy: 2.003705615630401
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Energy: 2.0629924474605645
Energy: 1.9394642975073868
Energy: 2.003705615630401
Energy: 2.0617057466800257
Energy: 1.8799239193092676
Energy: 2.1910382951637097
Energy: 2.0235378425451147
Energy: 2.0617057466770685
Energy: 1.8799239193033541
Energy: 2.1910382951637097
Energy: 1.850325300321953
Energy: 1.8652379544266435
Energy: 2.279495849015131
Energy: 2.0919251035564685
Energy: 1.8503253003160396
Energy: 1.8652379544296
Energy: 2.2794958490180877
Energy: 1.8242674922208153
Energy: 2.081295804405993
Energy: 2.3507877618335864
Energy: 1.933485952300411
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Energy: 2.0812958044119063
Energy: 2.3507877618306297
Energy: 1.8246485950243272
Energy: 1.933540810826797
Energy: 2.583471109682974
Energy: 2.08155899376401
Energy: 1.8246485950213704
Energy: 1.933540810826797
Energy: 2.5834711096770606
Energy: 1.8502143565704763
Energy: 2.091944223576884
Energy: 2.208351632811145
Energy: 1.8652321183809009
Energy: 1.8502143565734328
Energy: 2.091944223576884
Energy: 2.2083516328141015
Energy: 2.0615323890005555
Energy: 2.023622753768886
Energy: 2.1640953567037196
Energy: 1.8801353530114988
Energy: 2.061532389003512
Energy: 2.0236227537718428
Energy: 2.1640953567037196
Energy: 2.0627037013509617
Energy: 1.952685698243272
Energy: 2.439778112622676
Energy: 1.9390176282399703
Energy: 2.0627037013539185
Energy: 1.952685698243272
Energy: 2.439778112613806
Energy: 1.9442189364861935
Energy: 1.9976263130220278
Energy: 2.4939206441983712
Energy: 1.9564908539731791
Energy: 1.94421893648915
Energy: 1.997626313019071
Energy: 2.4939206441983712
Energy: 1.8259496316582717
Energy: 2.0091477197114176
Energy: 2.411643917616917
Energy: 1.9773998316654537
Energy: 1.8259496316523585
Energy: 2.0091477197114176
Energy: 2.411643917616917
Energy: 1.8394129289986623
Energy: 2.0805756887525026
Energy: 2.2427728265460396
Energy: 2.0811633262714273
Energy: 1.8394129289986623
Energy: 2.080575688746589
Energy: 2.242772826548996
Energy: 1.8260825005571513
Energy: 1.977261301818733
Energy: 2.102378672445076
Energy: 2.009434020943961
Energy: 1.8260825005512378
Energy: 1.9772613018157763
Energy: 2.1023786724480327

minimum gb energy = 1.8242674922208153 eV
minimum distance =  2.4919967411002 Angstroms
sigma value = 311


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

Energy: 2.124729665574897
Energy: 1.957440537244385
Energy: 2.406464675369756
Energy: 1.945539347563392
Energy: 2.124729665574214
Energy: 1.9574405372440433
Energy: 2.4064646753694143
Energy: 2.0281471418286072
Energy: 2.0397889041639887
Energy: 2.250737379640411
Energy: 2.08164261181261
Energy: 2.028147141827583
Energy: 2.039788904165696
Energy: 2.250737379641436
Energy: 1.979040353915522
Energy: 2.180516949057353
Energy: 2.253744617589133
Energy: 2.0124420568835015
Energy: 1.9790403539162047
Energy: 2.1805169490576946
Energy: 2.2537446175901574
Energy: 2.0059103873225097
Energy: 1.9513317933474932
Energy: 2.30493761708105
Energy: 2.0223797617105093
Energy: 2.0059103873231923
Energy: 1.951331793347152
Energy: 2.3049376170803666
Energy: 1.973903964182702
Energy: 2.0499904726193
Energy: 2.4537137953338357
Energy: 2.047828760925858
Energy: 1.9739039641830434
Energy: 2.0499904726189584
Energy: 2.4249291636609978
Energy: 2.038480174396748
Energy: 1.9104824873422035
Energy: 2.2245141370006856
Energy: 2.0009911346284133
Energy: 2.038480174397772
Energy: 1.910482487341862
Energy: 2.22451413700171
Energy: 2.035210989293894
Energy: 2.25601286788202
Energy: 2.4137509734014606
Energy: 2.116749342058099
Energy: 2.0352109892945767
Energy: 2.2560128678816787
Energy: 2.413750973402143
Energy: 1.9857755079293673
Energy: 1.9601444564130714
Energy: 2.5139622024385204
Energy: 1.961812463040155
Energy: 1.9857755079293673
Energy: 1.96014445641273
Energy: 2.5139622024388615
Energy: 1.9457675363703877
Energy: 2.050283180572206
Energy: 2.5584314067966187
Energy: 1.964173645290645
Energy: 1.9457675363697047
Energy: 2.0502831805708404
Energy: 2.559591227180522
Energy: 1.9423733544674395
Energy: 2.0244262832017124
Energy: 2.4028522658363327
Energy: 2.200748921086806
Energy: 1.9423733544684638
Energy: 2.0244262832013713
Energy: 2.4028522658370157
Energy: 2.115316471544549
Energy: 2.124448667686344
Energy: 2.268247884971778
Energy: 1.9744747387073913
Energy: 2.115316471545232
Energy: 2.124448667686003
Energy: 2.26824788497212
Energy: 1.9771678260473444
Energy: 2.0688658722562003
Energy: 2.327228956528204
Energy: 2.019165530339602
Energy: 1.977167826047003
Energy: 2.068865872256883
Energy: 2.327228956528887
Energy: 2.06195957000913
Energy: 1.9500290749487215
Energy: 2.108198609605135
Energy: 2.0812481409695387
Energy: 2.0619595700087885
Energy: 1.950029074949063
Energy: 2.1081986096037695
Energy: 1.8875699471644845
Energy: 2.0773616928933483
Energy: 2.345923474841508
Energy: 2.0318971654360434
Energy: 1.8875699471651672
Energy: 2.0773616928933483
Energy: 2.345923474841166
Energy: 2.0008223288351266
Energy: 2.006259340268179
Energy: 2.1888080214852845
Energy: 2.0324369340063786
Energy: 2.000822328834444
Energy: 2.0062593402674964
Energy: 2.188808021483919
Energy: 1.9652224039648654
Energy: 2.03462401661804
Energy: 2.401680085374734
Energy: 2.0893397967295653
Energy: 1.965222403964524
Energy: 2.0346240166183813
Energy: 2.401680085374734
Energy: 2.077310776889327
Energy: 1.9113411650884962
Energy: 2.2097655064641595
Energy: 2.0835691919919674
Energy: 2.0773107768906924
Energy: 1.91134116508952
Energy: 2.209765506463135
Energy: 1.9984156977098892
Energy: 2.1995294453813696
Energy: 2.4209056746006863
Energy: 1.9865178018491731
Energy: 1.9984156977112548
Energy: 2.199529445378638
Energy: 2.4209056746010273
Energy: 1.9379495121255506
Energy: 2.2220527174891944
Energy: 2.3675344601839234
Energy: 2.0167730682964224
Energy: 1.9379495121265746
Energy: 2.2220527174905604
Energy: 2.3675344601828994
Energy: 1.9610249080792201
Energy: 2.0548517283464816
Energy: 2.5177119678901825
Energy: 1.9648621673095694
Energy: 1.961024908078227
Energy: 2.054851728346823
Energy: 2.5177119678901825
Energy: 1.981873086735238
Energy: 2.1137891304074765
Energy: 2.3903951188798582
Energy: 2.2439285431081277
Energy: 1.9818730867348968
Energy: 2.1137891304071355
Energy: 2.39736547526332
Energy: 2.0190399422639267
Energy: 2.0334555524967235
Energy: 2.2821391164416394
Energy: 2.0687467207925856
Energy: 2.0190399422635856
Energy: 2.033455552496382
Energy: 2.2821391164433464
Energy: 2.024491688400795
Energy: 2.0331105093949735
Energy: 2.4294074060270874
Energy: 2.129157969656711
Energy: 2.024491688402161
Energy: 2.0331105093939494
Energy: 2.429407406026405
Energy: 2.014750472134801
Energy: 2.0082451280089053
Energy: 2.281693512983914
Energy: 2.012775548191947
Energy: 2.014750472135142
Energy: 2.008245128009247
Energy: 2.2816935129828897
Energy: 1.9795635829649518
Energy: 2.051547572618356
Energy: 2.5447825591166913
Energy: 2.141498052059398
Energy: 1.9795635829646103
Energy: 2.0515475726180146
Energy: 2.547787198344603
Energy: 1.993852836449976
Energy: 2.126071823218315
Energy: 2.2302419670100897
Energy: 2.061209342273958
Energy: 1.9938528364492927
Energy: 2.1260718232193394
Energy: 2.230241967008383
Energy: 2.065744830189248
Energy: 1.9700499973734666
Energy: 2.467677394568716
Energy: 1.9320480251435141
Energy: 2.065744830189248
Energy: 1.970049997373808
Energy: 2.4676773945690575
Energy: 2.016189935384268
Energy: 1.994480600955175
Energy: 2.2778677867401544
Energy: 2.116786772116355
Energy: 2.0161899353856336
Energy: 1.9944806009558578
Energy: 2.277867786739472
Energy: 2.0556674428938293
Energy: 2.1211668405615094
Energy: 2.3007328549903834
Energy: 2.030702513082743
Energy: 2.0556674428951953
Energy: 2.1211668405598023
Energy: 2.3007328549893593
Energy: 2.0198970600429313
Energy: 1.965409209516187
Energy: 2.298301853140941
Energy: 1.9978748523738983
Energy: 2.0198970600436144
Energy: 1.9654092095165283
Energy: 2.2983018531412824
Energy: 1.9655135473260799
Energy: 2.1140399535474272
Energy: 2.4437052420737517
Energy: 2.0505571707063663
Energy: 1.965513547325397
Energy: 2.1140399535470853
Energy: 2.4437052420747762
Energy: 1.9921268346772467
Energy: 2.0202865540418506
Energy: 2.2223906306853536
Energy: 2.02280060513869
Energy: 1.992126834675881
Energy: 2.0202865540418506
Energy: 2.222390630685695
Energy: 2.0029246072549083
Energy: 2.199285887425405
Energy: 2.482539752670888
Energy: 2.151756266958516
Energy: 2.002924607253884
Energy: 2.199285887425405
Energy: 2.482539752670547
Energy: 1.9872090064570473
Energy: 1.9835338646312484
Energy: 2.448533606884524
Energy: 2.0320065856803393
Energy: 1.9872090064573886
Energy: 1.9835338646302554
Energy: 2.4485336068838404
Energy: 1.9591626437080891
Energy: 2.0223629083059125
Energy: 2.505745354024494
Energy: 1.932135982014825
Energy: 1.9591626437084306
Energy: 2.0223629083065955
Energy: 2.505745354026201
Energy: 1.938275430535604
Energy: 2.0662263500576445
Energy: 2.4273599758258197
Energy: 2.172163544627854
Energy: 1.9382754305362868
Energy: 2.0662263500562785
Energy: 2.4273599758247957

minimum gb energy = 1.8875699471644845 eV
minimum distance =  2.51711099239696 Angstroms
sigma value = 39


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

Energy: 2.094901770523716
Energy: 1.9756241883826664
Energy: 2.475178755106985
Energy: 1.974659261000865
Energy: 2.0949017705253277
Energy: 1.9756241883858898
Energy: 2.4888588676035255
Energy: 1.9615197777569677
Energy: 1.7887778482996124
Energy: 2.4571664297847273
Energy: 1.8975537232775812
Energy: 1.9615197777577735
Energy: 1.7887778482996124
Energy: 2.457166429784324
Energy: 2.133036038229855
Energy: 1.7787910682064192
Energy: 2.286773525153222
Energy: 1.940046031774379
Energy: 2.133036038229049
Energy: 1.7787910682076278
Energy: 2.2867735251536248
Energy: 2.0919654628477615
Energy: 1.7886311176610332
Energy: 2.3889991702203233
Energy: 2.0924261712052834
Energy: 2.0919654628481643
Energy: 1.7886311176598246
Energy: 2.3889991702199196
Energy: 1.9848397747282323
Energy: 2.047512929209735
Energy: 2.05219146208541
Energy: 1.9398346641833644
Energy: 1.9848397747306499
Energy: 2.047512929209735
Energy: 2.052191462082992
Energy: 2.091963894452574
Energy: 2.0533952290993347
Energy: 2.591418169731402
Energy: 2.188270675179274
Energy: 2.091963894450156
Energy: 2.0533952290985287
Energy: 2.5914181697301926
Energy: 2.039835946923401
Energy: 2.020661117073876
Energy: 1.9783686631592707
Energy: 2.1263514505430985
Energy: 2.0398359469221923
Energy: 2.020661117073876
Energy: 1.9783686631649116
Energy: 2.1521554907577922
Energy: 1.9621254087892612
Energy: 1.9168744475806796
Energy: 1.9619635535328885
Energy: 2.152155490759001
Energy: 1.9621254087924849
Energy: 1.9168744475766868
Energy: 2.0643451374927917
Energy: 2.1262187281238556
Energy: 2.3476563631436607
Energy: 2.0211349052957375
Energy: 2.0643451374960153
Energy: 2.126218728124258
Energy: 2.3424669934993654
Energy: 2.0921136386971453
Energy: 2.18884087071098
Energy: 2.591454385092092
Energy: 2.0533728465886942
Energy: 2.09211363870198
Energy: 2.1888408707129945
Energy: 2.5914543850912866
Energy: 1.981328635982035
Energy: 1.9398311834472735
Energy: 2.384054736866575
Energy: 2.0475378129322443
Energy: 1.9813286359800206
Energy: 1.9398311834480795
Energy: 2.38405473685207
Energy: 2.0919774352864633
Energy: 2.0924648581382117
Energy: 2.389092414685436
Energy: 1.788069861280391
Energy: 2.0919774352900897
Energy: 2.092464858137809
Energy: 2.389092414683825
Energy: 2.1327465066141262
Energy: 1.9401320503158723
Energy: 2.5056162673555167
Energy: 1.7788202770101345
Energy: 2.1327465066133198
Energy: 1.9401320503170814
Energy: 2.5056162673567255
Energy: 1.9627305274998854
Energy: 1.8955237125307083
Energy: 2.4571250165191834
Energy: 1.7901872096100147
Energy: 1.9627305275010942
Energy: 1.895523712531111
Energy: 2.4571250165187806
Energy: 2.094901770524119
Energy: 1.975624188383875
Energy: 2.488858867605137
Energy: 1.9746592610000593
Energy: 2.0949017705253277
Energy: 1.9756241883858898
Energy: 2.4888588676047334
Energy: 1.961519777756565
Energy: 1.788777848301627
Energy: 2.457166429784324
Energy: 1.8975537232763726
Energy: 1.9615197777577735
Energy: 1.7887778483000154
Energy: 2.4571664297839213
Energy: 2.133036038230258
Energy: 1.7787910682052104
Energy: 2.2867735251495955
Energy: 1.9400460317747819
Energy: 2.13303603822784
Energy: 1.7787910682084338
Energy: 2.2867735251504016
Energy: 2.091965462846955
Energy: 1.7886311176610332
Energy: 2.3889991702195172
Energy: 2.0924261712044774
Energy: 2.0919654628477615
Energy: 1.788631117662242
Energy: 2.3889991702191145
Energy: 1.9848397747274262
Energy: 2.047512929209735
Energy: 2.052191462085813
Energy: 1.9398346641825583
Energy: 1.9848397747302469
Energy: 2.047512929208527
Energy: 2.0521914620833948
Energy: 2.0919638944533796
Energy: 2.0533952290993347
Energy: 2.5914181697301926
Energy: 2.1882706751800796
Energy: 2.0919638944505587
Energy: 2.0533952290985287
Energy: 2.5914181697318046
Energy: 2.039835946922595
Energy: 2.020661117073876
Energy: 1.9783686631604795
Energy: 2.126351450543904
Energy: 2.0398359469238043
Energy: 2.020661117074279
Energy: 1.9783686631633002
Energy: 2.1521554907577922
Energy: 1.9621254087888582
Energy: 1.9168744475802766
Energy: 1.9619635535328885
Energy: 2.1521554907585982
Energy: 1.9621254087924849
Energy: 1.9168744475791046
Energy: 2.0643451374927917
Energy: 2.1262187281238556
Energy: 2.3341324325545867
Energy: 2.0211349052965435
Energy: 2.0643451374960153
Energy: 2.126218728124258
Energy: 2.3341324325545867
Energy: 2.092113638696742
Energy: 2.188840870710577
Energy: 2.5914543850908833
Energy: 2.053372846587888
Energy: 2.09211363870198
Energy: 2.1888408707133973
Energy: 2.5914543850916893
Energy: 1.9813286359816318
Energy: 1.9398311834464677
Energy: 2.577227739209741
Energy: 2.047537812931036
Energy: 1.9813286359796176
Energy: 1.9398311834468707
Energy: 2.5772277392085323
Energy: 2.0919774352864633
Energy: 2.092464858138615
Energy: 2.389092414685839
Energy: 1.7880698612811967
Energy: 2.0919774352904925
Energy: 2.092464858139421
Energy: 2.3890924146834216
Energy: 2.1327465066133198
Energy: 1.9401320503154695
Energy: 2.6221965065227586
Energy: 1.7788202770097314
Energy: 2.132746506612514
Energy: 1.9401320503158723
Energy: 2.622196506523564
Energy: 1.9627305274998854
Energy: 1.895523712531111
Energy: 2.4571250165191834
Energy: 1.7901872096088056
Energy: 1.9627305275010942
Energy: 1.8955237125319169
Energy: 2.4571250165191834
Energy: 2.094901770523313
Energy: 1.9756241883826664
Energy: 2.488858867605137
Energy: 1.9746592610004623
Energy: 2.0949017705245216
Energy: 1.9756241883854868
Energy: 2.4888588676047334
Energy: 1.9615197777569677
Energy: 1.788777848301627
Energy: 2.4571664297847273
Energy: 1.8975537232783872
Energy: 1.9615197777573707
Energy: 1.7887778482996124
Energy: 2.4571664297839213

minimum gb energy = 1.7787910682052104 eV
minimum distance =  2.52011738616668 Angstroms
sigma value = 21


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

Energy: 1.9656609948384858
Energy: 2.203957089318749
Energy: 2.414836312355867
Energy: 2.2037912968156443
Energy: 1.9656609948379966
Energy: 2.203957089318749
Energy: 2.414836312356356
Energy: 2.1029423536525007
Energy: 1.9147303316690856
Energy: 2.3382654099753393
Energy: 1.9875574268512048
Energy: 2.1029423536525007
Energy: 1.9147303316676183
Energy: 2.3382654099763176
Energy: 2.0193202849380882
Energy: 2.051105391452357
Energy: 2.3489720714762603
Energy: 2.2213745358095887
Energy: 2.0193202849375993
Energy: 2.051105391450889
Energy: 2.3489720714767497
Energy: 2.09192398347059
Energy: 2.064193168988785
Energy: 2.4298372467080944
Energy: 2.0237365481139635
Energy: 2.091923983468633
Energy: 2.064193168987807
Energy: 2.4298372467080944
Energy: 1.9161153498265964
Energy: 2.0510253567121026
Energy: 2.219999388960538
Energy: 1.9870803957795362
Energy: 1.916115349828553
Energy: 2.051025356715037
Energy: 2.2199993889615164
Energy: 2.09218846659135
Energy: 1.9143234598655716
Energy: 2.5593183122403484
Energy: 2.028933920472077
Energy: 2.0921884665918395
Energy: 1.914323459867039
Energy: 2.5593183122403484
Energy: 2.0452397478546502
Energy: 2.155325300942238
Energy: 1.9986820283836715
Energy: 1.970123747105885
Energy: 2.0452397478556286
Energy: 2.155325300942238
Energy: 1.9986820283846496
Energy: 2.0179180481908534
Energy: 2.110881067706681
Energy: 2.1740107721333164
Energy: 2.1108642238627713
Energy: 2.017918048191343
Energy: 2.1108810677071705
Energy: 2.174010772134784
Energy: 2.063113062172142
Energy: 2.074877589060788
Energy: 2.3427637867441415
Energy: 2.1799047466440733
Energy: 2.063113062171164
Energy: 2.074877589060788
Energy: 2.342763786742674
Energy: 2.045870574213439
Energy: 1.8829304324050802
Energy: 2.1796107361635557
Energy: 2.0639235394225395
Energy: 2.045870574213439
Energy: 1.8829304324065477
Energy: 2.1796107361635557
Energy: 2.0371112345969014
Energy: 2.1003396237902017
Energy: 2.3899569430864354
Energy: 2.085131096678571
Energy: 2.0371112345973907
Energy: 2.1003396237887344
Energy: 2.3899569430874137
Energy: 1.9183434285155971
Energy: 2.2062004807785796
Energy: 2.331684153828024
Energy: 2.1356638104486954
Energy: 1.918343428515108
Energy: 2.206200480780536
Energy: 2.331684153827535
Energy: 2.0289642625691235
Energy: 2.093160170883176
Energy: 2.160778374200484
Energy: 2.119304387538173
Energy: 2.0289642625691235
Energy: 2.093160170882687
Energy: 2.1607783742014623
Energy: 1.99358899580579
Energy: 2.0012474852451545
Energy: 2.5304693591027236
Energy: 2.147321628204706
Energy: 1.9935889958043227
Energy: 2.0012474852451545
Energy: 2.530469359101257
Energy: 2.1227124729751568
Energy: 2.034632297374761
Energy: 2.068071579064003
Energy: 2.0558138201410467
Energy: 2.1227124729756457
Energy: 2.034632297377207
Energy: 2.0680715790644926
Energy: 1.9727759752151401
Energy: 2.0904504020424888
Energy: 2.6249116245106503
Energy: 2.0069461314546913
Energy: 1.972775975214651
Energy: 2.090450402042
Energy: 2.6249116245106503
Energy: 2.0583126543414973
Energy: 1.9789797724582816
Energy: 2.1679701143416006
Energy: 2.01286991200187
Energy: 2.0583126543414973
Energy: 1.9789797724582816
Energy: 2.167970114341111
Energy: 2.0196300173382564
Energy: 1.9881530546757864
Energy: 2.135250705685536
Energy: 1.9872345558297235
Energy: 2.0196300173382564
Energy: 1.9881530546767645
Energy: 2.1352507056865138
Energy: 1.9948910560841144
Energy: 1.9756677009292702
Energy: 2.274502359365
Energy: 1.9596224210649718
Energy: 1.994891056086071
Energy: 1.9756677009282921
Energy: 2.2745023593654885
Energy: 1.8927719084707981
Energy: 1.9555988935829085
Energy: 2.2190085671328945
Energy: 1.9555410113640839
Energy: 1.8927719084698198
Energy: 1.9555988935814412
Energy: 2.2190085671333843
Energy: 1.9945485126123323
Energy: 1.9594832301953693
Energy: 2.274455736773816
Energy: 1.9763153800807212
Energy: 1.9945485126123323
Energy: 1.9594832301953693
Energy: 2.274455736774305
Energy: 2.0195482157810014
Energy: 2.0028990218395784
Energy: 2.135244946293505
Energy: 1.988347766286858
Energy: 2.0195482157849143
Energy: 2.002899021838111
Energy: 2.135244946294483
Energy: 2.0585092259321223
Energy: 2.012772803624516
Energy: 2.223890242451989
Energy: 1.9793125543219419
Energy: 2.0585092259321223
Energy: 2.012772803623048
Energy: 2.223890242453457
Energy: 1.9728515071734443
Energy: 2.007171599601222
Energy: 2.625109733008138
Energy: 2.0907390089193663
Energy: 1.9728515071734443
Energy: 2.007171599601222
Energy: 2.625109733009116
Energy: 2.11103341710604
Energy: 2.055764625400603
Energy: 2.2722795750574556
Energy: 2.035055527680775
Energy: 2.1110334171055505
Energy: 2.0557646254001134
Energy: 2.272279575056966

minimum gb energy = 1.8829304324050802 eV
minimum distance =  2.49901511069761 Angstroms
sigma value = 113


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

Energy: 2.0622356410097433
Energy: 2.216730467336619
Energy: 2.419423375561427
Energy: 2.227610021269879
Energy: 2.0622356410097433
Energy: 2.216730467336619
Energy: 2.419423375561427
Energy: 2.099199542518829
Energy: 2.1291960044051876
Energy: 2.3361666193016495
Energy: 2.251651915421233
Energy: 2.099199542521509
Energy: 2.1291960044051876
Energy: 2.3361666193016495
Energy: 2.0754055790712784
Energy: 2.2392609048831362
Energy: 2.220028313270264
Energy: 2.157684551054804
Energy: 2.075405579065819
Energy: 2.239260904885916
Energy: 2.220028313273044
Energy: 1.9737121184517372
Energy: 2.154032333430499
Energy: 2.4521139208914775
Energy: 2.170173233598386
Energy: 1.9737121184462776
Energy: 2.1540323334278186
Energy: 2.452113920888798
Energy: 2.0891346691941735
Energy: 2.0607426057663436
Energy: 2.2148521779414403
Energy: 2.0691840095470786
Energy: 2.0891346691969526
Energy: 2.0607426057608835
Energy: 2.2148521779386607
Energy: 1.9633129556529412
Energy: 2.1231518248758308
Energy: 2.4450974963433265
Energy: 2.0492492354742544
Energy: 1.9633129556556213
Energy: 2.1231518248758308
Energy: 2.445097496340646
Energy: 2.0246067561442933
Energy: 2.0272169378169087
Energy: 2.221443201928059
Energy: 2.108132597569272
Energy: 2.0246067561416132
Energy: 2.027216937822369
Energy: 2.221443201928059
Energy: 1.9403725658659001
Energy: 2.080868563720822
Energy: 2.3361625641249337
Energy: 2.088932006040504
Energy: 1.9403725658659001
Energy: 2.080868563720822
Energy: 2.3361625641249337
Energy: 2.0096629738366563
Energy: 2.0489615556553145
Energy: 2.316162109273299
Energy: 2.0679831463370837
Energy: 2.0096629738366563
Energy: 2.048961555652535
Energy: 2.3161621092705196
Energy: 1.9994676510293574
Energy: 2.095943728293883
Energy: 2.4062769684838843
Energy: 2.0894767253076894
Energy: 1.9994676510293574
Energy: 2.095943728293883
Energy: 2.406276968481105
Energy: 2.0451691056120747
Energy: 2.1342280409978476
Energy: 2.3056707497171622
Energy: 2.094356349851967
Energy: 2.045169105609295
Energy: 2.1342280409978476
Energy: 2.3056707497198423
Energy: 2.0094868361846414
Energy: 2.101103414414183
Energy: 2.4516645652777305
Energy: 2.1179962887427832
Energy: 2.0094868361846414
Energy: 2.101103414414183
Energy: 2.45166456528041
Energy: 2.0466946142821945
Energy: 2.100163854905258
Energy: 2.3302194620705
Energy: 2.120776262940645
Energy: 2.0466946142821945
Energy: 2.100163854902578
Energy: 2.330219462067721
Energy: 2.0854610657199824
Energy: 2.1552067973591167
Energy: 2.424203626798093
Energy: 2.1493997068700823
Energy: 2.0854610657199824
Energy: 2.1552067973617968
Energy: 2.424203626798093
Energy: 2.059798666819101
Energy: 2.12808386087478
Energy: 2.447226073217722
Energy: 2.177157091322864
Energy: 2.05979866682188
Energy: 2.1280838608775596
Energy: 2.4472260732149422
Energy: 2.0523736001911908
Energy: 2.046788816997737
Energy: 2.360221056901454
Energy: 2.144066233515232
Energy: 2.05237360019397
Energy: 2.0467888170005164
Energy: 2.360221056901454
Energy: 2.0844188007264126
Energy: 2.103459688935016
Energy: 2.3884537031840822
Energy: 2.1023218173599565
Energy: 2.0844188007264126
Energy: 2.103459688935016
Energy: 2.3884537031840822
Energy: 1.9903905821180006
Energy: 2.105159351122927
Energy: 2.36461602665048
Energy: 2.123266446978765
Energy: 1.9903905821180006
Energy: 2.1051593511257067
Energy: 2.364616026653259
Energy: 2.0905592600550853
Energy: 2.0834816264174387
Energy: 2.2321315816911005
Energy: 2.126979682221525
Energy: 2.0905592600550853
Energy: 2.083481626420218
Energy: 2.232131581693781
Energy: 1.9777798404477551
Energy: 2.064290615005547
Energy: 2.382438192113033
Energy: 2.033636469449795
Energy: 1.9777798404477551
Energy: 2.064290615005547
Energy: 2.3824381921102535
Energy: 2.0413573528874847
Energy: 1.9833560159491883
Energy: 2.255105807360364
Energy: 2.1263598093775147
Energy: 2.0413573528874847
Energy: 1.9833560159491883
Energy: 2.255105807360364
Energy: 1.985128485779821
Energy: 2.0877805695550946
Energy: 2.254785001364649
Energy: 2.098094319013537
Energy: 1.985128485779821
Energy: 2.087780569557874
Energy: 2.254785001364649
Energy: 2.060130105112821
Energy: 2.0331419712563994
Energy: 2.2967562034411064
Energy: 2.150129595012085
Energy: 2.060130105118281
Energy: 2.0331419712590795
Energy: 2.296756203443787
Energy: 2.0030828405859027
Energy: 2.0275202870148714
Energy: 2.3030404382865624
Energy: 2.160093105876686
Energy: 2.0030828405886822
Energy: 2.0275202870120923
Energy: 2.3030404382838823
Energy: 2.083004846169386
Energy: 2.061356776893369
Energy: 2.237769992936366
Energy: 2.25500096208712
Energy: 2.0830048461666064
Energy: 2.0613567768961487
Energy: 2.237769992939046
Energy: 1.967140302327693
Energy: 2.1815379884513804
Energy: 2.382355799340873
Energy: 2.212174477754374
Energy: 1.967140302327693
Energy: 2.1815379884513804
Energy: 2.382355799338094
Energy: 2.1984371307128927
Energy: 2.0640923454847937
Energy: 2.2574110455215854
Energy: 2.2998548995573453
Energy: 2.1984371307156723
Energy: 2.0640923454821136
Energy: 2.2574110455188054
Energy: 1.9854745591004528
Energy: 2.217362448417076
Energy: 2.4013098071007124
Energy: 2.2665232720345534
Energy: 1.9854745591059124
Energy: 2.2173624484197565
Energy: 2.4013098071007124
Energy: 2.1945854842781936
Energy: 2.0544812754838064
Energy: 2.284517604375635
Energy: 2.3163951340941424
Energy: 2.1945854842808736
Energy: 2.054481275486487
Energy: 2.2845176043783155
Energy: 1.962759252486325
Energy: 2.2111328813562925
Energy: 2.2806818135407885
Energy: 2.2041466919139507
Energy: 1.9627592524917847
Energy: 2.211132881358973
Energy: 2.2806818135407885
Energy: 2.0670736814621122
Energy: 2.0256413585429787
Energy: 2.3754228568776856
Energy: 2.2208706351017216
Energy: 2.0670736814621122
Energy: 2.025641358545659
Energy: 2.3754228568804647
Energy: 1.9349499525995708
Energy: 2.0462362167737855
Energy: 2.2546674895661147
Energy: 2.1267624513981858
Energy: 1.9349499525968907
Energy: 2.0462362167764656
Energy: 2.2546674895661147
Energy: 2.0140977784848726
Energy: 2.0088470327073877
Energy: 2.3273571386745786
Energy: 2.1692043992632066
Energy: 2.014097778482093
Energy: 2.008847032710068
Energy: 2.3273571386800387
Energy: 1.943983925511238
Energy: 1.9985551005481605
Energy: 2.3290267374801417
Energy: 2.0101412621778016
Energy: 1.943983925505778
Energy: 1.9985551005481605
Energy: 2.329026737482921
Energy: 1.925110663322857
Energy: 1.972071516175214
Energy: 2.263082865762222
Energy: 2.1444927645925422
Energy: 1.925110663322857
Energy: 1.972071516175214
Energy: 2.263082865767682
Energy: 1.9460200292219436
Energy: 1.9797857074564134
Energy: 2.3203558534336732
Energy: 2.004528923013568
Energy: 1.9460200292274032
Energy: 1.9797857074590937
Energy: 2.320355853430993
Energy: 2.032767688614557
Energy: 2.051275599858407
Energy: 2.3745155075033915
Energy: 2.0872546920257733
Energy: 2.0327676886173367
Energy: 2.051275599858407
Energy: 2.3745155075006124
Energy: 1.9986119882653477
Energy: 2.0360485895127507
Energy: 2.3688613519798394
Energy: 2.0498456731380887
Energy: 1.9986119882653477
Energy: 2.0360485895127507
Energy: 2.3688613519825195
Energy: 2.0488126955267703
Energy: 2.0976191606331667
Energy: 2.4307037417556416
Energy: 2.093612171565199
Energy: 2.0488126955239907
Energy: 2.0976191606331667
Energy: 2.430703741752862
Energy: 2.0170936352532114
Energy: 2.1202686423837513
Energy: 2.369044067320761
Energy: 2.06979374342063
Energy: 2.017093635255991
Energy: 2.1202686423782913
Energy: 2.369044067320761
Energy: 2.1350661370122457
Energy: 2.0879804161251987
Energy: 2.397699680342771
Energy: 2.1586626572024703
Energy: 2.1350661370150252
Energy: 2.0879804161251987
Energy: 2.397699680342771
Energy: 2.001833022086494
Energy: 2.1980514040615846
Energy: 2.4724544611691157
Energy: 2.1853692546580206
Energy: 2.001833022086494
Energy: 2.1980514040615846
Energy: 2.4724544611691157
Energy: 2.1102457148940026
Energy: 2.09551738681005
Energy: 2.315820471353395
Energy: 2.1313903859372245
Energy: 2.1102457148966827
Energy: 2.09551738680727
Energy: 2.3158204713506154
Energy: 2.008240746160824
Energy: 2.1763682400581335
Energy: 2.426525895164844
Energy: 2.1067970884009566
Energy: 2.008240746160824
Energy: 2.176368240055354
Energy: 2.4265258951620643
Energy: 2.0358389859943493
Energy: 2.098879263197526
Energy: 2.384378775151679
Energy: 2.087011312074465
Energy: 2.0358389859971293
Energy: 2.098879263197526
Energy: 2.3843787751489987

minimum gb energy = 1.925110663322857 eV
minimum distance =  2.50426074335415 Angstroms
sigma value = 365


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

Energy: 1.8371538820869864
Energy: 1.9486788357540203
Energy: 2.3117133522578004
Energy: 1.9486788357546354
Energy: 1.8371538820857551
Energy: 1.9486788357564824
Energy: 2.311713351283933
Energy: 1.8371538820869864
Energy: 1.9486788357552511
Energy: 2.348696733604404
Energy: 1.9486788357552511
Energy: 1.8371538820876017
Energy: 1.9486788357546354
Energy: 2.311713351464774
Energy: 1.8371538820882172
Energy: 1.9486788357546354
Energy: 2.3117133522122546
Energy: 1.9486788357540203
Energy: 1.8371538820857551
Energy: 1.9486788357552511
Energy: 2.3117133494819573
Energy: 1.8371538820863709
Energy: 1.9486788357546354
Energy: 2.273909180956398
Energy: 1.9486788357546354
Energy: 1.8371538820857551
Energy: 1.9486788357558666
Energy: 2.2739090435498097
Energy: 1.8371538820863709
Energy: 1.9486788357552511
Energy: 2.311713349470878
Energy: 1.9486788357552511
Energy: 1.8371538820882172
Energy: 1.9486788357546354
Energy: 2.3117133503850993
Energy: 1.8371538820876017
Energy: 1.9486788357552511
Energy: 2.2739093583075425
Energy: 1.9486788357552511
Energy: 1.8371538820857551
Energy: 1.9486788357552511
Energy: 2.273909198557627
Energy: 1.8371538820863709
Energy: 1.9486788357546354
Energy: 2.2275036168733657
Energy: 1.9486788357540203
Energy: 1.8371538820863709
Energy: 1.9486788357558666
Energy: 2.2275039002768278
Energy: 1.8371538820869864
Energy: 1.9486788357552511
Energy: 2.273909128503313
Energy: 1.9486788357546354
Energy: 1.8371538820882172
Energy: 1.9486788357552511
Energy: 2.273909247539034
Energy: 1.8371538820882172
Energy: 1.9486788357558666
Energy: 2.2275038352697245
Energy: 1.9486788357540203
Energy: 1.8371538820857551
Energy: 1.9486788357540203
Energy: 2.1813573862209688
Energy: 1.8371538820863709
Energy: 1.9486788357546354
Energy: 2.1980601874017065
Energy: 1.9486788357552511
Energy: 1.8371538820857551
Energy: 1.9486788357552511
Energy: 2.198060184469642
Energy: 1.8371538820863709
Energy: 1.9486788357546354
Energy: 2.2275035796425438
Energy: 1.9486788357552511
Energy: 1.8371538820882172
Energy: 1.9486788357546354
Energy: 2.227503627584226
Energy: 1.8371538820876017
Energy: 1.9486788357546354
Energy: 2.1980602431824465
Energy: 1.9486788357534048
Energy: 1.8371538820857551
Energy: 1.9486788357540203
Energy: 2.198060250269715
Energy: 1.8371538820863709
Energy: 1.9486788357552511
Energy: 2.1980602116860544
Energy: 1.9486788357546354
Energy: 1.8371538820863709
Energy: 1.9486788357564824
Energy: 2.1980601993811404
Energy: 1.8371538820869864
Energy: 1.9486788357552511
Energy: 2.1980602805997047
Energy: 1.9486788357564824
Energy: 1.8371538820869864
Energy: 1.9486788357546354
Energy: 2.1980603211053613
Energy: 1.8371538820876017
Energy: 1.9486788357552511
Energy: 2.198060146571857
Energy: 1.9486788357546354
Energy: 1.8371538820857551
Energy: 1.9486788357558666
Energy: 2.1980603107494687
Energy: 1.8371538820869864
Energy: 1.9486788357546354
Energy: 2.19806017704643
Energy: 1.9486788357534048
Energy: 1.8371538820857551
Energy: 1.9486788357564824
Energy: 2.1980603110337116
Energy: 1.8371538820869864
Energy: 1.9486788357552511
Energy: 2.1980601606165826
Energy: 1.9486788357546354
Energy: 1.8371538820882172
Energy: 1.9486788357552511
Energy: 2.1980601951361876
Energy: 1.8371538820876017
Energy: 1.9486788357552511
Energy: 2.1980601183544963
Energy: 1.9486788357540203
Energy: 1.8371538820857551
Energy: 1.9486788357540203
Energy: 2.1980601045411374
Energy: 1.8371538820863709
Energy: 1.9486788357546354
Energy: 2.1980602669905753
Energy: 1.9486788357552511
Energy: 1.8371538820857551
Energy: 1.9486788357564824
Energy: 2.198060180232019
Energy: 1.8371538820869864
Energy: 1.9486788357558666
Energy: 2.1980601950943344
Energy: 1.9486788357546354
Energy: 1.8371538820882172
Energy: 1.9486788357552511
Energy: 2.198060274785989

minimum gb energy = 1.8371538820857551 eV
minimum distance =  2.54805659827495 Angstroms
sigma value = 23