Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
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=3.302443556487561
cohesive_energy=7.470587473106058
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: 0.0211866288574555
Energy: 0.23048803699109457
Energy: 0.02118662885714868
Energy: 0.23048803699109457
Energy: 0.0211866288574555
Energy: 0.23048803699140138
Energy: 0.02118662885714868
Energy: 0.02204278428403977
Energy: 0.7872192629529755
Energy: 0.02204278428403977
Energy: 0.7872192629532482
Energy: 0.02204278428373295
Energy: 0.7872192629532482
Energy: 0.02204278428403977
Energy: 0.6558484878446023
Energy: 0.7267031854310855
Energy: 0.6558484878446023
Energy: 0.726703185431665
Energy: 0.6558484878446023
Energy: 0.7267031854310855
Energy: 0.6558484878446023
Energy: 0.02204278428346022
Energy: 0.7872192629535549
Energy: 0.02204278428373295
Energy: 0.7872192629535549
Energy: 0.02204278428373295
Energy: 0.7872192629535549
Energy: 0.02204278428346022
Energy: 0.0211866288574555
Energy: 0.23048803699109457
Energy: 0.02118662885714868
Energy: 0.23048803699109457
Energy: 0.0211866288574555
Energy: 0.23048803699109457
Energy: 0.02118662885714868
Energy: 0.02204278428373295
Energy: 0.7872192629535549
Energy: 0.022042784283153396
Energy: 0.7872192629532482
Energy: 0.02204278428373295
Energy: 0.7872192629538619
Energy: 0.02204278428373295

minimum gb energy = 0.02118662885714868 eV
minimum distance =  2.85550732627403 Angstroms
sigma value = 5


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

Energy: 1.7497542814691498
Energy: 1.7153507032079318
Energy: 1.7497542814654845
Energy: 1.7153507032079318
Energy: 1.7497542814654845
Energy: 1.7153507032079318
Energy: 1.7497542814654845
Energy: 1.6740511252905503
Energy: 1.621641332479977
Energy: 1.6740511252905503
Energy: 1.6216413324873074
Energy: 1.6740511252905503
Energy: 1.6216413324617178
Energy: 1.6740511252905503
Energy: 1.5372563382277715
Energy: 1.5863918508525856
Energy: 1.5372563382277715
Energy: 1.5863918508525856
Energy: 1.5372563382277715
Energy: 1.5863918508525856
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Energy: 1.53809229938045
Energy: 1.637043095856779
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Energy: 1.637043095856779
Energy: 1.53809229938045
Energy: 1.637043095856779
Energy: 1.538092299376785
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Energy: 1.6427834089272262
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Energy: 1.6427834089272262
Energy: 1.541699400936339
Energy: 1.6427834089272262
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Energy: 1.6828800204925194
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Energy: 1.6828800204925194
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Energy: 1.6690855075118451
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Energy: 1.6588404543795174
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Energy: 1.5352915200484663
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Energy: 1.535291520044801
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Energy: 1.5352915200484663
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Energy: 1.6578699990756516
Energy: 1.6077997993445865
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Energy: 1.6077997993445865
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Energy: 1.6077997993445865
Energy: 1.6578699990756516
Energy: 1.5644622822386376
Energy: 1.6135303223548134
Energy: 1.5644622822423027
Energy: 1.6135303223584787
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Energy: 1.6135303223548134
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Energy: 1.6613651957073736
Energy: 1.5964948450320746
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Energy: 1.6613651957037086
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Energy: 1.5164815649889072
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Energy: 1.5164815649925723
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Energy: 1.6661836220261417
Energy: 1.6873499319664313
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Energy: 1.6873499319700966
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Energy: 1.6510506395518156
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Energy: 1.6510506401049851
Energy: 1.7040929453023592
Energy: 1.6510506441861494
Energy: 1.7040929452950289
Energy: 1.6510506398192377
Energy: 1.5344257007019302
Energy: 1.6360988005048107
Energy: 1.5344257007019302
Energy: 1.6360988005011456
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Energy: 1.6360988005048107
Energy: 1.5344257006982653
Energy: 1.6873797797117132
Energy: 1.6142866500580657
Energy: 1.6873797794992684
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Energy: 1.687379779334404
Energy: 1.614286650061731
Energy: 1.687379779316078
Energy: 1.5204303403758606
Energy: 1.5828392189578844
Energy: 1.5204303403721955
Energy: 1.5828392189542193
Energy: 1.5204303403721955
Energy: 1.5828392189578844
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Energy: 1.5987139744971572
Energy: 1.7017785213781838
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Energy: 1.7017785213818488
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Energy: 1.6474333953160416
Energy: 1.6858076849340908
Energy: 1.6474333952537343
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Energy: 1.6858077237197144
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Energy: 1.5775539914756742
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Energy: 1.524830754720951
Energy: 1.5669472723630873
Energy: 1.524830754717286
Energy: 1.5669472723630873
Energy: 1.524830754720951
Energy: 1.532553035219065
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Energy: 1.532553035219065
Energy: 1.5911046992475597
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Energy: 1.5330453436076403
Energy: 1.6430044713714969
Energy: 1.5330453436076403
Energy: 1.6430044713678318
Energy: 1.5330453436076403
Energy: 1.6430044713714969
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Energy: 1.6629266296722773
Energy: 1.690093321588371
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Energy: 1.6900933215920362
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Energy: 1.6634195962636662
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Energy: 1.6634195962636662
Energy: 1.6010555731820466
Energy: 1.6832931269032463
Energy: 1.6010555731783815
Energy: 1.6832931269069114
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Energy: 1.5936011038577909
Energy: 1.6470430830927851
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Energy: 1.6470430830891198
Energy: 1.5936011038577909
Energy: 1.6470430830927851
Energy: 1.5936011038577909
Energy: 1.521898320856315
Energy: 1.5420993524702895
Energy: 1.5218983208599803
Energy: 1.5420993524739546
Energy: 1.5218983208599803
Energy: 1.5420993524702895
Energy: 1.521898320856315
Energy: 1.6789956335482876
Energy: 1.6105270656943236
Energy: 1.6789956335446223
Energy: 1.6105270655587804
Energy: 1.6789956335482876
Energy: 1.6105270655770392
Energy: 1.6789956335482876
Energy: 1.6120999714048603
Energy: 1.579821326247577
Energy: 1.6120999714048603
Energy: 1.5798213262512422
Energy: 1.6120999714085256
Energy: 1.579821326247577
Energy: 1.6120999714048603
Energy: 1.5844557056600561
Energy: 1.6755727235193698
Energy: 1.5844557057699438
Energy: 1.675572723523035
Energy: 1.584455705656391
Energy: 1.6755727235193698
Energy: 1.584455705656391
Energy: 1.5690815179229054
Energy: 1.633514980992462
Energy: 1.5690815179229054
Energy: 1.6335149809887968
Energy: 1.5690815179192403
Energy: 1.633514980992462
Energy: 1.5690815179229054
Energy: 1.5344851616254587
Energy: 1.600920340916974
Energy: 1.534485161621794
Energy: 1.6009203409205726
Energy: 1.5344851616254587
Energy: 1.600920340916974
Energy: 1.5344851616254587
Energy: 1.532058798750442
Energy: 1.6002140489789718
Energy: 1.532058798750442
Energy: 1.6002140489789718
Energy: 1.532058798750442
Energy: 1.6002140489789718
Energy: 1.532058798750442
Energy: 1.5654548993319977
Energy: 1.6207658921129853
Energy: 1.5654548993319977
Energy: 1.6207658921129853
Energy: 1.5654548993319977
Energy: 1.6207658921129853
Energy: 1.5654548993319977

minimum gb energy = 1.5164815649889072 eV
minimum distance =  2.64632409018089 Angstroms
sigma value = 401


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

Energy: 1.7800935178364166
Energy: 1.7269302983832093
Energy: 1.7800935178385344
Energy: 1.7269302983840413
Energy: 1.7800935178372488
Energy: 1.7269302983844195
Energy: 1.7800935178372488
Energy: 1.5748284249529994
Energy: 1.6429378104202883
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Energy: 1.5748284249554956
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Energy: 1.6025155856913615
Energy: 1.5883888321219093
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Energy: 1.6610457211212952
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Energy: 1.590610308378292
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Energy: 1.7800935178385344
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Energy: 1.7269302983848736
Energy: 1.7800935178377022
Energy: 1.5748284249529994
Energy: 1.642937810419456
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Energy: 1.6429378104186243
Energy: 1.574828424955042
Energy: 1.6429378104174142
Energy: 1.5748284249554956
Energy: 1.588388832118581
Energy: 1.6025155856896975
Energy: 1.5883888321194128
Energy: 1.6025155856901512
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Energy: 1.6025155856926476
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Energy: 1.5473855643490744
Energy: 1.7589983785319694
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Energy: 1.7589983785348435
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Energy: 1.7589983785336334
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Energy: 1.5474203201690993
Energy: 1.7163367076205478
Energy: 1.5474203201690993
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Energy: 1.7163367076242542
Energy: 1.547420320168721
Energy: 1.6553742571933967
Energy: 1.6610457211229592
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Energy: 1.6610457211221274
Energy: 1.6553742571942285
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Energy: 1.6555604909734072
Energy: 1.6602718400877892
Energy: 1.6555604909725752
Energy: 1.6602718400873355
Energy: 1.655560490973029
Energy: 1.6602718400873355
Energy: 1.6555604909725752
Energy: 1.6510642771227713
Energy: 1.7165110429841715
Energy: 1.6510642771231494
Energy: 1.716511042986668
Energy: 1.6510642771211068
Energy: 1.7165110429853818
Energy: 1.6510642771189892
Energy: 1.651961172926932
Energy: 1.71619263771111
Energy: 1.651961172927764
Energy: 1.716192637708236
Energy: 1.6519611729261001
Energy: 1.716192637709446
Energy: 1.651961172927764
Energy: 1.575588376765094
Energy: 1.659307977673723
Energy: 1.5755883767659262
Energy: 1.659307977676219
Energy: 1.5755883767659262
Energy: 1.659307977673723
Energy: 1.575588376765094
Energy: 1.5770961131144476
Energy: 1.696593416105095
Energy: 1.5770961131144476
Energy: 1.6965934161067593
Energy: 1.5770961131144476
Energy: 1.696593416105095
Energy: 1.5770961131140695
Energy: 1.5854867951630232
Energy: 1.5906103083804097
Energy: 1.5854867951659732
Energy: 1.5906103083804097
Energy: 1.5854867951651412
Energy: 1.5906103083804097
Energy: 1.5854867951634772
Energy: 1.5907764915121019
Energy: 1.6208248293988499
Energy: 1.5907764915125555
Energy: 1.620824829397564
Energy: 1.5907764915129339
Energy: 1.6208248293988499
Energy: 1.5907764915121019
Energy: 1.7433626669205196
Energy: 1.6648377152630016
Energy: 1.7433626669230158
Energy: 1.6648377152642118
Energy: 1.7433626669226372
Energy: 1.664837715262548
Energy: 1.7433626669205196
Energy: 1.5300138788853268
Energy: 1.6432622094304001
Energy: 1.530013878887445
Energy: 1.6432622094299465
Energy: 1.5300138788849487
Energy: 1.643262209428358
Energy: 1.530013878887445

minimum gb energy = 1.5300138788841167 eV
minimum distance =  2.6655626535711 Angstroms
sigma value = 311


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

Energy: 1.6324517614583998
Energy: 1.6742014498410396
Energy: 1.6324517614579195
Energy: 1.6742014498410396
Energy: 1.6324517614583998
Energy: 1.6742014498415199
Energy: 1.6324517614579195
Energy: 1.644810493033506
Energy: 1.589686103055479
Energy: 1.6448104930325451
Energy: 1.5896861030569198
Energy: 1.644810493033506
Energy: 1.589686103053077
Energy: 1.6448104930330256
Energy: 1.6203152073382823
Energy: 1.6540394410200092
Energy: 1.620315207336841
Energy: 1.6540394410200092
Energy: 1.6203152073378018
Energy: 1.654039441019529
Energy: 1.6203152073378018
Energy: 1.746202433974967
Energy: 1.6600412275270446
Energy: 1.7462024339754476
Energy: 1.6600412275284857
Energy: 1.7462024339764086
Energy: 1.6600412275270446
Energy: 1.7462024339754476
Energy: 1.7850103366679269
Energy: 1.6931732539970785
Energy: 1.7850103366674466
Energy: 1.6931732539970785
Energy: 1.7850103366688876
Energy: 1.6931732539970785
Energy: 1.7850103366674466
Energy: 1.4991161878698336
Energy: 1.709282138556555
Energy: 1.4991161878698336
Energy: 1.7092821385555943
Energy: 1.4991161878693533
Energy: 1.709282138555114
Energy: 1.4991161878693533
Energy: 1.5227510660907728
Energy: 1.6564502586331762
Energy: 1.5227510660912533
Energy: 1.6564502586331762
Energy: 1.5227510660907728
Energy: 1.6564502586336567
Energy: 1.5227510660902923
Energy: 1.6970962461785657
Energy: 1.6474420032793449
Energy: 1.6970962461780852
Energy: 1.6474420032793449
Energy: 1.6970962461790458
Energy: 1.6474420032793449
Energy: 1.6970962461780852
Energy: 1.6969179812099613
Energy: 1.6473848161103573
Energy: 1.6969179812094808
Energy: 1.6473848161093965
Energy: 1.6969179812104416
Energy: 1.6473848161103573
Energy: 1.6969179812090003
Energy: 1.6144964257554686
Energy: 1.727026143326944
Energy: 1.6144964257554686
Energy: 1.727026143326944
Energy: 1.6144964257554686
Energy: 1.7270261433274245
Energy: 1.6144964257564296
Energy: 1.6237604445420348
Energy: 1.7507423911501494
Energy: 1.6237604445415543
Energy: 1.7507423911501494
Energy: 1.6237604445420348
Energy: 1.7507423911511102
Energy: 1.6237604445401133
Energy: 1.6966977025925096
Energy: 1.7084612254827236
Energy: 1.6966977025925096
Energy: 1.7084612254841651
Energy: 1.6966977025925096
Energy: 1.7084612254827236
Energy: 1.6966977025925096
Energy: 1.6655010022955399
Energy: 1.6606867635022393
Energy: 1.6655010022955399
Energy: 1.6606867635017588
Energy: 1.6655010022960204
Energy: 1.6606867635017588
Energy: 1.6655010022950596
Energy: 1.4944095480336101
Energy: 1.5025171941709206
Energy: 1.4944095480355317
Energy: 1.5025171941728421
Energy: 1.494409548036973
Energy: 1.5025171941723618
Energy: 1.494409548036973
Energy: 1.6452444071958812
Energy: 1.7451739189323368
Energy: 1.6452444071939598
Energy: 1.7451739189323368
Energy: 1.645244407195401
Energy: 1.7451739189323368
Energy: 1.6452444071949206
Energy: 1.6186904309359147
Energy: 1.656087830303401
Energy: 1.618690430936395
Energy: 1.6560878303029205
Energy: 1.6186904309368753
Energy: 1.656087830303401
Energy: 1.6186904309354342
Energy: 1.6196655032903429
Energy: 1.6545592509805345
Energy: 1.6196655032908234
Energy: 1.6545592509810148
Energy: 1.6196655032898628
Energy: 1.654559250980054
Energy: 1.6196655032898628
Energy: 1.6616578075563575
Energy: 1.6372791327656326
Energy: 1.6616578075558772
Energy: 1.6372791327656326
Energy: 1.6616578075563575
Energy: 1.6372791327656326
Energy: 1.6616578075563575
Energy: 1.7452610251241925
Energy: 1.7631332661868981
Energy: 1.7555941644907767
Energy: 1.7631332661859376
Energy: 1.7555941644898156
Energy: 1.763133266186418
Energy: 1.7555941644898156
Energy: 1.7319085373131164
Energy: 1.8167212844090155
Energy: 1.7319085373126362
Energy: 1.816721284409976
Energy: 1.731908537313597
Energy: 1.8167212844090155
Energy: 1.7319085373126362
Energy: 1.4984342271025528
Energy: 1.5178543548600074
Energy: 1.4984342271015922
Energy: 1.5178543548595271
Energy: 1.4984342271011117
Energy: 1.5178543548590466
Energy: 1.4984342271011117
Energy: 1.5224714494328213
Energy: 1.6701517147089044
Energy: 1.5224714494333016
Energy: 1.670151714709385
Energy: 1.5224714494328213
Energy: 1.6701517147089044
Energy: 1.5224714494333016
Energy: 1.6966486268377448
Energy: 1.6566681781960293
Energy: 1.6966486268372645
Energy: 1.6566681781955488
Energy: 1.6966486268372645
Energy: 1.6566681781955488
Energy: 1.7123019547188987
Energy: 1.6722193941867274
Energy: 1.7504941562842622
Energy: 1.6722193941872079
Energy: 1.7504941562842622
Energy: 1.6722193941872079
Energy: 1.7504941562852228
Energy: 1.6722193941876882
Energy: 1.607093457736959
Energy: 1.6340220559906986
Energy: 1.607093457736959
Energy: 1.634022055989738
Energy: 1.607093457735998
Energy: 1.634022055988777
Energy: 1.607093457736959
Energy: 1.7449669562148729
Energy: 1.7266794263187983
Energy: 1.7449669562153534
Energy: 1.7266794263183178
Energy: 1.7449669562143924
Energy: 1.726679426319759
Energy: 1.7449669562148729
Energy: 1.6904659041267085
Energy: 1.6576732532763707
Energy: 1.6904659041267085
Energy: 1.6576732532768512
Energy: 1.762633147023884
Energy: 1.6576732532763707
Energy: 1.7626331470243641
Energy: 1.6345390543405451
Energy: 1.7089058115445328
Energy: 1.6345390543405451
Energy: 1.708905811543572
Energy: 1.634539054342947
Energy: 1.7089058115430917
Energy: 1.634539054341506
Energy: 1.4884610731428465
Energy: 1.5056554701903853
Energy: 1.4884610731418857
Energy: 1.5056554701903853
Energy: 1.4884610731428465
Energy: 1.5056554701903853
Energy: 1.4884610731414054
Energy: 1.6721027256896481
Energy: 1.7214484443956872
Energy: 1.6721027256901284
Energy: 1.7214484443961677
Energy: 1.6721027256901284
Energy: 1.7214484443961677
Energy: 1.6721027256901284
Energy: 1.6327508984295975
Energy: 1.6565487629889621
Energy: 1.6327508984305585
Energy: 1.6565487629889621
Energy: 1.632750898430078
Energy: 1.6565487629894426
Energy: 1.7195586052414915
Energy: 1.6194824048971954
Energy: 1.7365742793049563
Energy: 1.6194824048971954
Energy: 1.7365742793035155
Energy: 1.619482404896715
Energy: 1.736574279304476
Energy: 1.619482404895754
Energy: 1.620906663982204
Energy: 1.6525950126858984
Energy: 1.6209066639817236
Energy: 1.6525950126863789
Energy: 1.620906663982204
Energy: 1.6525950126863789
Energy: 1.620906663982204
Energy: 1.6973938675962266
Energy: 1.7624104536074081
Energy: 1.6973938675962266
Energy: 1.762410453606447
Energy: 1.6973938675962266
Energy: 1.7624104536069276
Energy: 1.6973938675962266
Energy: 1.836340951429701
Energy: 1.7746139309924813
Energy: 1.7642493113863462
Energy: 1.7746139309929616
Energy: 1.7749016499331531
Energy: 1.7746139309929616
Energy: 1.7833330638660252
Energy: 1.5062927191578657
Energy: 1.5174112722120645
Energy: 1.5062927191583462
Energy: 1.517411272213025
Energy: 1.5062927191583462
Energy: 1.5174112722125446
Energy: 1.5062927191583462

minimum gb energy = 1.4884610731414054 eV
minimum distance =  2.6702050196806 Angstroms
sigma value = 39


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

Energy: 1.6111996064722738
Energy: 1.6628184230353449
Energy: 1.6111996064739746
Energy: 1.6628184230364786
Energy: 1.6111996064728407
Energy: 1.6628184230370457
Energy: 1.6111996064734075
Energy: 1.6566251828500622
Energy: 1.4843754929185335
Energy: 1.6566251828500622
Energy: 1.4843754929179664
Energy: 1.6566251828500622
Energy: 1.4843754929179664
Energy: 1.6566251828500622
Energy: 1.567390428835565
Energy: 1.5210332806318876
Energy: 1.567390428834998
Energy: 1.521033280630187
Energy: 1.5673904288361318
Energy: 1.521033280630187
Energy: 1.5673904288344311
Energy: 1.6789384400908853
Energy: 1.48391736784751
Energy: 1.678938440089184
Energy: 1.48391736784751
Energy: 1.6789384400880505
Energy: 1.4839173678469433
Energy: 1.6789384400897511
Energy: 1.6585271450054475
Energy: 1.485866025220265
Energy: 1.6585271450054475
Energy: 1.485866025220265
Energy: 1.6585271450071484
Energy: 1.485866025219698
Energy: 1.6585271450077155
Energy: 1.6790026055381442
Energy: 1.5537880298208184
Energy: 1.6790026055387115
Energy: 1.5537880298219524
Energy: 1.6790026055387115
Energy: 1.553788029822519
Energy: 1.6790026055387115
Energy: 1.7232760254742068
Energy: 1.6090276974354818
Energy: 1.683040895379108
Energy: 1.6090276974360487
Energy: 1.6503423177370304
Energy: 1.609027697434915
Energy: 1.5905356776228665
Energy: 1.6515342667294912
Energy: 1.564725024625115
Energy: 1.6515342667306252
Energy: 1.564725024625115
Energy: 1.6515342667294912
Energy: 1.5647250246245483
Energy: 1.6515342667300583
Energy: 1.6813102147141674
Energy: 1.565370694463543
Energy: 1.6813102147147345
Energy: 1.565370694463543
Energy: 1.6813102147141674
Energy: 1.56537069446411
Energy: 1.6813102147153012
Energy: 1.5690877182621223
Energy: 1.6306555858267047
Energy: 1.5690877182626892
Energy: 1.6306555858267047
Energy: 1.5690877182615552
Energy: 1.6306555858261376
Energy: 1.5690877182621223
Energy: 1.6404406710000143
Energy: 1.6147029222110454
Energy: 1.647837673672059
Energy: 1.6147029222297546
Energy: 1.5869617978210775
Energy: 1.6147029222359912
Energy: 1.5869617978058213
Energy: 1.5715415270740547
Energy: 1.484303666814181
Energy: 1.5715415270740547
Energy: 1.4843036668147478
Energy: 1.5715415270740547
Energy: 1.4843036668147478
Energy: 1.5715415270740547
Energy: 1.6298074312886675
Energy: 1.511629411437676
Energy: 1.6298074312863995
Energy: 1.511629411438243
Energy: 1.6298074312892343
Energy: 1.5116294114388098
Energy: 1.6298074312892343
Energy: 1.5697051740644943
Energy: 1.4843450853190554
Energy: 1.569705174065061
Energy: 1.4843450853190554
Energy: 1.5697051740639274
Energy: 1.4843450853190554
Energy: 1.5697051740644943
Energy: 1.6422293580839804
Energy: 1.577221597721282
Energy: 1.6422293580839804
Energy: 1.5772215977201482
Energy: 1.6498440959497496
Energy: 1.5772215977195811
Energy: 1.578546503134035
Energy: 1.5697175250614699
Energy: 1.5537687501164414
Energy: 1.569717525062604
Energy: 1.5537687501175754
Energy: 1.569717525062604
Energy: 1.55376875012041
Energy: 1.569717525062037
Energy: 1.6875997188688023
Energy: 1.5651738697377122
Energy: 1.6875997188676684
Energy: 1.5651738697371453
Energy: 1.6875997188682352
Energy: 1.5651738697365785
Energy: 1.6875997188676684
Energy: 1.6595918760825206
Energy: 1.5642656320855524
Energy: 1.65959187608082
Energy: 1.5642656320855524
Energy: 1.6595918760813868
Energy: 1.5642656320849855
Energy: 1.659591876083088
Energy: 1.6555946801634622
Energy: 1.5991424494312214
Energy: 1.6555946801628951
Energy: 1.5991424494312214
Energy: 1.655594680164029
Energy: 1.5991424494312214
Energy: 1.6555946801623285
Energy: 1.56953414134197
Energy: 1.6240614742883992
Energy: 1.5695341413442376
Energy: 1.6240614742889663
Energy: 1.5695341413431037
Energy: 1.6240614742889663
Energy: 1.5695341413414028
Energy: 1.6722017826286562
Energy: 1.4852583899512726
Energy: 1.6722017826286562
Energy: 1.4852583899524063
Energy: 1.6722017826286562
Energy: 1.4852583899524063
Energy: 1.6722017826286562
Energy: 1.586328701337949
Energy: 1.4836585265595588
Energy: 1.586328701339083
Energy: 1.483658526558425
Energy: 1.586328701339083
Energy: 1.4836585265595588
Energy: 1.586328701338516
Energy: 1.7938868996290172
Energy: 1.5285305586050275
Energy: 1.7938868996284505
Energy: 1.5285305586050275
Energy: 1.7938868996290172
Energy: 1.5285305586061613
Energy: 1.7938868996278834
Energy: 1.6561015427224144
Energy: 1.483569953579195
Energy: 1.6561015427229813
Energy: 1.483569953580329
Energy: 1.6561015427224144
Energy: 1.483569953579195
Energy: 1.6561015427224144
Energy: 1.679647896865136
Energy: 1.5565003556037378
Energy: 1.6796478968640023
Energy: 1.5565003556020367
Energy: 1.6796478968657031
Energy: 1.5565003556026036
Energy: 1.6796478968645692
Energy: 1.657200273237691
Energy: 1.5557994255766803
Energy: 1.6572002732371238
Energy: 1.5557994255755463
Energy: 1.657200273237691
Energy: 1.5557994255766803
Energy: 1.657200273236557
Energy: 1.6447352660456218
Energy: 1.6111478134055808
Energy: 1.644735266045055
Energy: 1.611147813405014
Energy: 1.6447352660456218
Energy: 1.611147813405014
Energy: 1.6447352660456218
Energy: 1.6565267916314053
Energy: 1.567194254018436
Energy: 1.6565267916319721
Energy: 1.567194254019003
Energy: 1.6565267916314053
Energy: 1.56719425401957
Energy: 1.6565267916319721
Energy: 1.6111996064722738
Energy: 1.6628184230353449
Energy: 1.6111996064728407
Energy: 1.6628184230353449
Energy: 1.6111996064722738
Energy: 1.6628184230364786
Energy: 1.6111996064734075
Energy: 1.6566251828506293
Energy: 1.4843754929179664
Energy: 1.6566251828506293
Energy: 1.4843754929179664
Energy: 1.6566251828500622
Energy: 1.4843754929179664
Energy: 1.6566251828506293

minimum gb energy = 1.483569953579195 eV
minimum distance =  2.61182236382415 Angstroms
sigma value = 21


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

Energy: 1.544519144599266
Energy: 1.66186253522107
Energy: 1.544519144598578
Energy: 1.66186253522107
Energy: 1.544519144599266
Energy: 1.66186253522107
Energy: 1.544519144598578
Energy: 1.476551746535233
Energy: 1.5596207345510753
Energy: 1.4765517465338565
Energy: 1.5596207345510753
Energy: 1.4765517465359215
Energy: 1.5596207345517639
Energy: 1.476551746535233
Energy: 1.555437197007347
Energy: 1.4802845724341809
Energy: 1.555437197007347
Energy: 1.480284572434869
Energy: 1.5554371970066587
Energy: 1.4802845724341809
Energy: 1.555437197007347
Energy: 1.4426677306002167
Energy: 1.5449911451150755
Energy: 1.4426677306002167
Energy: 1.5449911451150755
Energy: 1.4426677306009055
Energy: 1.5449911451143872
Energy: 1.4426677306002167
Energy: 1.3691280604326277
Energy: 1.4268969714734454
Energy: 1.3691280604326277
Energy: 1.4268969714734454
Energy: 1.3691280604326277
Energy: 1.4268969714734454
Energy: 1.3691280604319394
Energy: 1.4101384915379238
Energy: 1.4823157796954787
Energy: 1.4101384915372357
Energy: 1.4823157796954787
Energy: 1.4101384915379238
Energy: 1.4823157796947903
Energy: 1.4101384915379238
Energy: 1.311874188387312
Energy: 1.5769514807704414
Energy: 1.311874188387312
Energy: 1.5769514804856277
Energy: 1.3118741883859353
Energy: 1.5769514805310219
Energy: 1.3118741883866238
Energy: 1.3357247361856432
Energy: 1.5120728558206475
Energy: 1.3357247361863314
Energy: 1.512072855819959
Energy: 1.3357247361870197
Energy: 1.512072855819959
Energy: 1.3357247361870197
Energy: 1.4099509900488014
Energy: 1.3827620795413267
Energy: 1.4099509900481133
Energy: 1.382762079542015
Energy: 1.4099509900481133
Energy: 1.382762079542015
Energy: 1.4099509900481133
Energy: 1.5232488634128412
Energy: 1.977943538672692
Energy: 1.5232488634135295
Energy: 1.977943538672692
Energy: 1.5232488634142176
Energy: 1.9779435386733801
Energy: 1.5232488634135295
Energy: 1.4173486057680507
Energy: 1.451204827638727
Energy: 1.4173486057687392
Energy: 1.4512048276380387
Energy: 1.4173486057680507
Energy: 1.451204827638727
Energy: 1.4173486057680507
Energy: 1.4238663159396558
Energy: 1.4792036393900978
Energy: 1.4238663159403444
Energy: 1.4792036393900978
Energy: 1.4238663159396558
Energy: 1.4792036393900978
Energy: 1.4238663159410325
Energy: 1.520961526567846
Energy: 1.5079502835995957
Energy: 1.520961526567846
Energy: 1.5079502835982188
Energy: 1.5209615265685343
Energy: 1.5079502835989076
Energy: 1.520961526567846
Energy: 1.4932290988334322
Energy: 1.805286002013131
Energy: 1.4932290988341204
Energy: 1.8052860020138193
Energy: 1.4932290988341204
Energy: 1.8052860020145076
Energy: 1.4932290988334322
Energy: 1.5519308304836836
Energy: 1.5849661404491746
Energy: 1.5519308304843717
Energy: 1.5849661404491746
Energy: 1.5519308304850599
Energy: 1.584966140448486
Energy: 1.5519308304850599
Energy: 1.4789184678446647
Energy: 1.5405628520077463
Energy: 1.4789184678446647
Energy: 1.5405628520070582
Energy: 1.4789184678453529
Energy: 1.5405628520084345
Energy: 1.4789184678446647
Energy: 1.4983942493901814
Energy: 1.5234861260338588
Energy: 1.4983942493894933
Energy: 1.5234861260338588
Energy: 1.4983942493901814
Energy: 1.5234861260338588
Energy: 1.4983942493894933
Energy: 1.4398962392181844
Energy: 1.6966669765370765
Energy: 1.4398962392168082
Energy: 1.6966669765377649
Energy: 1.4398962392174963
Energy: 1.6966669765370765
Energy: 1.4398962392168082
Energy: 1.3351661378396946
Energy: 1.4516256463618895
Energy: 1.3351661378390063
Energy: 1.451625646362578
Energy: 1.335166137838318
Energy: 1.4516256463612014
Energy: 1.3351661378390063
Energy: 1.335391551900133
Energy: 1.3937523414033541
Energy: 1.335391551900821
Energy: 1.3937523414026658
Energy: 1.335391551900821
Energy: 1.3937523414040422
Energy: 1.335391551900133
Energy: 1.409492194046952
Energy: 1.3826140389975474
Energy: 1.409492194046952
Energy: 1.3826140389975474
Energy: 1.4094921940462637
Energy: 1.3826140389975474
Energy: 1.4094921940476404
Energy: 1.3120800735576994
Energy: 1.9604392777551436
Energy: 1.3120800735583877
Energy: 1.9604392777551436
Energy: 1.3120800735590759
Energy: 1.9604392777551436
Energy: 1.3120800735576994
Energy: 1.3126624635714237
Energy: 1.5117205293827487
Energy: 1.3126624635728004
Energy: 1.5117205293820606
Energy: 1.312662463572112
Energy: 1.5117205293827487
Energy: 1.3126624635714237
Energy: 1.4091127149096412
Energy: 1.3935157140247452
Energy: 1.409112714908953
Energy: 1.3935157140247452
Energy: 1.4091127149103293
Energy: 1.3935157140233685
Energy: 1.4091127149096412
Energy: 1.4487189861608434
Energy: 1.4670384831426497
Energy: 1.448718986160155
Energy: 1.4670384831419612
Energy: 1.448718986160155
Energy: 1.4670384831419612
Energy: 1.448718986160155

minimum gb energy = 1.3118741883859353 eV
minimum distance =  2.51785906893477 Angstroms
sigma value = 113


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

Energy: 1.3630004518920478
Energy: 1.4184001080844841
Energy: 1.3630004518920478
Energy: 1.4184001080844841
Energy: 1.363000451895889
Energy: 1.4184001080844841
Energy: 1.3630004518920478
Energy: 1.2954265017731945
Energy: 1.3438546730731178
Energy: 1.2954265017731945
Energy: 1.3438546730731178
Energy: 1.2954265017731945
Energy: 1.3438546730731178
Energy: 1.2954265017731945
Energy: 1.359952815858067
Energy: 1.3221820427369395
Energy: 1.3599528158542258
Energy: 1.3221820427330984
Energy: 1.359952815858067
Energy: 1.3221820427330984
Energy: 1.359952815858067
Energy: 1.3421187294189076
Energy: 1.377640699223365
Energy: 1.3421187294150665
Energy: 1.377640699223365
Energy: 1.3421187294150665
Energy: 1.377640699223365
Energy: 1.3421187294112253
Energy: 1.2551712001064785
Energy: 1.449982071328138
Energy: 1.2551712001064785
Energy: 1.4499820713242966
Energy: 1.2551712001026372
Energy: 1.4499820713242966
Energy: 1.2551712001026372
Energy: 1.2748495306108136
Energy: 1.3017631419220101
Energy: 1.2748495306069723
Energy: 1.3017631419220101
Energy: 1.2748495306069723
Energy: 1.3017631419220101
Energy: 1.2748495306069723
Energy: 1.2612340553638037
Energy: 1.3092579627354262
Energy: 1.2612340553638037
Energy: 1.3092579627354262
Energy: 1.2612340553638037
Energy: 1.3092579627354262
Energy: 1.2612340553638037
Energy: 1.277390619060043
Energy: 1.23948188181729
Energy: 1.2773906190523605
Energy: 1.23948188181729
Energy: 1.2773906190523605
Energy: 1.23948188181729
Energy: 1.2773906190523605
Energy: 1.2841761006772845
Energy: 1.3800553402032731
Energy: 1.2841761006811259
Energy: 1.3800553402071143
Energy: 1.2841761006772845
Energy: 1.3800553402032731
Energy: 1.2841761006772845
Energy: 1.3201156744076654
Energy: 1.2439857314905447
Energy: 1.320115674403824
Energy: 1.2439857314905447
Energy: 1.320115674403824
Energy: 1.2439857314943858
Energy: 1.3201156744076654
Energy: 1.2390329792103176
Energy: 1.2423114741651171
Energy: 1.2390329792064765
Energy: 1.2423114741651171
Energy: 1.2390329792103176
Energy: 1.2423114741651171
Energy: 1.2390329792103176
Energy: 1.2851884634314972
Energy: 1.2676662042262434
Energy: 1.2851884634238149
Energy: 1.2676662042262434
Energy: 1.285188463427656
Energy: 1.2676662042262434
Energy: 1.285188463427656
Energy: 1.1837958920672194
Energy: 1.531061903199545
Energy: 1.183795892063378
Energy: 1.5310619031957036
Energy: 1.1837958920672194
Energy: 1.5310619031957036
Energy: 1.1837958920672194
Energy: 1.2821908608756876
Energy: 1.2794260112752303
Energy: 1.2821908608756876
Energy: 1.2794260112752303
Energy: 1.2821908608795285
Energy: 1.2794260112752303
Energy: 1.2821908608718462
Energy: 1.2508724173442916
Energy: 1.2013144863972087
Energy: 1.2508724173442916
Energy: 1.2013144863972087
Energy: 1.2508724173404504
Energy: 1.2013144863972087
Energy: 1.2508724173442916
Energy: 1.28820290529598
Energy: 1.527275793254021
Energy: 1.2882029052921387
Energy: 1.5272757932501801
Energy: 1.28820290529598
Energy: 1.527275793254021
Energy: 1.2882029052921387
Energy: 1.2400247303545575
Energy: 1.2201584745534189
Energy: 1.2400247303545575
Energy: 1.2201584745534189
Energy: 1.2400247303545575
Energy: 1.2201584745534189
Energy: 1.2400247303545575
Energy: 1.277667651024536
Energy: 1.2598035184868674
Energy: 1.277667651024536
Energy: 1.259803518483026
Energy: 1.277667651024536
Energy: 1.259803518483026
Energy: 1.2776676510206948
Energy: 1.2521189771128907
Energy: 1.2555408357326523
Energy: 1.2521189771128907
Energy: 1.2555408357288114
Energy: 1.2521189771128907
Energy: 1.2555408357288114
Energy: 1.2521189771128907
Energy: 1.2674344329877645
Energy: 1.4164967551852072
Energy: 1.2674344329877645
Energy: 1.416496755311896
Energy: 1.2674344329877645
Energy: 1.4164967555691141
Energy: 1.267434432983923
Energy: 1.276507691895752
Energy: 1.2737780521248172
Energy: 1.276507691895752
Energy: 1.2737780521248172
Energy: 1.2765076918995935
Energy: 1.2737780521248172
Energy: 1.276507691895752
Energy: 1.3226527372741477
Energy: 1.2621940628291546
Energy: 1.3226527372703063
Energy: 1.2621940628291546
Energy: 1.3226527372703063
Energy: 1.2621940628253134
Energy: 1.3226527372741477
Energy: 1.321254066224827
Energy: 1.267853480360161
Energy: 1.321254066224827
Energy: 1.267853480360161
Energy: 1.3212540662209862
Energy: 1.2678534803640025
Energy: 1.321254066224827
Energy: 1.3024483865195926
Energy: 1.4565752048675706
Energy: 1.3024483865157515
Energy: 1.4565752048675706
Energy: 1.3024483865195926
Energy: 1.4565752048675706
Energy: 1.3024483865195926
Energy: 1.4385451329207315
Energy: 1.327449154703849
Energy: 1.4385451329207315
Energy: 1.327449154703849
Energy: 1.4385451329207315
Energy: 1.327449154703849
Energy: 1.4385451329207315
Energy: 1.3536568989738722
Energy: 1.3471494290992565
Energy: 1.353656898970031
Energy: 1.3471494290954156
Energy: 1.353656898970031
Energy: 1.3471494291030979
Energy: 1.353656898970031
Energy: 1.385704928089517
Energy: 1.334185067359808
Energy: 1.385704928089517
Energy: 1.334185067275372
Energy: 1.3857049280856757
Energy: 1.334185067590208
Energy: 1.3857049280856757
Energy: 1.3227572845234243
Energy: 1.6378752523882407
Energy: 1.322757284519583
Energy: 1.6378752523882407
Energy: 1.322757284519583
Energy: 1.6378752523882407
Energy: 1.322757284519583
Energy: 1.4638953021569703
Energy: 1.3470348829882666
Energy: 1.4638953021608114
Energy: 1.3470348829882666
Energy: 1.4638953021531291
Energy: 1.3470348829921077
Energy: 1.4638953021531291
Energy: 1.31630634315345
Energy: 1.2818985938445777
Energy: 1.31630634315345
Energy: 1.2818985938445777
Energy: 1.3163063431572912
Energy: 1.2818985938445777
Energy: 1.31630634315345
Energy: 1.2536478684735277
Energy: 1.3837734577220198
Energy: 1.2536478684735277
Energy: 1.3837734577220198
Energy: 1.2536478684773689
Energy: 1.3837734577220198
Energy: 1.2536478684735277
Energy: 1.2390561482297362
Energy: 1.5340864457413033
Energy: 1.2390561482297362
Energy: 1.5340864457413033
Energy: 1.2390561482297362
Energy: 1.5340864457451446
Energy: 1.2390561482297362
Energy: 1.4300437621865212
Energy: 1.2987077406689598
Energy: 1.4300437621865212
Energy: 1.2987077406689598
Energy: 1.4300437621865212
Energy: 1.2987077406689598
Energy: 1.4300437621903626
Energy: 1.240593779698892
Energy: 1.2964854415927838
Energy: 1.240593779702733
Energy: 1.2964854414890723
Energy: 1.240593779702733
Energy: 1.2964854415812603
Energy: 1.240593779698892
Energy: 1.2968001861957785
Energy: 1.2675921966509074
Energy: 1.2968001861957785
Energy: 1.2675921966509074
Energy: 1.2968001861957785
Energy: 1.2675921966509074
Energy: 1.2968001861996197
Energy: 1.2205859084652702
Energy: 1.4722787750257684
Energy: 1.2205859084652702
Energy: 1.4722787750257684
Energy: 1.2205859084652702
Energy: 1.4722787750257684
Energy: 1.2205859084652702
Energy: 1.4168444178505908
Energy: 1.248347583534757
Energy: 1.4168444178505908
Energy: 1.248347583534757
Energy: 1.4168444178505908
Energy: 1.248347583534757
Energy: 1.4168444178468198
Energy: 1.2229479689718648
Energy: 1.2101195944540126
Energy: 1.2229479689718648
Energy: 1.2101195944540126
Energy: 1.2229479689718648
Energy: 1.2101195944501715
Energy: 1.2229479689718648
Energy: 1.2798770835705877
Energy: 1.181816836753071
Energy: 1.2798770835705877
Energy: 1.18181683674923
Energy: 1.2798770835705877
Energy: 1.181816836753071
Energy: 1.2798770835705877
Energy: 1.1844152777649959
Energy: 1.4508306602473298
Energy: 1.1844152777649959
Energy: 1.450830660255012
Energy: 1.1844152777649959
Energy: 1.4508306601973946
Energy: 1.1844152777649959
Energy: 1.2414265206961692
Energy: 1.28289375541939
Energy: 1.2414265206961692
Energy: 1.28289375541939
Energy: 1.2414265206923283
Energy: 1.28289375541939
Energy: 1.2414265206961692
Energy: 1.251498067467836
Energy: 1.2009105891243281
Energy: 1.2514980674639948
Energy: 1.2009105891204872
Energy: 1.251498067467836
Energy: 1.2009105891204872
Energy: 1.251498067467836
Energy: 1.2977652464871998
Energy: 1.5239558328525582
Energy: 1.2977652464871998
Energy: 1.5239558328525582
Energy: 1.2977652464871998
Energy: 1.5239558328525582
Energy: 1.2977652464871998
Energy: 1.255327836359503
Energy: 1.2244700725031996
Energy: 1.2553278363633444
Energy: 1.2244700725031996
Energy: 1.2553278363633444
Energy: 1.2244700724993585
Energy: 1.2553278363633444
Energy: 1.2772616408247752
Energy: 1.2748409259649844
Energy: 1.2772616408247752
Energy: 1.274840925961143
Energy: 1.2772616408247752
Energy: 1.274840925961143
Energy: 1.2772616408286162

minimum gb energy = 1.18181683674923 eV
minimum distance =  2.54863921026811 Angstroms
sigma value = 365


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

Energy: 0.4453513108360802
Energy: 0.47152711947258474
Energy: 0.4453513108352142
Energy: 0.47152711947258474
Energy: 0.4453513108360802
Energy: 0.47152711947258474
Energy: 0.4453513108352142
Energy: 3.333326194026523
Energy: 1.5038088605091582
Energy: 3.353969660030316
Energy: 1.5038088605100242
Energy: 2.6255619928881404
Energy: 1.5038088605091582
Energy: 2.6255619928881404
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108360802
Energy: 3.0899353943743133
Energy: 1.5038088605091582
Energy: 3.0899353943743133
Energy: 1.5038088605091582
Energy: 3.353969660031182
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 0.4453513108352142
Energy: 0.47152711947258474
Energy: 0.4453513108360802
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 0.47152711947258474
Energy: 0.4453513108360802
Energy: 2.625561992889007
Energy: 1.5038088605100242
Energy: 2.625561992889007
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 1.5038088605100242
Energy: 2.625561992889007
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108360802
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 2.625561992887275
Energy: 1.503808860508292
Energy: 2.6255619928881404
Energy: 1.5038088605091582
Energy: 2.6255619928881404
Energy: 1.503808860508292
Energy: 2.625561992889007
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108360802
Energy: 0.47152711947258474
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108360802
Energy: 2.762467492201915
Energy: 1.5038088605091582
Energy: 2.762467492201915
Energy: 1.5038088605091582
Energy: 2.7518830951194815
Energy: 1.5038088605091582
Energy: 2.6255619928881404
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108360802
Energy: 0.47152711947085263
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108360802
Energy: 2.625561992889007
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 1.503808860508292
Energy: 2.625561992889007
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 0.4453513108360802
Energy: 0.47152711947258474
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108360802
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 2.6255619928881404
Energy: 1.503808860508292
Energy: 2.625561992889007
Energy: 1.5038088605091582
Energy: 2.6255619928881404
Energy: 1.503808860508292
Energy: 2.625561992889007
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108360802
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 0.47152711947085263
Energy: 0.4453513108360802
Energy: 2.625561992889007
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 1.503808860508292
Energy: 2.625561992889873
Energy: 1.5038088605091582
Energy: 2.625561992889873
Energy: 0.4453513108352142
Energy: 0.47152711947258474
Energy: 0.4453513108360802
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 0.47152711947258474
Energy: 0.4453513108360802
Energy: 2.6255619928881404
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 1.503808860508292
Energy: 2.625561992889873
Energy: 1.5038088605091582
Energy: 2.6255619928881404
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108352142
Energy: 0.47152711947171866
Energy: 0.4453513108360802
Energy: 0.47152711947085263
Energy: 0.4453513108352142
Energy: 2.625561992889873
Energy: 1.503808860508292
Energy: 2.625561992889007
Energy: 1.5038088605091582
Energy: 2.625561992889007
Energy: 1.503808860508292
Energy: 2.625561992889007

minimum gb energy = 0.4453513108352142 eV
minimum distance =  2.66140239499521 Angstroms
sigma value = 23