Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338475299679
mass=55.845
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: 0.01618664555594226
Energy: 0.41111539458136753
Energy: 0.0161866455563513
Energy: 0.41111539458173113
Energy: 0.0161866455563513
Energy: 0.41111539458136753
Energy: 0.0161866455563513
Energy: 0.017455846607872777
Energy: 0.657863051977267
Energy: 0.017455846607872777
Energy: 0.6578630519776306
Energy: 0.017455846607463736
Energy: 0.657863051976858
Energy: 0.017455846607872777
Energy: 0.4474587599532212
Energy: 0.9150148269424266
Energy: 0.4474587599544483
Energy: 0.9150148269428356
Energy: 0.44745875995363027
Energy: 0.9150148269428356
Energy: 0.4474587599544483
Energy: 0.017455846608281818
Energy: 0.6578630519776306
Energy: 0.017455846608281818
Energy: 0.657863051977267
Energy: 0.017455846608281818
Energy: 0.657863051977267
Energy: 0.017455846608281818
Energy: 0.01618664555594226
Energy: 0.4111153945825492
Energy: 0.0161866455563513
Energy: 0.41111539458173113
Energy: 0.01618664555594226
Energy: 0.41111539458136753
Energy: 0.01618664555594226
Energy: 0.01745584660869086
Energy: 0.657863051977267
Energy: 0.017455846608281818
Energy: 0.657863051977267
Energy: 0.017455846608281818
Energy: 0.6578630519780397
Energy: 0.017455846607872777

minimum gb energy = 0.01618664555594226 eV
minimum distance =  2.47208384779638 Angstroms
sigma value = 5


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

Energy: 1.4618548178326478
Energy: 1.9062133815791964
Energy: 1.4618548178331363
Energy: 1.906213381579685
Energy: 1.4618548178326478
Energy: 1.9062133815806623
Energy: 1.4618548178316706
Energy: 1.582094186925324
Energy: 1.5935420052269298
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Energy: 1.5935420052288845
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Energy: 1.502583867802743
Energy: 1.2642607041498797
Energy: 1.3243544156403606
Energy: 1.4356730607631407
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Energy: 1.3987645614017299
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Energy: 1.398764561400264
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Energy: 1.4500909890755362
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Energy: 1.27733972584047
Energy: 1.4375541588627636
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Energy: 1.4375541588622749
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Energy: 1.545392985252161
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Energy: 1.4048944920318003
Energy: 1.650840373547522
Energy: 1.4048944920327775
Energy: 1.6508403735470334
Energy: 1.4048944920318003
Energy: 1.6508403735460564
Energy: 1.4048944920327775
Energy: 1.4701688244854958
Energy: 1.651047819566735
Energy: 1.4701688244825641
Energy: 1.651047819566735
Energy: 1.47016882448403
Energy: 1.6510478195672238
Energy: 1.470168824485007
Energy: 1.4494933584137715
Energy: 1.3966894745846727
Energy: 1.449493358412794
Energy: 1.3966894745866274
Energy: 1.4494933584132828
Energy: 1.3966894745851615
Energy: 1.4494933584132828
Energy: 1.4421032058764593
Energy: 1.3751130671023493
Energy: 1.4421032058740164
Energy: 1.3751130671023493
Energy: 1.4421032058749936
Energy: 1.3751130671023493
Energy: 1.4421032058764593
Energy: 1.318561378125025
Energy: 1.4181024268156897
Energy: 1.318561378125025
Energy: 1.4181024268156897
Energy: 1.3185613781240477
Energy: 1.418102426815201
Energy: 1.3185613781225818
Energy: 1.4166996026979286
Energy: 1.4128524868130279
Energy: 1.4166996026979286
Energy: 1.412852486810096
Energy: 1.4166996026979286
Energy: 1.4128524868130279
Energy: 1.4166996026969514

minimum gb energy = 1.2642607041479252 eV
minimum distance =  2.30036385780248 Angstroms
sigma value = 401


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

Energy: 1.5581803566265766
Energy: 1.5679053733025297
Energy: 1.468700548468755
Energy: 1.5679053733019752
Energy: 1.5581803566276857
Energy: 1.5679053733030843
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Energy: 1.505389121111912
Energy: 1.5071886598372413
Energy: 1.4915916976523724
Energy: 1.507206749268507
Energy: 1.4916024545136934
Energy: 1.5071886598366868
Energy: 1.4915916976540364
Energy: 1.507206749267398
Energy: 1.39567724267057
Energy: 1.439717240230659
Energy: 1.395752225059422
Energy: 1.439717240230659
Energy: 1.39567724267057
Energy: 1.439717240230659
Energy: 1.395752225059422
Energy: 1.2867442494332049
Energy: 1.517423709992383
Energy: 1.2866959614765783
Energy: 1.517423709992938
Energy: 1.2867442494315406
Energy: 1.5174237099901648
Energy: 1.2866959614787967
Energy: 1.3911454056447785
Energy: 1.4045241870110607
Energy: 1.3911454056426105
Energy: 1.4045241870099514
Energy: 1.3911454056431147
Energy: 1.404524187009397
Energy: 1.3911454056426105
Energy: 1.325414613009519
Energy: 1.5521251507514535
Energy: 1.3254146130089646
Energy: 1.5521251507531177
Energy: 1.325414613006746
Energy: 1.5521251507536724
Energy: 1.32541461300841
Energy: 1.4687005484676456
Energy: 1.5679053733030843
Energy: 1.468700548468755
Energy: 1.5679053733014205
Energy: 1.4687005484682003
Energy: 1.5679053733025297
Energy: 1.468700548468755
Energy: 1.2593708676673225
Energy: 1.5885017213800066
Energy: 1.2593708676689863
Energy: 1.588225942751274
Energy: 1.2593708676689863
Energy: 1.5885017213788977
Energy: 1.2593708676689863

minimum gb energy = 1.2593708676673225 eV
minimum distance =  2.30188987233146 Angstroms
sigma value = 311


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

Energy: 1.4752304826068583
Energy: 1.6801741638852092
Energy: 1.475230482608139
Energy: 1.6801741638858494
Energy: 1.4752304826087506
Energy: 1.6801741638858494
Energy: 1.4752304826087506
Energy: 1.483878556175291
Energy: 1.3408980744586734
Energy: 1.4838785561746506
Energy: 1.3408980744593137
Energy: 1.4838785561746506
Energy: 1.3408980744593137
Energy: 1.483878556175291
Energy: 1.3741260477480466
Energy: 1.4856600464781196
Energy: 1.3741260477480466
Energy: 1.48566004647876
Energy: 1.3741260477486872
Energy: 1.4856600464781196
Energy: 1.3741260477486872
Energy: 1.5566444698710111
Energy: 1.5733565479950988
Energy: 1.5566444698710111
Energy: 1.5733565479957392
Energy: 1.5566444698716515
Energy: 1.5733565479950988
Energy: 1.5566444698716515
Energy: 1.4851657554754427
Energy: 1.5117451524016963
Energy: 1.4851657554754427
Energy: 1.5117451524016963
Energy: 1.485165755476083
Energy: 1.5117451524004153
Energy: 1.485165755476083
Energy: 1.3354949972217038
Energy: 1.3972056437858722
Energy: 1.3354949972210637
Energy: 1.3972056437858722
Energy: 1.3354949972217038
Energy: 1.3972056437865126
Energy: 1.3354949972210637
Energy: 1.3918639307685503
Energy: 1.4028539856204787
Energy: 1.3918639307685503
Energy: 1.402853985619838
Energy: 1.391863930769191
Energy: 1.402853985621119
Energy: 1.3918639307685503
Energy: 1.6513378770937621
Energy: 1.5493509372992813
Energy: 1.6513378770937621
Energy: 1.5493509372992813
Energy: 1.6513378770944023
Energy: 1.5493509372999217
Energy: 1.6513378770944023
Energy: 1.6468925993590393
Energy: 1.5978954511304964
Energy: 1.6468925993590393
Energy: 1.5978954511304964
Energy: 1.646892599358399
Energy: 1.5978954511292154
Energy: 1.646892599358399
Energy: 1.3325337783622262
Energy: 1.4979139378414195
Energy: 1.3325337783622262
Energy: 1.4979139378414195
Energy: 1.3325337783622262
Energy: 1.4979139378420598
Energy: 1.3325337783622262
Energy: 1.3567588004577782
Energy: 1.5433243854712684
Energy: 1.356758800459059
Energy: 1.5433243854719088
Energy: 1.3567588004577782
Energy: 1.5433243854719088
Energy: 1.3567588004577782
Energy: 1.5974828491444706
Energy: 1.593186433903999
Energy: 1.5974828491438302
Energy: 1.5931864339046393
Energy: 1.597482849145111
Energy: 1.593186433903999
Energy: 1.597482849145111
Energy: 1.5544604644550593
Energy: 1.5537351165656814
Energy: 1.5544604644550593
Energy: 1.553735116565041
Energy: 1.5544604644556996
Energy: 1.553735116565041
Energy: 1.5544604644550593
Energy: 1.3561706395652675
Energy: 1.4014940871776767
Energy: 1.356170639564627
Energy: 1.4014940871770363
Energy: 1.3561706395652675
Energy: 1.4014940871776767
Energy: 1.3561706395659079
Energy: 1.5260158082692061
Energy: 1.4447312314006135
Energy: 1.5260158082685658
Energy: 1.4447312314006135
Energy: 1.5260158082692061
Energy: 1.444731231399973
Energy: 1.5260158082692061
Energy: 1.477862124031918
Energy: 1.5259298660573493
Energy: 1.4778621240325585
Energy: 1.5259298660579896
Energy: 1.4778621240331988
Energy: 1.5259298660573493
Energy: 1.4778621240325585
Energy: 1.4440894744038286
Energy: 1.3843676460552214
Energy: 1.4440894744038286
Energy: 1.3843676460545808
Energy: 1.4440894744025476
Energy: 1.3843676460545808
Energy: 1.444089474403188
Energy: 1.3751540955763348
Energy: 1.4379384641088722
Energy: 1.3751540955763348
Energy: 1.4379384641088722
Energy: 1.3751540955763348
Energy: 1.4379384641095125
Energy: 1.3751540955763348
Energy: 1.4850077321350406
Energy: 1.5769948756579686
Energy: 1.4850077321350406
Energy: 1.576994875658609
Energy: 1.5983491085480825
Energy: 1.5769948756579686
Energy: 1.5578813838529664
Energy: 1.5353571051437687
Energy: 1.5073240874714422
Energy: 1.535357105144409
Energy: 1.5073240874720828
Energy: 1.535357105144409
Energy: 1.5073240874714422
Energy: 1.535357105144409
Energy: 1.3224957021410666
Energy: 1.3675227762101025
Energy: 1.3224957021410666
Energy: 1.3675227762094622
Energy: 1.3224957021410666
Energy: 1.3675227762101025
Energy: 1.3224957021410666
Energy: 1.3732635974421714
Energy: 1.4413744343277435
Energy: 1.3732635974415313
Energy: 1.4413744343283839
Energy: 1.3732635974415313
Energy: 1.4413744343277435
Energy: 1.3732635974421714
Energy: 1.7258421706800573
Energy: 1.6511619754566105
Energy: 1.7258421706800573
Energy: 1.6511619754559699
Energy: 1.7258421706806975
Energy: 1.6511619754566105
Energy: 1.7258421706806975
Energy: 1.5790625838275396
Energy: 1.570411955576342
Energy: 1.5790625838281802
Energy: 1.570411955577623
Energy: 1.5790625838281802
Energy: 1.5704119555769827
Energy: 1.5790625838288206
Energy: 1.3581123435434237
Energy: 1.487198876810197
Energy: 1.358112343544064
Energy: 1.487198876810197
Energy: 1.358112343544064
Energy: 1.487198876810197
Energy: 1.3581123435434237
Energy: 1.5419650503557405
Energy: 1.559417693796157
Energy: 1.5419650503569926
Energy: 1.5594176937955166
Energy: 1.541965050357633
Energy: 1.559417693796157
Energy: 1.5419650503569926
Energy: 1.5325693568366836
Energy: 1.572728603727529
Energy: 1.5325693568366836
Energy: 1.572728603727529
Energy: 1.5325693568360432
Energy: 1.57272860372881
Energy: 1.5325693568360432
Energy: 1.5009310710335855
Energy: 1.4031451281692155
Energy: 1.5009310710329453
Energy: 1.4031451281685752
Energy: 1.5009310710342258
Energy: 1.4031451281685752
Energy: 1.5009310710342258
Energy: 1.3315992754589947
Energy: 1.3637790565747658
Energy: 1.331599275459635
Energy: 1.3637790565747658
Energy: 1.3315992754589947
Energy: 1.3637790565747658
Energy: 1.331599275459635
Energy: 1.5660359981713692
Energy: 1.4844017972714778
Energy: 1.5660359981707286
Energy: 1.4844017972714778
Energy: 1.5660359981707286
Energy: 1.4844017972708374
Energy: 1.5660359981707286
Energy: 1.4862067831405585
Energy: 1.5509360048623064
Energy: 1.6322436494363597
Energy: 1.5509360048623064
Energy: 1.5763115345618568
Energy: 1.5509360048623064
Energy: 1.5763115345624974
Energy: 1.3649105371256884
Energy: 1.5221037058160358
Energy: 1.364910537125048
Energy: 1.5221037058160358
Energy: 1.364910537125048
Energy: 1.5221037058160358
Energy: 1.364910537125048
Energy: 1.294914005105045
Energy: 1.413920018837139
Energy: 1.2949140051037642
Energy: 1.4139200188377794
Energy: 1.2949140051044046
Energy: 1.413920018837139
Energy: 1.2949140051037642
Energy: 1.5646587271195083
Energy: 1.5796821812660193
Energy: 1.5646587271182273
Energy: 1.5796821812660193
Energy: 1.564658727117587
Energy: 1.5796821812660193
Energy: 1.5646587271188677
Energy: 1.3515178407966084
Energy: 1.4883424532622782
Energy: 1.3515178407972488
Energy: 1.4883424532622782
Energy: 1.3515178407978894
Energy: 1.4883424532622782
Energy: 1.3515178407972488
Energy: 1.3062827232169516
Energy: 1.3938989255160603
Energy: 1.3062827232169516
Energy: 1.3938989255160603
Energy: 1.3062827232163112
Energy: 1.3938989255160603
Energy: 1.3062827232156708

minimum gb energy = 1.2949140051037642 eV
minimum distance =  2.2522574356552 Angstroms
sigma value = 39


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

Energy: 1.4328094868191723
Energy: 1.4115906440575405
Energy: 1.4328094868184165
Energy: 1.4115906440567847
Energy: 1.4328094868191723
Energy: 1.4115906440575405
Energy: 1.4328094868199281
Energy: 1.4805664814318034
Energy: 1.3110251220608264
Energy: 1.4805664814310475
Energy: 1.3110251220615825
Energy: 1.4805664814302917
Energy: 1.3110251220615825
Energy: 1.4805664814310475
Energy: 1.5668861387599908
Energy: 1.3471092074156907
Energy: 1.5668861387599908
Energy: 1.3471092074156907
Energy: 1.566886138759235
Energy: 1.3471092074164124
Energy: 1.566886138759235
Energy: 1.5709854811864798
Energy: 1.3108513794198982
Energy: 1.5709854811872357
Energy: 1.3108513794198982
Energy: 1.5709854811872357
Energy: 1.3108513794198982
Energy: 1.5709854811864798
Energy: 1.4212954273966552
Energy: 1.2516488833573116
Energy: 1.4212954273974108
Energy: 1.2516488833565558
Energy: 1.4212954273966552
Energy: 1.2516488833573116
Energy: 1.4212954273958993
Energy: 1.4019376901688785
Energy: 1.3174566309249738
Energy: 1.4019376901673668
Energy: 1.3174566309257296
Energy: 1.4019376901673668
Energy: 1.3174566309264852
Energy: 1.4019376901673668
Energy: 1.5866106410240064
Energy: 1.297299006077357
Energy: 1.5866106410232508
Energy: 1.297299006077357
Energy: 1.5866106410240064
Energy: 1.2972990060781129
Energy: 1.5821989686210083
Energy: 1.4995849313200742
Energy: 1.324350178868053
Energy: 1.4995849313215859
Energy: 1.3243501788688088
Energy: 1.4995849313215859
Energy: 1.3243501788695649
Energy: 1.4995849313230978
Energy: 1.6509984286409802
Energy: 1.2760449836407182
Energy: 1.650998428641736
Energy: 1.2760449836407182
Energy: 1.650998428641736
Energy: 1.2760449836407182
Energy: 1.650998428642492
Energy: 1.3590266909610598
Energy: 1.4201970333305287
Energy: 1.3590266909610598
Energy: 1.4201970333305287
Energy: 1.3590266909610598
Energy: 1.4201970333305287
Energy: 1.3590266909625717
Energy: 1.5016451278713727
Energy: 1.3791695032964129
Energy: 1.5490429449878613
Energy: 1.379169503297169
Energy: 1.3967251988856169
Energy: 1.379169503297169
Energy: 1.3967251988863727
Energy: 1.4368332673345854
Energy: 1.335740160547396
Energy: 1.4368332673353414
Energy: 1.3357401605466401
Energy: 1.4368332673353414
Energy: 1.335740160547396
Energy: 1.4368332673353414
Energy: 1.7178726682346093
Energy: 1.4065151423026527
Energy: 1.7178726682346093
Energy: 1.4065151423034086
Energy: 1.7178726682338534
Energy: 1.4065151423034086
Energy: 1.7178726682346093
Energy: 1.39467073727702
Energy: 1.2562730770799675
Energy: 1.3946707372762641
Energy: 1.2562730770792114
Energy: 1.39467073727702
Energy: 1.2562730770784558
Energy: 1.3946707372762641
Energy: 1.3744423694446342
Energy: 1.408517599669385
Energy: 1.3744423694438785
Energy: 1.408517599670141
Energy: 1.3615244875872956
Energy: 1.408517599669385
Energy: 1.315403412638058
Energy: 1.3750706678346583
Energy: 1.2836066276981077
Energy: 1.37507066783617
Energy: 1.2836066276973521
Energy: 1.3750706678346583
Energy: 1.2836066276973521
Energy: 1.3750706678354143
Energy: 1.6704266423078058
Energy: 1.3260581843841626
Energy: 1.67042664230705
Energy: 1.3260581843849186
Energy: 1.67042664230705
Energy: 1.3260581843856742
Energy: 1.6704266423078058
Energy: 1.4623079694572523
Energy: 1.328134758506613
Energy: 1.4623079694557406
Energy: 1.328134758506613
Energy: 1.4623079694564962
Energy: 1.3281347585073688
Energy: 1.4623079694564962
Energy: 1.5843448661854007
Energy: 1.4424896627245192
Energy: 1.5843448661846447
Energy: 1.4424896627245192
Energy: 1.5843448661854007
Energy: 1.4424896627252748
Energy: 1.5843448661854007
Energy: 1.4231845589915373
Energy: 1.4755710026910998
Energy: 1.4231845589915373
Energy: 1.4755710026910998
Energy: 1.4231845589915373
Energy: 1.475571002689588
Energy: 1.4231845589915373
Energy: 1.5891186692587635
Energy: 1.2854846105558253
Energy: 1.5891186692595194
Energy: 1.2854846105558253
Energy: 1.5891186692602752
Energy: 1.2854846105565811
Energy: 1.5891186692595194
Energy: 1.566116158312418
Energy: 1.348080089438315
Energy: 1.566116158312418
Energy: 1.348080089438315
Energy: 1.566116158312418
Energy: 1.3480800894390708
Energy: 1.566116158312418
Energy: 1.6126237935137864
Energy: 1.2836654167307158
Energy: 1.612623793514542
Energy: 1.2836654167307158
Energy: 1.6126237935137864
Energy: 1.2836654167307158
Energy: 1.6126237935137864
Energy: 1.3854226405273455
Energy: 1.3043947613806315
Energy: 1.3854226405273455
Energy: 1.3043947613806315
Energy: 1.3854226405273455
Energy: 1.3043947613806315
Energy: 1.3854226405288572
Energy: 1.389746157520124
Energy: 1.2424897274326743
Energy: 1.3897461575193684
Energy: 1.2424897274319187
Energy: 1.3897461575208798
Energy: 1.2424897274319187
Energy: 1.389746157520124
Energy: 1.4676569875350436
Energy: 1.3053700321120971
Energy: 1.4676569875350436
Energy: 1.3053700321120971
Energy: 1.4676569875357994
Energy: 1.3053700321128527
Energy: 1.4676569875357994
Energy: 1.5062139400177539
Energy: 1.3276129018926215
Energy: 1.5062139400177539
Energy: 1.327612901893377
Energy: 1.5062139400185095
Energy: 1.3276129018919
Energy: 1.5062139400185095
Energy: 1.425623109664806
Energy: 1.3517783469261684
Energy: 1.4256231096663174
Energy: 1.3517783469254125
Energy: 1.4256231096663174
Energy: 1.3517783469261684
Energy: 1.4256231096655618
Energy: 1.3503237911075057
Energy: 1.4115906440560289
Energy: 1.3503237911082615
Energy: 1.4115906440560289
Energy: 1.3503237911067496
Energy: 1.4115906440567847
Energy: 1.350323791105994
Energy: 1.3964940201600402
Energy: 1.3345348524202936
Energy: 1.3964940201607958
Energy: 1.3345348524202936
Energy: 1.3964940201600402
Energy: 1.3345348524202936
Energy: 1.3964940201600402

minimum gb energy = 1.2424897274319187 eV
minimum distance =  2.26404668453601 Angstroms
sigma value = 21


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

Energy: 1.2809352391223547
Energy: 1.6715152845715482
Energy: 1.2809352391223547
Energy: 1.6715152845715482
Energy: 1.2809352391223547
Energy: 1.6715152845715482
Energy: 1.2809352391223547
Energy: 1.3061184107191361
Energy: 1.269696487184366
Energy: 1.3061184107191361
Energy: 1.2696964871852832
Energy: 1.3061184107191361
Energy: 1.2696964871852832
Energy: 1.3061184107191361
Energy: 1.4711869257974783
Energy: 1.6281231982424613
Energy: 1.4711869257983958
Energy: 1.6281231982433788
Energy: 1.4711869257974783
Energy: 1.6281231982433788
Energy: 1.4711869257974783
Energy: 1.3578669628906128
Energy: 1.2979409364693264
Energy: 1.3578669628906128
Energy: 1.2979409364693264
Energy: 1.3578669628906128
Energy: 1.2979409364693264
Energy: 1.357866962889695
Energy: 1.1601613975634377
Energy: 1.2920984005063094
Energy: 1.1601613975634377
Energy: 1.292098400507227
Energy: 1.1601613975634377
Energy: 1.2920984005063094
Energy: 1.1601613975634377
Energy: 1.1921407093672578
Energy: 1.3097868633044487
Energy: 1.1921407093672578
Energy: 1.3097868633044487
Energy: 1.1921407093672578
Energy: 1.3097868633044487
Energy: 1.1921407093672578
Energy: 1.1155260103733546
Energy: 1.5743690841293687
Energy: 1.115526010372437
Energy: 1.5743690841293687
Energy: 1.1155260103733546
Energy: 1.5743690841293687
Energy: 1.1155260103733546
Energy: 1.3261729577690693
Energy: 1.2626138619861496
Energy: 1.3261729577681516
Energy: 1.2626138619861496
Energy: 1.3261729577699868
Energy: 1.2626138619861496
Energy: 1.3261729577681516
Energy: 1.3006976297091615
Energy: 1.2142873215136816
Energy: 1.3006976297091615
Energy: 1.2142873215136816
Energy: 1.3006976297091615
Energy: 1.214287321514599
Energy: 1.3006976297091615
Energy: 1.186944462349089
Energy: 1.5790760890532005
Energy: 1.1869444623481713
Energy: 1.5790760890541182
Energy: 1.186944462349089
Energy: 1.5790760890532005
Energy: 1.186944462349089
Energy: 1.1492953268981194
Energy: 1.3591145574761183
Energy: 1.149295326897202
Energy: 1.3591145574752006
Energy: 1.1492953268981194
Energy: 1.3591145574752006
Energy: 1.149295326897202
Energy: 1.2407596818751412
Energy: 1.3255727047830517
Energy: 1.2407596818751412
Energy: 1.3255727047821342
Energy: 1.2407596818751412
Energy: 1.3255727047830517
Energy: 1.2407596818751412
Energy: 1.2701070435358717
Energy: 1.2084308959801002
Energy: 1.2701070435358717
Energy: 1.2084308959801002
Energy: 1.270107043534954
Energy: 1.2084308959801002
Energy: 1.2701070435358717
Energy: 1.4159021986447666
Energy: 1.6344379594073102
Energy: 1.4159021986447666
Energy: 1.634437959408228
Energy: 1.415902198645684
Energy: 1.6344379594073102
Energy: 1.4159021986447666
Energy: 1.2706517006086886
Energy: 1.308011012709653
Energy: 1.2706517006086886
Energy: 1.308011012709653
Energy: 1.2706517006077709
Energy: 1.308011012709653
Energy: 1.2706517006086886
Energy: 1.3289603405373598
Energy: 1.5899780797972298
Energy: 1.3289603405373598
Energy: 1.5899780797972298
Energy: 1.3289603405373598
Energy: 1.5899780797981473
Energy: 1.3289603405373598
Energy: 1.3688408161415677
Energy: 1.2297813962586663
Energy: 1.3688408161415677
Energy: 1.229781396259584
Energy: 1.3688408161415677
Energy: 1.229781396259584
Energy: 1.3688408161424852
Energy: 1.3565217273083123
Energy: 1.6344463854427191
Energy: 1.3565217273083123
Energy: 1.6344463854427191
Energy: 1.3565217273073948
Energy: 1.6344463854427191
Energy: 1.3565217273073948
Energy: 1.3306930126346914
Energy: 1.2853259108024566
Energy: 1.3306930126346914
Energy: 1.285325910801539
Energy: 1.3306930126346914
Energy: 1.2853259108024566
Energy: 1.3306930126346914
Energy: 1.2232009200333671
Energy: 1.296561568522627
Energy: 1.2232009200324494
Energy: 1.296561568522627
Energy: 1.2232009200333671
Energy: 1.296561568522627
Energy: 1.2232009200324494
Energy: 1.2641107423152373
Energy: 1.3211601283771461
Energy: 1.2641107423152373
Energy: 1.3211601283771461
Energy: 1.2641107423152373
Energy: 1.3211601283771461
Energy: 1.2641107423152373
Energy: 1.116693962369086
Energy: 1.6207014634281136
Energy: 1.116693962369086
Energy: 1.6207014634281136
Energy: 1.1166939623700034
Energy: 1.6207014634281136
Energy: 1.116693962369086
Energy: 1.21210486716582
Energy: 1.2575695653941024
Energy: 1.21210486716582
Energy: 1.2575695653941024
Energy: 1.21210486716582
Energy: 1.2575695653941024
Energy: 1.2121048671667378
Energy: 1.3048303916578543
Energy: 1.2961642696221896
Energy: 1.3048303916578543
Energy: 1.2961642696221896
Energy: 1.3048303916578543
Energy: 1.2961642696221896
Energy: 1.304830391658772
Energy: 1.2409982721492074
Energy: 1.2931024827218567
Energy: 1.2409982721492074
Energy: 1.2931024827218567
Energy: 1.2409982721492074
Energy: 1.2931024827218567
Energy: 1.2409982721492074

minimum gb energy = 1.115526010372437 eV
minimum distance =  2.30591804544126 Angstroms
sigma value = 113


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

Energy: 1.1117512453188916
Energy: 1.4916005895660955
Energy: 1.111751245315307
Energy: 1.4916005895671198
Energy: 1.1117512453183793
Energy: 1.4916005895650715
Energy: 1.1117512453199154
Energy: 1.1553244699147058
Energy: 1.207671755343744
Energy: 1.1553244699193146
Energy: 1.2076717553427194
Energy: 1.155324469915218
Energy: 1.207671755343744
Energy: 1.1553244699147058
Energy: 1.278209156460217
Energy: 1.1659752193276762
Energy: 1.2782091564591926
Energy: 1.1659752193287003
Energy: 1.278209156460729
Energy: 1.165975219326652
Energy: 1.278209156460217
Energy: 1.1529979292836694
Energy: 1.168296213960579
Energy: 1.1529979292831574
Energy: 1.1682962139595547
Energy: 1.1529979292846935
Energy: 1.168296213961603
Energy: 1.1529979292852057
Energy: 1.1001881394106894
Energy: 1.3548218387319424
Energy: 1.1001881394158104
Energy: 1.354821838730918
Energy: 1.1001881394158104
Energy: 1.3548218387304063
Energy: 1.100188139418883
Energy: 1.148665991152383
Energy: 1.2940585768836954
Energy: 1.148665991151871
Energy: 1.2940585768836954
Energy: 1.1486659911528954
Energy: 1.294058576881135
Energy: 1.1486659911528954
Energy: 1.152849320263252
Energy: 1.100412807675189
Energy: 1.152849320264788
Energy: 1.1004128076470243
Energy: 1.152849320264788
Energy: 1.1004128075856205
Energy: 1.1528493202653
Energy: 1.1415001287000062
Energy: 1.1549739499286311
Energy: 1.1415001286989819
Energy: 1.1549739499260707
Energy: 1.1415001286974922
Energy: 1.154973949927607
Energy: 1.141500128697958
Energy: 1.098964035677699
Energy: 1.2594834902821945
Energy: 1.0989640356797477
Energy: 1.2594834902806584
Energy: 1.098964035675651
Energy: 1.2594834902811702
Energy: 1.098964035676163
Energy: 1.1097249066870412
Energy: 1.1682788007974303
Energy: 1.1097249066880652
Energy: 1.1682788007969183
Energy: 1.1097249066875532
Energy: 1.1682788007984546
Energy: 1.1097249066880652
Energy: 1.1128558365000079
Energy: 1.1360381012587688
Energy: 1.1128558365025683
Energy: 1.136038101260305
Energy: 1.1128558365030803
Energy: 1.1360381012577447
Energy: 1.1128558365020562
Energy: 1.0623804821870335
Energy: 1.118241092912922
Energy: 1.0623804821854972
Energy: 1.118241092913434
Energy: 1.0623804821854972
Energy: 1.118241092912922
Energy: 1.0623804821865213
Energy: 1.0494174855774718
Energy: 1.272111004222379
Energy: 1.0494174855743992
Energy: 1.2721110042213548
Energy: 1.0494174855774718
Energy: 1.2721110042213548
Energy: 1.0494174855764475
Energy: 1.2198708160488836
Energy: 1.0918552199889298
Energy: 1.2198708160483716
Energy: 1.0918552199873937
Energy: 1.2198708160483716
Energy: 1.0918552199889298
Energy: 1.2198708160478597
Energy: 1.1746173244009799
Energy: 1.1064428349144173
Energy: 1.17461732440354
Energy: 1.1064428349169775
Energy: 1.174617324402516
Energy: 1.1064428349149293
Energy: 1.174617324402516
Energy: 1.0351166862634666
Energy: 1.3002969497272987
Energy: 1.0351166862629546
Energy: 1.300296949728323
Energy: 1.0351166862634666
Energy: 1.300296949728323
Energy: 1.0351166862629546
Energy: 1.0056779549910833
Energy: 1.1738826348285973
Energy: 1.0056779549915955
Energy: 1.1738826348296214
Energy: 1.0056779549910833
Energy: 1.1738826348306457
Energy: 1.0056779549910833
Energy: 1.0916660577410084
Energy: 1.1419137073504095
Energy: 1.0916660577389599
Energy: 1.1419137073498975
Energy: 1.0916660577399842
Energy: 1.1419137073509216
Energy: 1.0916660577399842
Energy: 1.1359029921887633
Energy: 1.0486478586145938
Energy: 1.1359029921877393
Energy: 1.0486478586140815
Energy: 1.1359029921877393
Energy: 1.0486478586145938
Energy: 1.1359029921872272
Energy: 1.1138882627979219
Energy: 1.2397329334314555
Energy: 1.113888262798434
Energy: 1.2397329334299192
Energy: 1.1138882627989461
Energy: 1.2397329334319673
Energy: 1.113888262798434
Energy: 1.1786604790418844
Energy: 1.093175719367234
Energy: 1.1786604790408601
Energy: 1.093175719366722
Energy: 1.1786604790428619
Energy: 1.093175719367746
Energy: 1.1786604790423498
Energy: 1.1219422862080355
Energy: 1.1454753284526205
Energy: 1.1219422862095718
Energy: 1.1454753284490358
Energy: 1.1219422862070116
Energy: 1.145475328450572
Energy: 1.121942286210596
Energy: 1.0709903117430501
Energy: 1.1197973705890294
Energy: 1.0709903117415138
Energy: 1.119797370586469
Energy: 1.070990311742538
Energy: 1.1197973705885174
Energy: 1.0709903117415138
Energy: 1.0366119136610596
Energy: 1.2925337156393795
Energy: 1.0366119136620837
Energy: 1.2925337156398915
Energy: 1.0366119136600354
Energy: 1.2925337156393795
Energy: 1.0366119136625958
Energy: 1.1764730076665113
Energy: 1.1813395413755987
Energy: 1.1764730076649752
Energy: 1.1813395413755987
Energy: 1.1764730076665113
Energy: 1.1813395413740624
Energy: 1.1764730076649752
Energy: 1.248650156421439
Energy: 1.0978843755366614
Energy: 1.2486501564178545
Energy: 1.097884375535125
Energy: 1.2486501564193906
Energy: 1.0978843755366614
Energy: 1.2486501564178545
Energy: 1.2073773526756502
Energy: 1.215074403036891
Energy: 1.2073773526771863
Energy: 1.215074403037403
Energy: 1.2073773526761622
Energy: 1.215074403037403
Energy: 1.2073773526782108
Energy: 1.083981719515721
Energy: 1.4373569997231397
Energy: 1.0839817195152088
Energy: 1.4373569997251878
Energy: 1.0839817195146968
Energy: 1.4373569997251878
Energy: 1.0839817195131607
Energy: 1.193336251916386
Energy: 1.1854832585986992
Energy: 1.193336251916386
Energy: 1.1854832585956268
Energy: 1.1933362519189463
Energy: 1.1854832585971629
Energy: 1.193336251921507
Energy: 1.278259297709054
Energy: 1.1514695872179317
Energy: 1.2782592977085423
Energy: 1.1514695872174194
Energy: 1.278259297707518
Energy: 1.1514695872169074
Energy: 1.27825929770803
Energy: 1.220366151166865
Energy: 1.273123382649589
Energy: 1.220366151166353
Energy: 1.2731233826490769
Energy: 1.220366151165841
Energy: 1.2731233826475403
Energy: 1.2203661511673773
Energy: 1.0862450187772352
Energy: 1.3520489936063504
Energy: 1.086245018777747
Energy: 1.3520489936094229
Energy: 1.086245018775699
Energy: 1.3520489936083988
Energy: 1.0862450187782593
Energy: 1.1869734161944494
Energy: 1.1841230953295392
Energy: 1.1869734161924013
Energy: 1.1841230953264665
Energy: 1.1869734161918892
Energy: 1.1841230953249304
Energy: 1.1869734161934253
Energy: 1.1522945649604006
Energy: 1.1730487602049742
Energy: 1.1522945649598886
Energy: 1.1730487602054862
Energy: 1.1522945649583523
Energy: 1.1730487602054862
Energy: 1.1522945649609126
Energy: 1.1396128951453408
Energy: 1.328866362880286
Energy: 1.1396128951453408
Energy: 1.3288663628797739
Energy: 1.1396128951438047
Energy: 1.328866362880286
Energy: 1.1396128951438047
Energy: 1.132950735374001
Energy: 1.2571333787090726
Energy: 1.132950735374001
Energy: 1.2571333787095846
Energy: 1.1329507353755373
Energy: 1.2571333787090726
Energy: 1.1329507353755373
Energy: 1.242002416618836
Energy: 1.1498662253928822
Energy: 1.242002416618836
Energy: 1.1498662253933942
Energy: 1.2420024166178116
Energy: 1.1498662253933942
Energy: 1.2420024166198602
Energy: 1.1185421436509693
Energy: 1.110086424059738
Energy: 1.1185421436525056
Energy: 1.110086424059226
Energy: 1.1185421436514815
Energy: 1.1100864240561534
Energy: 1.1185421436509693
Energy: 1.0582088524841713
Energy: 1.1324470914307627
Energy: 1.0582088524851956
Energy: 1.1324470914292266
Energy: 1.0582088524862199
Energy: 1.1324470914307627
Energy: 1.0582088524841713
Energy: 1.0501491602155644
Energy: 1.3417168594809197
Energy: 1.0501491602155644
Energy: 1.3417168594804076
Energy: 1.0501491602150523
Energy: 1.3417168594809197
Energy: 1.0501491602150523
Energy: 1.1037824446474362
Energy: 1.0845390264772712
Energy: 1.1037824446458997
Energy: 1.084539026475735
Energy: 1.1037824446474362
Energy: 1.0845390264767594
Energy: 1.1037824446448756
Energy: 1.2185767601327158
Energy: 1.0648517061819418
Energy: 1.2185767601327158
Energy: 1.0648517061829659
Energy: 1.2185767601332278
Energy: 1.0648517061850142
Energy: 1.2185767601327158
Energy: 1.0409533239505446
Energy: 1.2681451913961812
Energy: 1.0409533239500328
Energy: 1.268145191395669
Energy: 1.0409533239500328
Energy: 1.2681451913941326
Energy: 1.0409533239500328
Energy: 1.0056381800092145
Energy: 1.1132025443546303
Energy: 1.005638180012287
Energy: 1.1132025443551425
Energy: 1.0056381800087024
Energy: 1.113202544354118
Energy: 1.005638180011263
Energy: 1.080009638117746
Energy: 1.1240310778445515
Energy: 1.080009638117746
Energy: 1.1240310778430151
Energy: 1.0800096381182582
Energy: 1.1240310778445515
Energy: 1.0800096381187703

minimum gb energy = 1.0056381800087024 eV
minimum distance =  2.27862370465177 Angstroms
sigma value = 365


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

Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944677226
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.335444946483593
Energy: 1.3194465398903246
Energy: 2.418105524846482
Energy: 1.319446539891479
Energy: 2.1663415489351716
Energy: 1.3194465398903246
Energy: 2.1663855524178652
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.968058399084951
Energy: 1.3194465398903246
Energy: 2.968058294597483
Energy: 1.3194465398903246
Energy: 2.6937481651353714
Energy: 1.3194465398903246
Energy: 2.1664433682620006
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944677226
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944677226
Energy: 2.3354449519053024
Energy: 1.3194465398903246
Energy: 2.418105524840736
Energy: 1.3194465398903246
Energy: 2.16644319695175
Energy: 1.3194465398903246
Energy: 2.418105524840736
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944654135
Energy: 2.166442945322121
Energy: 1.3194465398903246
Energy: 2.1663941571889924
Energy: 1.3194465398903246
Energy: 2.3354449464893663
Energy: 1.3194465398903246
Energy: 2.335444946706319
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.3354449466347624
Energy: 1.3194465398903246
Energy: 2.3354449472475713
Energy: 1.3194465398903246
Energy: 2.4181055248626464
Energy: 1.3194465398903246
Energy: 2.4181055248603376
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.166410309320357
Energy: 1.3194465398903246
Energy: 2.4181055248545644
Energy: 1.3194465398903246
Energy: 2.1664421272917918
Energy: 1.3194465398903246
Energy: 2.693748165123826
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944677226
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.166401664039866
Energy: 1.319446539891479
Energy: 2.1664429383401296
Energy: 1.3194465398903246
Energy: 2.418105524873037
Energy: 1.3194465398903246
Energy: 2.33544494733642
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.1664330508476213
Energy: 1.3194465398903246
Energy: 2.1664419658682483
Energy: 1.3194465398903246
Energy: 2.1664292914459726
Energy: 1.3194465398903246
Energy: 2.693748165136526
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944677226
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944677226
Energy: 2.1664281346196486
Energy: 1.3194465398903246
Energy: 2.418105524832654
Energy: 1.3194465398903246
Energy: 2.1664092821420393
Energy: 1.3194465398903246
Energy: 2.3354449482481288
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.3517431944654135
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 0.40733828226071206
Energy: 0.35174319446656804
Energy: 2.1664323883032486
Energy: 1.3194465398903246
Energy: 2.166432683754385
Energy: 1.3194465398903246
Energy: 2.1663999477763607
Energy: 1.3194465398903246
Energy: 2.16642688113031

minimum gb energy = 0.3517431944654135 eV
minimum distance =  2.30704297838054 Angstroms
sigma value = 23