Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.619543239474297
cohesive_energy=3.471712825662978
mass=63.546
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: -0.0946568985224103
Energy: 1.3245337723395603
Energy: 0.6958726223187393
Energy: 1.32444393777192
Energy: -0.0946568985226657
Energy: 1.3245337723390496
Energy: 1.0433571493513276
Energy: 0.33589587224674244
Energy: -0.09416804649853529
Energy: 0.15292325716745236
Energy: -0.09429340106715832
Energy: 0.335895872246487
Energy: -0.0941680464977974
Energy: 0.15292325716745236
Energy: -0.0946568985224103
Energy: 1.324533772339305
Energy: 0.6958726223192502
Energy: 1.3244439377721753
Energy: -0.09465689852292114
Energy: 1.3245337723383115
Energy: 1.0433571493518383
Energy: 0.3358958722474803
Energy: -0.09416804649680412
Energy: 0.15292325716719693
Energy: -0.09429340106642044
Energy: 0.33589587224699785
Energy: -0.09416804649805283
Energy: 0.15292325716745236
Energy: -0.0946568985224103
Energy: 1.3245337723388226
Energy: 1.0433571493525764
Energy: 1.3244439377731687
Energy: -0.09465689852292114
Energy: 1.3245337723412918
Energy: 1.0433571493523492
Energy: 0.33589587224674244
Energy: -0.0941680464977974
Energy: 0.15292325716719693
Energy: -0.09429340106741373
Energy: 0.33589587224699785
Energy: -0.09416804649830825
Energy: 0.1529232571657212

minimum gb energy = -0.09465689852292114 eV
minimum distance =  2.53328982333725 Angstroms
sigma value = 5


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

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Energy: 0.8921967165938033
Energy: 0.9469638669131457
Energy: 0.8908850048478405
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Energy: 0.9247813430704679
Energy: 0.8729981650348215
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Energy: 0.9212997771889799
Energy: 0.8978559207788515
Energy: 0.8630439589268963
Energy: 0.9625516187727005
Energy: 0.9212997771919755
Energy: 0.8978559207788515
Energy: 0.8630439589299476
Energy: 0.9163103636124038
Energy: 0.9152467717263361
Energy: 0.877439619386438
Energy: 0.8925451409499142
Energy: 0.9163103636124038
Energy: 0.9152467717263361
Energy: 0.877439619386438
Energy: 0.849361484534108
Energy: 0.8775162147937194
Energy: 0.9566669289385487
Energy: 0.8880451609408198
Energy: 0.849361484534108
Energy: 0.8775162147937194
Energy: 0.9566669289385487
Energy: 0.882103581798459
Energy: 0.9292696749831825
Energy: 0.9732619534571801
Energy: 0.9019855723718516
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Energy: 0.8691742803560328
Energy: 0.8492129566796051
Energy: 0.888728936050117
Energy: 0.8907188456879002

minimum gb energy = 0.8449740858213924 eV
minimum distance =  2.18033917896301 Angstroms
sigma value = 401


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

Energy: 0.9604248263204078
Energy: 0.9294383324242296
Energy: 0.929558288433326
Energy: 0.9393803474906459
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Energy: 0.9218435619631155
Energy: 0.9046556093014329
Energy: 0.9296381340986356
Energy: 0.9270781757507316
Energy: 0.9218435619628006
Energy: 0.9329929413649621
Energy: 0.9314551073262071
Energy: 0.8981319430419152
Energy: 0.888095511255885
Energy: 0.9009185340485684
Energy: 0.9314551073258291
Energy: 0.8981319430429227
Energy: 0.8880955112503437
Energy: 0.8939494743494238
Energy: 0.9137345671641767
Energy: 0.9115630644431948
Energy: 0.9023617929140217
Energy: 0.8939494743494238
Energy: 0.9137345671624766
Energy: 0.9115630644418095
Energy: 0.8957001076985065
Energy: 0.9758063931166077
Energy: 0.9124455611104239
Energy: 0.9007209488720482
Energy: 0.8957001076981287
Energy: 0.9758063931183707
Energy: 0.9124455611118092
Energy: 0.8935353788457442
Energy: 0.9575723380597023
Energy: 0.9970067017039124
Energy: 0.9011015881894588
Energy: 0.8935353788464367
Energy: 0.9575723380617803
Energy: 0.9970067017014566
Energy: 0.8923766597839122
Energy: 0.9216556921271375
Energy: 0.9895952818379217
Energy: 0.9565467790715069
Energy: 0.8923766597825269
Energy: 0.9216556921261301
Energy: 0.9852071597035162
Energy: 0.8683113339183887
Energy: 0.9229715327024527
Energy: 0.8913785375352051
Energy: 0.9422156893759187
Energy: 0.8683113339183887
Energy: 0.9229715327045308
Energy: 0.89137853753552
Energy: 0.9252399858214695
Energy: 0.9294383324242296
Energy: 0.9295582884326332
Energy: 0.9393803474899531
Energy: 0.9252399858211546
Energy: 0.9294383324228442
Energy: 0.9295582884336407
Energy: 0.8802226297211743
Energy: 0.9756407036327341
Energy: 0.8943225027153431
Energy: 0.9415334881351306
Energy: 0.880222629719789
Energy: 0.9756407036313488
Energy: 0.8943225027181136

minimum gb energy = 0.8633556812305996 eV
minimum distance =  2.20586707525385 Angstroms
sigma value = 311


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

Energy: 1.0762064579632005
Energy: 0.9981444585371182
Energy: 1.0438069009847042
Energy: 0.9982020547803329
Energy: 1.0762064579632005
Energy: 0.9981444585371182
Energy: 1.0515939594954378
Energy: 1.0870783623124176
Energy: 0.9903527755229605
Energy: 0.9915286288474011
Energy: 0.9713062603152333
Energy: 1.087078362312018
Energy: 0.9903527755225606
Energy: 0.9915286288486008
Energy: 1.009322554247797
Energy: 1.006717979733778
Energy: 1.0176425825252242
Energy: 0.9999029777579114
Energy: 1.009322554247397
Energy: 1.0067179797333778
Energy: 1.0176425825252242
Energy: 0.9997506118030781
Energy: 0.9884196671064536
Energy: 1.104027716305465
Energy: 0.9535070833927591
Energy: 0.9997506118018784
Energy: 0.9884196671064536
Energy: 1.104027716305465
Energy: 1.0352180785421792
Energy: 1.0161973083234699
Energy: 1.0694564367784352
Energy: 0.9940679723421403
Energy: 1.0352180785421792
Energy: 1.0161973083238696
Energy: 1.069456436778035
Energy: 0.9998263340310212
Energy: 0.9654225606994811
Energy: 1.0044196291161402
Energy: 0.9472917361036652
Energy: 0.9998263340334206
Energy: 0.9654225606994811
Energy: 1.0044196291157406
Energy: 1.0059966697471818
Energy: 0.9967024360866606
Energy: 1.0227305463549858
Energy: 0.9861999871036898
Energy: 1.0059966697467821
Energy: 0.9967024360874605
Energy: 1.022730546354586
Energy: 0.9998628212734175
Energy: 1.006651916321312
Energy: 1.0263274636835023
Energy: 0.9815650119958486
Energy: 0.9998628212690187
Energy: 1.006651916321312
Energy: 1.0263274636819029
Energy: 1.0053167504048068
Energy: 0.9793456500172678
Energy: 1.056400707388769
Energy: 0.9852473257940771
Energy: 1.0053167504048068
Energy: 0.979345650016468
Energy: 1.056400707388769
Energy: 0.9879960055135659
Energy: 1.0020777112348604
Energy: 1.1161366447338403
Energy: 0.979214713204542
Energy: 0.9879960055131659
Energy: 1.0020777112352603
Energy: 1.1161366447326406
Energy: 1.0375213885039014
Energy: 0.9596251864035102
Energy: 1.0177170578437595
Energy: 0.945408382847993
Energy: 1.0375213885047012
Energy: 0.95962518640391
Energy: 1.0177170578433599
Energy: 1.0286653400730046
Energy: 1.0066446002952603
Energy: 1.0357500444925085
Energy: 1.031270830508181
Energy: 1.0286653400734045
Energy: 1.0066446002952603
Energy: 1.0357500444929084
Energy: 1.0441425594877753
Energy: 0.9646051003233517
Energy: 1.0489508740388043
Energy: 0.9887576879036736
Energy: 1.0441425594877753
Energy: 0.9646051003229518
Energy: 1.048950874039604
Energy: 0.9784531230432854
Energy: 0.9933184552567148
Energy: 1.0333406677743602
Energy: 1.010267797077474
Energy: 0.9784531230436853
Energy: 0.993318455255915
Energy: 1.0333406677743602
Energy: 1.0266032494016812
Energy: 0.9887763350604726
Energy: 1.0490710730603836
Energy: 0.964590815522542
Energy: 1.0266032494016812
Energy: 0.9887763350604726
Energy: 1.0490710730599835
Energy: 1.0286077266534328
Energy: 1.031317201285383
Energy: 1.0357276040793388
Energy: 1.0066610499905175
Energy: 1.0286077266538325
Energy: 1.0313172012861829
Energy: 1.0357276040813383
Energy: 1.0375805614240767
Energy: 0.9773798775175782
Energy: 1.0175288198645915
Energy: 0.9596312437606788
Energy: 1.0375805614252764
Energy: 0.9773798775171784
Energy: 1.017528819866991
Energy: 0.9960834696643955
Energy: 0.9794587386728244
Energy: 1.0554411860213664
Energy: 1.002112119838399
Energy: 0.9960834696643955
Energy: 0.9794587386728244
Energy: 1.055441186021766
Energy: 1.0054091538474952
Energy: 0.9854369599484908
Energy: 1.047616790742828
Energy: 0.9794372650641436
Energy: 1.0054091538478949
Energy: 0.9854369599484908
Energy: 1.047616790743628
Energy: 0.9998370564762199
Energy: 0.9815650004552676
Energy: 1.0264551116749958
Energy: 1.0065792011687924
Energy: 0.9998370564754202
Energy: 0.9815650004556675
Energy: 1.026455111674596
Energy: 1.0058077468676605
Energy: 0.98624290599006
Energy: 1.075250895565079
Energy: 0.9923178792724935
Energy: 1.0058077468668607
Energy: 0.9862429059904598
Energy: 1.0752508955658786
Energy: 0.999802475272832
Energy: 0.9525935319877231
Energy: 1.0043856135739002
Energy: 0.9563705751658145
Energy: 0.999802475272032
Energy: 0.9525935319877231
Energy: 1.0043856135735005
Energy: 1.035224429680313
Energy: 0.9942033772065285
Energy: 1.0240025639185655
Energy: 1.0162444876516739
Energy: 1.035224429680713
Energy: 0.9942033772053289
Energy: 1.0240025639189656
Energy: 1.0113515572860416
Energy: 0.9538664983140365
Energy: 1.1041310452881976
Energy: 0.9882914421235094
Energy: 1.0113515572860416
Energy: 0.9538664983136366
Energy: 1.1041310452877975
Energy: 1.0093136412554082
Energy: 0.9979611580994839
Energy: 1.0054522041545926
Energy: 1.0143318629993878
Energy: 1.0093136412554082
Energy: 0.997961158099084
Energy: 1.0054522041545926
Energy: 1.0692455769545623
Energy: 0.9712817113930823
Energy: 0.9915940295560821
Energy: 0.9903589498056922
Energy: 1.0692455769545623
Energy: 0.9712817113934822
Energy: 0.9915940295548824
Energy: 1.0762064579648
Energy: 0.9981444585367183
Energy: 1.0265294829379117
Energy: 0.9982020547815325
Energy: 1.0762064579648
Energy: 0.9981444585371182
Energy: 1.0265294829395113
Energy: 1.0692827988288391
Energy: 1.0029538689547133
Energy: 0.9915286288502005
Energy: 0.9713062603144335
Energy: 1.0692827988288391
Energy: 1.0029538689543136
Energy: 0.9915286288494006
Energy: 1.0146376291856594
Energy: 1.0067179797333778
Energy: 1.0098763495181997
Energy: 0.9980285879013794
Energy: 1.0146376291856594
Energy: 1.0067179797325783
Energy: 1.0098763495177996
Energy: 0.9997506118026783
Energy: 0.9884196671076533
Energy: 1.1040277163050651
Energy: 0.9535070833915594
Energy: 0.9997506118022784
Energy: 0.9884196671064536
Energy: 1.1040277163046652
Energy: 1.0352180785413794
Energy: 1.0161973083238696
Energy: 1.022125806885751
Energy: 0.99406797234294
Energy: 1.0352180785405796
Energy: 1.0161973083234699
Energy: 1.022125806886151
Energy: 0.9998263340346203
Energy: 0.956459719727305
Energy: 1.0044196291113416
Energy: 0.9877931651646803
Energy: 0.9998263340342204
Energy: 0.956459719727305
Energy: 1.0044196291121414
Energy: 1.0059966697471818
Energy: 0.9906406218238485
Energy: 0.9788626277951523
Energy: 0.9861999871096884
Energy: 1.0059966697471818
Energy: 0.9906406218226487
Energy: 0.9788626277951523
Energy: 0.9998628212694185
Energy: 1.0066519163217118
Energy: 1.0263274636823025
Energy: 0.981565011997848
Energy: 0.9998628212698184
Energy: 1.0066519163209118
Energy: 1.026327463680703
Energy: 1.0139408808510086
Energy: 0.9793456500156682
Energy: 1.0475473150174983
Energy: 0.9852473257932773
Energy: 1.0139408808514088
Energy: 0.9793456500160681
Energy: 1.0475473150162986
Energy: 0.9879960055135659
Energy: 1.002077711232861
Energy: 1.0556695873610609
Energy: 0.9792147132061417
Energy: 0.9879960055135659
Energy: 1.002077711232861
Energy: 1.055669587361861

minimum gb energy = 0.945408382847993 eV
minimum distance =  2.19328201551429 Angstroms
sigma value = 39


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

Energy: 1.0319262079875617
Energy: 1.001902698488159
Energy: 1.0384323952132353
Energy: 1.0066343742169042
Energy: 1.0319262079880336
Energy: 1.0019026984876869
Energy: 1.0384323952127632
Energy: 0.9720296781690608
Energy: 1.0378844800170473
Energy: 0.8907884386812374
Energy: 1.083966977576491
Energy: 0.9720296781685888
Energy: 1.037884480017991
Energy: 0.8907884386798216
Energy: 0.9889379621823762
Energy: 0.9602477799909043
Energy: 0.9915545524767745
Energy: 0.9642513269499605
Energy: 0.988937962183792
Energy: 0.9602477799899602
Energy: 0.9915545524763025
Energy: 0.9786783677003235
Energy: 1.041377071489749
Energy: 0.9817664380742007
Energy: 0.9805399876021584
Energy: 0.9786783677017394
Energy: 1.041377071489277
Energy: 0.9817664380746725
Energy: 1.0443885747866801
Energy: 0.9539480890381752
Energy: 1.0282666831783185
Energy: 1.000815930916224
Energy: 1.0443885747862083
Energy: 0.953948089039119
Energy: 1.0282666831773744
Energy: 0.9990908276633997
Energy: 0.9598324599356145
Energy: 1.0647807613317335
Energy: 0.9804704962717787
Energy: 0.9990908276629278
Energy: 0.9598324599351425
Energy: 1.0647807613312619
Energy: 1.0579852191316297
Energy: 0.9536517472612775
Energy: 0.9398028300253229
Energy: 1.0042671981230944
Energy: 1.0579852191302137
Energy: 0.9536517472617496
Energy: 0.9371645827398631
Energy: 0.9788785445195998
Energy: 0.973595385704901
Energy: 1.0460183235530334
Energy: 0.8920904822233626
Energy: 0.9788785445195998
Energy: 0.9735953857053731
Energy: 1.0460183235520892
Energy: 1.0574870072564306
Energy: 0.9632054333231683
Energy: 1.0315563167665753
Energy: 1.010111926671499
Energy: 1.0574870072573743
Energy: 0.9632054333222243
Energy: 1.0164042358144059
Energy: 0.9786754984262096
Energy: 0.9805934194127739
Energy: 1.1411023026962392
Energy: 1.0035490742861402
Energy: 0.9786754984266817
Energy: 0.9805934194127739
Energy: 1.1411023026962392
Energy: 1.011952686263007
Energy: 0.9642364966920394
Energy: 0.9710196577228077
Energy: 1.0054701161402324
Energy: 1.011952686262535
Energy: 0.9642364966920394
Energy: 0.9798177368802262
Energy: 0.97719037880504
Energy: 0.9801366150875435
Energy: 0.9435512238855354
Energy: 1.038011243459832
Energy: 0.9771903788045679
Energy: 0.9801366150884874
Energy: 0.9435512238855354
Energy: 0.9892172430826087
Energy: 0.9963395122904289
Energy: 0.9921059413083091
Energy: 0.9084121170993991
Energy: 0.9892172430811929
Energy: 0.9963395122904289
Energy: 0.9853383033244189
Energy: 0.9692509683935129
Energy: 1.0380216854616986
Energy: 0.8880847797083713
Energy: 1.0734223678742913
Energy: 0.969250968393041
Energy: 1.0380216854612265
Energy: 0.8880847797074274
Energy: 1.0120458175493756
Energy: 1.0019026984905186
Energy: 1.0384355497627158
Energy: 1.0066343742117125
Energy: 1.0120458175484315
Energy: 1.0019026984909905
Energy: 1.0274728008489433
Energy: 0.9720296781685888
Energy: 1.0378844800151592
Energy: 0.8907884386793495
Energy: 1.072745505743634
Energy: 0.9720296781700046
Energy: 1.0378844800146871
Energy: 0.8907884386784056
Energy: 0.9889379621809603
Energy: 0.9696600829419633
Energy: 0.9915545524791343
Energy: 0.9642513269499605
Energy: 0.9889379621819041
Energy: 0.9696600829414913
Energy: 0.9915545524781904
Energy: 0.9786783677022113
Energy: 1.041377071487861
Energy: 0.9817664380765605
Energy: 0.9805399876021584
Energy: 0.9786783677017394
Energy: 1.041377071489277
Energy: 0.9817664380742007
Energy: 1.0301893584304016
Energy: 0.953948089040063
Energy: 1.0282666831787906
Energy: 1.000815930916696
Energy: 1.0301893584313457
Energy: 0.953948089039119
Energy: 1.0282666831783185
Energy: 1.022406505851223
Energy: 0.9598324599370306
Energy: 1.0647807613317335
Energy: 0.9804704962708347
Energy: 1.0224065058516951
Energy: 0.9598324599370306
Energy: 1.0647807613303177
Energy: 1.0579852191292698
Energy: 0.9536517472617496
Energy: 0.974191305160766
Energy: 0.9999526368453593
Energy: 1.0579852191292698
Energy: 0.9536517472626935
Energy: 0.9719787108858134
Energy: 0.978878544518184
Energy: 0.9716983448735192
Energy: 1.0460183235530334
Energy: 0.8920904822247786
Energy: 0.9788785445186561
Energy: 0.9716983448735192
Energy: 1.0460183235535052
Energy: 1.0574870072602065
Energy: 0.9632054333226963
Energy: 1.0515202682851097
Energy: 1.010111926671027
Energy: 1.0574870072597344
Energy: 0.9632054333226963
Energy: 1.033877507709284
Energy: 0.9980199521923401
Energy: 0.9805934194137178
Energy: 1.1411023026957674
Energy: 1.0035490742856683
Energy: 0.9980199521909242
Energy: 0.9805934194151337
Energy: 1.1411023026962392
Energy: 1.011952686264423
Energy: 0.9642364966901514
Energy: 1.0872559974083609
Energy: 1.0058812314465657
Energy: 1.0119526862634791
Energy: 0.9642364966915674
Energy: 1.0872559974064728
Energy: 0.9771903788040961
Energy: 0.9801366150884874
Energy: 0.9503673398676117
Energy: 1.038011243460304
Energy: 0.9771903788040961
Energy: 0.9801366150880154
Energy: 0.9503673398690275
Energy: 0.9892172430830806
Energy: 0.9963395122890131
Energy: 0.9614366729128391
Energy: 0.9084121171003431
Energy: 0.9892172430840245
Energy: 0.996339512288541
Energy: 0.961436672914255
Energy: 0.969250968393985
Energy: 1.0380216854612265
Energy: 0.8880847797069555
Energy: 1.0734223678733472
Energy: 0.9692509683935129
Energy: 1.0380216854616986
Energy: 0.8880847797055395
Energy: 0.9891119106703203
Energy: 1.001902698488159
Energy: 1.028079717376149
Energy: 1.0066343742145445
Energy: 0.9891119106707924
Energy: 1.0019026984886308
Energy: 1.038435549758468
Energy: 0.9720296781690608
Energy: 1.0378844800161033
Energy: 0.8907884386807655
Energy: 1.0528662446303845
Energy: 0.9720296781685888
Energy: 1.0378844800151592
Energy: 0.8907884386802934

minimum gb energy = 0.8880847797055395 eV
minimum distance =  2.27473923916581 Angstroms
sigma value = 21


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

Energy: 1.057810959224196
Energy: 1.076285980845113
Energy: 1.0396855847184074
Energy: 1.095743412430887
Energy: 1.057810959224196
Energy: 1.07628598084454
Energy: 1.0396855847184074
Energy: 1.0753149880904183
Energy: 0.9781678232508968
Energy: 1.0003543957035899
Energy: 1.002714200447857
Energy: 1.0753149880909914
Energy: 0.9781678232503239
Energy: 1.0003543957030168
Energy: 1.0055977183556208
Energy: 1.0215749354645705
Energy: 0.9881273523219359
Energy: 0.9912925694268736
Energy: 1.0055977183556208
Energy: 1.0215749354645705
Energy: 0.9881273523230818
Energy: 1.0691378134284009
Energy: 1.0039801240091442
Energy: 1.0215406898721076
Energy: 0.9740192789199573
Energy: 1.069137813427828
Energy: 1.0039801240091442
Energy: 1.0215406898703885
Energy: 0.9939139243738335
Energy: 1.0630206929250596
Energy: 0.9915308278727858
Energy: 1.0113905823340652
Energy: 0.9939139243738335
Energy: 1.0630206929250596
Energy: 0.9915308278722128
Energy: 1.0664343622411818
Energy: 0.9953437831041928
Energy: 1.0529036813048862
Energy: 0.9732065716117391
Energy: 1.0664343622417545
Energy: 0.9953437831047658
Energy: 1.0529036813037402
Energy: 1.0132633305721312
Energy: 1.016915406639095
Energy: 0.9903365693741291
Energy: 1.0123133503268102
Energy: 1.0132633305709853
Energy: 1.016915406639095
Energy: 0.9903365693741291
Energy: 1.0317287610159018
Energy: 1.0069152132424302
Energy: 1.0536491827291476
Energy: 0.9995850628551661
Energy: 1.0317287610159018
Energy: 1.0069152132452948
Energy: 1.0536491827297207
Energy: 1.013185097926276
Energy: 0.9712518954437401
Energy: 1.0191273074404812
Energy: 1.0139093610102725
Energy: 1.0131850979274217
Energy: 0.971251895444313
Energy: 1.0191273074410538
Energy: 1.025905625409034
Energy: 0.9986032818126526
Energy: 0.9990292158411208
Energy: 0.9916162048744732
Energy: 1.025905625409607
Energy: 0.9986032818115067
Energy: 0.9990292158416938
Energy: 1.0478632433959123
Energy: 0.9709566017543899
Energy: 1.0356043245520095
Energy: 0.9836902648355742
Energy: 1.0478632433959123
Energy: 0.9709566017543899
Energy: 1.0356043245531554
Energy: 0.9545059385218047
Energy: 0.9712152699024761
Energy: 1.0079102283198278
Energy: 0.9648822285834896
Energy: 0.9545059385218047
Energy: 0.9712152699024761
Energy: 1.0079102283209735
Energy: 1.0552837140797542
Energy: 0.9709757952582246
Energy: 0.9960005804912749
Energy: 0.9839694205200933
Energy: 1.0552837140797542
Energy: 0.9709757952582246
Energy: 0.996000580490702
Energy: 0.933908894954754
Energy: 1.0407656914549421
Energy: 1.0196546589510884
Energy: 0.9652761438988199
Energy: 0.9339088949541811
Energy: 1.0407656914549421
Energy: 1.0196546589510884
Energy: 1.076945499253236
Energy: 0.940548816245937
Energy: 0.9822035238671609
Energy: 0.9978087735721706
Energy: 1.0769454992520902
Energy: 0.9405488162453641
Energy: 0.982203523866588
Energy: 0.9959251146593802
Energy: 1.0609298881004936
Energy: 1.007716450786561
Energy: 1.0295000725144043
Energy: 0.9959251146593802
Energy: 1.0609298881010667
Energy: 1.007716450786561
Energy: 1.0767385411598138
Energy: 0.9403827177072986
Energy: 1.0364983158774745
Energy: 0.9982843081441303
Energy: 1.0767385411603865
Energy: 0.9403827177084444
Energy: 1.0364983158780474
Energy: 0.9345606938714514
Energy: 1.053627610215285
Energy: 1.019681672632873
Energy: 1.048771758077754
Energy: 0.9345606938703053
Energy: 1.0536276102147122
Energy: 1.019681672632873
Energy: 1.0356431669434272
Energy: 0.9455507326372533
Energy: 1.0826767930924521
Energy: 0.9595956426038131
Energy: 1.0356431669434272
Energy: 0.9455507326378263
Energy: 1.0826767930924521
Energy: 0.933856454672232
Energy: 1.0517628055953585
Energy: 1.0128615639062806
Energy: 1.0570956513217407
Energy: 0.9338564546716591
Energy: 1.0517628055959316
Energy: 1.0128615639062806
Energy: 1.044461353601561
Energy: 0.9720001089669609
Energy: 1.0794148899601594
Energy: 0.9405854791785085
Energy: 1.044461353601561
Energy: 0.9720001089675339
Energy: 1.0794148899601594
Energy: 0.93560924684816
Energy: 1.0599919436740917
Energy: 1.0139190211010283
Energy: 1.0122629665550797
Energy: 0.9356092468470142
Energy: 1.0599919436735186
Energy: 1.0139190211004554
Energy: 1.076922960415607
Energy: 0.9790801952666062
Energy: 1.0329822889140567
Energy: 1.0179023645742813
Energy: 1.076922960415607
Energy: 0.9790801952660334
Energy: 1.0329822889146298
Energy: 0.9355455434117481
Energy: 1.0152696515095774
Energy: 1.0079302550573848
Energy: 1.0608165219111598
Energy: 0.9355455434123211
Energy: 1.0152696515090045
Energy: 1.0079302550596763
Energy: 1.0769010255495877
Energy: 0.9796507859817205
Energy: 1.095159941040934
Energy: 1.026952819901279
Energy: 1.0769010255495877
Energy: 0.9796507859805745
Energy: 1.0951599410420798

minimum gb energy = 0.9338564546716591 eV
minimum distance =  2.16353432689366 Angstroms
sigma value = 113


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

Energy: 0.8931104718149698
Energy: 0.9685107416781662
Energy: 0.9368201260024612
Energy: 0.968474131821386
Energy: 0.8931104718117722
Energy: 0.9685107416813639
Energy: 0.9368201260056589
Energy: 0.9539683508712118
Energy: 0.9226376986254257
Energy: 0.9357705412090807
Energy: 0.9226173612735693
Energy: 0.9539683508712118
Energy: 0.9226376986254257
Energy: 0.9357705412090807
Energy: 0.8933184316521846
Energy: 0.9265925012566008
Energy: 0.9276543467376753
Energy: 0.9176679163868025
Energy: 0.893318431648987
Energy: 0.9265925012566008
Energy: 0.927654346740873
Energy: 0.8550008241212298
Energy: 0.9225545057712188
Energy: 0.8563853801004244
Energy: 0.9086700333775906
Energy: 0.8550008241244273
Energy: 0.9225545057712188
Energy: 0.8563853800972268
Energy: 0.9378093736446358
Energy: 0.8788756285644473
Energy: 0.9350419103979059
Energy: 0.8583180277050517
Energy: 0.9378093736446358
Energy: 0.8788756285644473
Energy: 0.9350419103979059
Energy: 0.8563891550325095
Energy: 0.8635129859727458
Energy: 0.8682903958961841
Energy: 0.870867085856077
Energy: 0.8563891550325095
Energy: 0.8635129859727458
Energy: 0.8682903958961841
Energy: 0.8825857683236095
Energy: 0.8787579416768718
Energy: 0.9204922266332948
Energy: 0.8662382185316071
Energy: 0.8825857683236095
Energy: 0.8787579416768718
Energy: 0.9204922266332948
Energy: 0.8544521246515125
Energy: 0.8772694056440143
Energy: 0.9503302380919593
Energy: 0.872307695825796
Energy: 0.8544521246515125
Energy: 0.8772694056440143
Energy: 0.9503302380919593
Energy: 0.8828168343761559
Energy: 0.8540613469214
Energy: 0.9075031891885494
Energy: 0.8568994028614821
Energy: 0.8828168343761559
Energy: 0.8540613469182023
Energy: 0.9075031891917471
Energy: 0.8488118816447743
Energy: 0.8770882660259417
Energy: 0.9221192388309939
Energy: 0.8555151573150053
Energy: 0.8488118816447743
Energy: 0.8770882660259417
Energy: 0.9221192388309939
Energy: 0.8836161890147323
Energy: 0.8657795145554598
Energy: 0.9455068893057441
Energy: 0.8555367056779601
Energy: 0.8836161890179299
Energy: 0.8657795145586572
Energy: 0.9455068893025466
Energy: 0.8488827596534088
Energy: 0.8719016404935321
Energy: 0.910797124412468
Energy: 0.8730721744473621
Energy: 0.8488827596534088
Energy: 0.8719016404935321
Energy: 0.9107971244060727
Energy: 0.8831315224040379
Energy: 0.8670107739204149
Energy: 1.0022901956489787
Energy: 0.8749692861398117
Energy: 0.8831315224040379
Energy: 0.8670107739204149
Energy: 0.9823091010019541
Energy: 0.8811457864422135
Energy: 0.8895201238580461
Energy: 0.9125663044863885
Energy: 0.9200979384940957
Energy: 0.881145786445411
Energy: 0.8895201238580461
Energy: 0.9125663044767958
Energy: 0.8831502565925077
Energy: 0.8834782358099551
Energy: 0.8661899952737582
Energy: 0.9082058474936766
Energy: 0.8831502565957053
Energy: 0.8834782358099551
Energy: 0.892880893861168
Energy: 0.8804082561272681
Energy: 0.8734018028924475
Energy: 0.9218473447629042
Energy: 0.8725293729061464
Energy: 0.8804082561304659
Energy: 0.8734018028924475
Energy: 0.9218473447692993
Energy: 0.9269772665432106
Energy: 0.8670633427353324
Energy: 0.9451008931397531
Energy: 0.875158284634973
Energy: 0.9269772665368152
Energy: 0.8670633427353324
Energy: 0.945100893133358
Energy: 0.8487969006006592
Energy: 0.8681570084475966
Energy: 0.9178965813939671
Energy: 0.88734293173273
Energy: 0.8487969006038568
Energy: 0.8681570084443989
Energy: 0.9178965813939671
Energy: 0.9269106102411211
Energy: 0.9390634779879674
Energy: 0.9436779148178104
Energy: 0.894060294357236
Energy: 0.9269106102379234
Energy: 0.9390634779879674
Energy: 0.94367791480502
Energy: 0.850876917454077
Energy: 0.878574246292776
Energy: 0.9323327781255163
Energy: 0.8655755178710982
Energy: 0.8508769174572166
Energy: 0.8785742462959737
Energy: 0.9323327781223185
Energy: 0.8961512989952719
Energy: 0.8740316083496836
Energy: 0.9237445942161973
Energy: 0.8999220990767816
Energy: 0.8961512989984696
Energy: 0.8740316083496836
Energy: 0.9237445942161973
Energy: 0.8507278925452695
Energy: 0.8779332772344558
Energy: 0.9390394026808319
Energy: 0.8819273907041962
Energy: 0.8507278925452695
Energy: 0.8779332772312582
Energy: 0.9390394026808319
Energy: 0.8962541569168649
Energy: 0.8763503939770643
Energy: 0.8750745003697198
Energy: 0.9242661961697116
Energy: 0.8962541569168649
Energy: 0.8763503939802619
Energy: 0.8750745003633245
Energy: 0.8779887234292414
Energy: 0.8761519053884659
Energy: 0.929794021976556
Energy: 0.8816158837498987
Energy: 0.8779887234292414
Energy: 0.8761519053884659
Energy: 0.929794021976556
Energy: 0.8958611684532626
Energy: 0.9234268855261375
Energy: 0.9007541428652902
Energy: 0.9772251294926987
Energy: 0.8958611684500648
Energy: 0.9234268855261375
Energy: 0.9007541428652902
Energy: 0.8872778253661312
Energy: 0.9729979230563771
Energy: 0.9882161605310741
Energy: 0.9296671729594436
Energy: 0.8872778253661312
Energy: 0.9729979230563771
Energy: 0.9882161605310741
Energy: 0.9507221609983599
Energy: 0.9211944486573115
Energy: 0.8689406730821718
Energy: 0.9651718306073422
Energy: 0.9507221609983599
Energy: 0.9211944486573115
Energy: 0.8689406730821718
Energy: 0.885796496004411
Energy: 0.9506954601811037
Energy: 0.9089720963052604
Energy: 1.000062607564807
Energy: 0.8857964960012132
Energy: 0.9506954601811037
Energy: 0.9089720963148533
Energy: 0.9620208752874796
Energy: 0.9213686423721411
Energy: 0.8405159911015057
Energy: 0.9649106470708205
Energy: 0.962020875284282
Energy: 0.9213686423721411
Energy: 0.8405159911015057
Energy: 0.8858611780265937
Energy: 0.9151541111744087
Energy: 0.9869309166669692
Energy: 0.9249195180866114
Energy: 0.8858611780297914
Energy: 0.9151541111712109
Energy: 0.9869309166669692
Energy: 0.9061280652502192
Energy: 0.9209166400052772
Energy: 0.873583701876727
Energy: 0.9620300090355728
Energy: 0.9061280652502192
Energy: 0.9209166400020795
Energy: 0.873583701876727
Energy: 0.8868947170212005
Energy: 0.8750942890211809
Energy: 0.9421851901996464
Energy: 0.8765133319046338
Energy: 0.8868947170212005
Energy: 0.8750942890211809
Energy: 0.9421851901996464
Energy: 0.9060862098115255
Energy: 0.8874900232929555
Energy: 0.8745011153983939
Energy: 0.9241014977603723
Energy: 0.9060862098115255
Energy: 0.8874900232897579
Energy: 0.8745011154015916
Energy: 0.8963240320427022
Energy: 0.8746936948031788
Energy: 0.9136369676917225
Energy: 0.8945459423970026
Energy: 0.8963240320427022
Energy: 0.8746936948063764
Energy: 0.9136369676949202
Energy: 0.9092515461904899
Energy: 0.8878052058592262
Energy: 0.9523000528969138
Energy: 0.9292347470176188
Energy: 0.9092515461904899
Energy: 0.8878052058592262
Energy: 0.9523000528969138
Energy: 0.8963063770046095
Energy: 0.8675605086887744
Energy: 0.9192731903265657
Energy: 0.8768748077844679
Energy: 0.8963063770078069
Energy: 0.8675605086855769
Energy: 0.9192731903265657
Energy: 0.9087981181993475
Energy: 0.8994287068785861
Energy: 0.9221188617919106
Energy: 0.9336910194204951
Energy: 0.9087981181993475
Energy: 0.8994287068785861
Energy: 0.9221188617919106
Energy: 0.8887952028972133
Energy: 0.8857630617053883
Energy: 0.9005651033336901
Energy: 0.8766984362912269
Energy: 0.8887952028972133
Energy: 0.8857630617053883
Energy: 0.9005651033368877
Energy: 0.9088110674416128
Energy: 0.9152876358108852
Energy: 0.9698854866324499
Energy: 0.9263052906877877
Energy: 0.9088110674416128
Energy: 0.9152876358108852
Energy: 0.9698854866356476
Energy: 0.8896302134562374
Energy: 0.9362755411465905
Energy: 0.9288153333845495
Energy: 0.9235055528283417
Energy: 0.889630213459435
Energy: 0.936275541143393
Energy: 0.9288153333813519
Energy: 0.9211696155212077
Energy: 0.9493593300246176
Energy: 0.911906021528158
Energy: 0.9254641171494248
Energy: 0.9211696155244051
Energy: 0.9493593300246176
Energy: 0.911906021528158
Energy: 0.8897732992918509
Energy: 0.9273906966592691
Energy: 0.9779214669935435
Energy: 0.9323013140624065
Energy: 0.8897732992918509
Energy: 0.9273906966560713
Energy: 0.9779214669967412
Energy: 0.8711220502392565
Energy: 0.9494129286854887
Energy: 0.9490976291936226
Energy: 0.923049445770817
Energy: 0.8711220502360589
Energy: 0.9494129286854887
Energy: 0.9490976291936226
Energy: 0.8898412497459777
Energy: 0.9130535691215569
Energy: 0.959603653589258
Energy: 0.8897843441072584
Energy: 0.8898412497427801
Energy: 0.9130535691247545
Energy: 0.959603653589258
Energy: 0.8474615451977071
Energy: 0.9449016260548421
Energy: 0.9499761113695988
Energy: 0.9500268703448359
Energy: 0.8474615451977071
Energy: 0.9449016260516444
Energy: 0.9499761113727964

minimum gb energy = 0.8405159911015057 eV
minimum distance =  2.15385802973337 Angstroms
sigma value = 365


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

Energy: 0.9309206181555683
Energy: 0.8505627710698361
Energy: 0.8070556462079507
Energy: 0.8505627710719988
Energy: 0.9309206181591728
Energy: 0.8505627710698361
Energy: 0.9023003062928647
Energy: 0.9309206181577309
Energy: 0.8505627710712779
Energy: 0.910574931283798
Energy: 0.850562771070557
Energy: 0.9309206181577309
Energy: 0.8505627710698361
Energy: 0.7471470134869265
Energy: 0.9309206181591728
Energy: 0.8505627710719988
Energy: 0.9704572774433443
Energy: 0.8505627710683942
Energy: 0.9309206181577309
Energy: 0.8505627710698361
Energy: 0.9704572774462281
Energy: 0.9309206181555683
Energy: 0.8505627710683942
Energy: 0.9552719187196195
Energy: 0.8505627710691152
Energy: 0.9309206181577309
Energy: 0.8505627710698361
Energy: 0.9552719187232241
Energy: 0.9309206181598938
Energy: 0.8505627710683942
Energy: 1.0341299750820043
Energy: 0.8505627710719988
Energy: 0.9309206181598938
Energy: 0.8505627710669522
Energy: 0.7476777917873125
Energy: 0.9309206181598938
Energy: 0.850562771070557
Energy: 0.902300306290702
Energy: 0.8505627710712779
Energy: 0.9309206181591728
Energy: 0.8505627710662312
Energy: 0.747677791780103
Energy: 0.9309206181591728
Energy: 0.8505627710676732
Energy: 0.9552719187081172
Energy: 0.850562771070557
Energy: 0.9309206181562892
Energy: 0.8505627710676732
Energy: 0.7945670586729681
Energy: 0.9309206181570101
Energy: 0.8505627710691152
Energy: 0.9819802616736474
Energy: 0.8505627710683942
Energy: 0.9309206181577309
Energy: 0.850562771070557
Energy: 0.9819802616736474
Energy: 0.9309206181584518
Energy: 0.8505627710676732
Energy: 0.7471470134847636
Energy: 0.8505627710698361
Energy: 0.9309206181577309
Energy: 0.8505627710691152
Energy: 0.9023003062870973
Energy: 0.9309206181541263
Energy: 0.8505627710698361
Energy: 0.9023003062870973
Energy: 0.8505627710712779
Energy: 0.9309206181548473
Energy: 0.8505627710683942
Energy: 0.9023003062878182
Energy: 0.9309206181562892
Energy: 0.8505627710676732
Energy: 0.7476777917772192
Energy: 0.8505627710691152
Energy: 0.9309206181591728
Energy: 0.8505627710691152
Energy: 0.7476777917764984
Energy: 0.9309206181534053
Energy: 0.8505627710683942
Energy: 0.7471470134826009
Energy: 0.850562771070557
Energy: 0.9309206181548473
Energy: 0.8505627710669522
Energy: 0.7471470134804381
Energy: 0.9309206181541263
Energy: 0.8505627710712779
Energy: 0.74714701348188
Energy: 0.8505627710683942
Energy: 0.9309206181562892
Energy: 0.8505627710676732
Energy: 0.7471470134804381
Energy: 0.9309206181534053
Energy: 0.850562771070557
Energy: 0.7471470134804381
Energy: 0.8505627710712779
Energy: 0.9309206181555683
Energy: 0.8505627710676732
Energy: 0.7471470134775543
Energy: 0.9309206181584518
Energy: 0.8505627710698361
Energy: 0.7471470134768334
Energy: 0.8505627710691152
Energy: 0.9309206181555683
Energy: 0.850562771070557
Energy: 0.7471470134797171
Energy: 0.9309206181548473
Energy: 0.8505627710691152
Energy: 0.7471470134768334
Energy: 0.8505627710676732
Energy: 0.9309206181548473
Energy: 0.8505627710712779
Energy: 0.7471470134782753
Energy: 0.9309206181555683
Energy: 0.8505627710683942
Energy: 0.7471470134768334
Energy: 0.850562771070557
Energy: 0.9309206181584518
Energy: 0.8505627710691152
Energy: 0.7471470134775543
Energy: 0.9309206181584518
Energy: 0.8505627710683942
Energy: 0.7471470134775543
Energy: 0.8505627710683942
Energy: 0.9309206181577309
Energy: 0.850562771070557
Energy: 0.7471470134775543
Energy: 0.9309206181570101
Energy: 0.850562771070557
Energy: 0.7471470134775543
Energy: 0.8505627710712779
Energy: 0.9309206181562892
Energy: 0.8505627710691152
Energy: 0.7471470134753915
Energy: 0.9309206181555683
Energy: 0.8505627710698361
Energy: 0.7471470134739495
Energy: 0.8505627710698361
Energy: 0.9309206181584518
Energy: 0.8505627710691152
Energy: 0.7471470134746705

minimum gb energy = 0.7471470134739495 eV
minimum distance =  2.36888831998874 Angstroms
sigma value = 23