Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023164852002
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.019524427988738335
Energy: -0.7151220129490942
Energy: -0.7217597146134114
Energy: 1.316777792301476
Energy: -0.721759338378154
Energy: -0.7198193676661462
Energy: 0.019524427988738335
Energy: -0.720278822295365
Energy: -0.7217596199660316
Energy: 1.504104681262937
Energy: 0.5763146964231052
Energy: -0.7208567362190953
Energy: -0.7207335041786914
Energy: 0.5708471160624974
Energy: -0.7207335047230459
Energy: -0.7208748138905386
Energy: 0.5763146964231052
Energy: -0.7208572591972301
Energy: -0.7207335056905612
Energy: 0.5708471160624974
Energy: 0.019524427988738335
Energy: -0.7201285775276685
Energy: -0.7217686040441318
Energy: 1.3167435095683075
Energy: -0.721763102697243
Energy: -0.7197823839969975
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Energy: -0.7178664113167676
Energy: -0.7217698601150567
Energy: 1.5041046812589622
Energy: 0.5763146964231052
Energy: -0.720857778716675
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Energy: 0.5763146964231052
Energy: -0.7207912707822285
Energy: -0.7207335013417788
Energy: 0.5708471160624974
Energy: 0.019524427988738335
Energy: -0.7191803740942856
Energy: -0.7217528685657483
Energy: 1.5041046812609498
Energy: -0.7217687748968816
Energy: -0.7198038223307864
Energy: 0.019524427988738335
Energy: -0.7199313409770284
Energy: -0.7217531586584013
Energy: 1.5041046812569747
Energy: 0.5763146964231052
Energy: -0.7206715583649151
Energy: -0.7207335038330439
Energy: 0.5708471160624974
Energy: -0.7207334985525667
Energy: -0.7207781627362617
Energy: 0.5763146964211177
Energy: -0.7206967693954123
Energy: -0.7207335054521493
Energy: 0.5708471160624974
Energy: 0.019524427988738335
Energy: -0.7199416342527122
Energy: -0.7217663755541985
Energy: 1.5041046812609498
Energy: -0.7217660471154346
Energy: -0.7201314829998345
Energy: 0.019524427988738335
Energy: -0.7202463992429218
Energy: -0.7217629624665174
Energy: 1.504104681262937

minimum gb energy = -0.7217698601150567 eV
minimum distance =  2.50979553776856 Angstroms
sigma value = 3


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

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Energy: 0.3513355125284961
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Energy: 0.09009865899950702
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Energy: 0.9041288337082198
Energy: 0.24171415995873716
Energy: 0.18468197408505063
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Energy: 0.09148399693628938
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Energy: 0.2987003538411274
Energy: 0.24171415995581613
Energy: 0.18468197408991904
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Energy: 0.09148399694456569
Energy: 0.37300695833960174
Energy: 0.036474664546369516
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Energy: 0.3843470905717852
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Energy: 0.37300695833960174
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Energy: 0.3517973784155502
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Energy: 0.23782855631825844
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Energy: 0.15317907869810862
Energy: 0.2378285563177716
Energy: 0.16838963486874964
Energy: 0.31218673062291125
Energy: 0.12692245433432872

minimum gb energy = -0.022455696958891547 eV
minimum distance =  2.48842486558789 Angstroms
sigma value = 75


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

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Energy: 0.6360597844860503
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minimum gb energy = 0.45970171235775154 eV
minimum distance =  2.43470508602253 Angstroms
sigma value = 105


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

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Energy: 0.9144836654483395
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Energy: 0.5621174241677908
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Energy: 0.8278542795786558
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Energy: 0.611405137324733
Energy: 0.8121701681700612
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Energy: 0.8278542795791918
Energy: 0.6018533487254449
Energy: 0.6894647120788062
Energy: 0.6114051373260972
Energy: 0.6034181733820188
Energy: 0.5518457399198429
Energy: 0.9860636754312374
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Energy: 0.7631777819345941
Energy: 0.6034181733846987
Energy: 0.5518457399174067
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Energy: 0.6199490684570721
Energy: 0.7692919572218666
Energy: 0.6196862939153147
Energy: 0.7150968459285812
Energy: 0.6036304357073624
Energy: 0.6624890447044357
Energy: 0.6910492195530086
Energy: 0.7692919572250825
Energy: 0.6196862939161429
Energy: 0.7150968459269732
Energy: 0.6036304357073624
Energy: 0.5684035650333674
Energy: 0.5290591586676674
Energy: 0.6912903079922629
Energy: 0.7133309521610091
Energy: 0.8921861227323279
Energy: 0.5708271654720399
Energy: 0.5684035650349754
Energy: 0.529059158666303
Energy: 0.691290307992799
Energy: 0.7133309521612528
Energy: 0.7548515828383965
Energy: 0.7091544809786291
Energy: 0.6018071295061624
Energy: 0.5664961170893089
Energy: 0.7296140638115257
Energy: 0.7533999511893783
Energy: 0.7548515828351805
Energy: 0.7091544809794087
Energy: 0.6018071295074781
Energy: 0.566496117087165
Energy: 0.7258573483528649
Energy: 0.6873571960676031
Energy: 0.5992730880230697
Energy: 0.6952973661085311
Energy: 0.7404729560097512
Energy: 0.8208811017108519
Energy: 0.7258573483510132
Energy: 0.6873571960727195
Energy: 0.5992730880241417
Energy: 0.6952973661096031

minimum gb energy = 0.40494301608126454 eV
minimum distance =  2.45865864581195 Angstroms
sigma value = 165


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

Energy: 1.1690787302142083
Energy: 1.2540801449478094
Energy: 1.160465655206975
Energy: 0.4423652169109013
Energy: 1.1606342462144665
Energy: 1.254237648903304
Energy: 1.1690787302142083
Energy: 1.2540801449597698
Energy: 1.1604656552364163
Energy: 0.4424734244142745
Energy: 0.8070812130426803
Energy: 1.2138204799099634
Energy: 1.1631785091095612
Energy: 0.8089342110423314
Energy: 1.1254217631457264
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Energy: 0.8070812130518809
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Energy: 1.163178509106801
Energy: 0.8089342110533719
Energy: 1.1478208338986267
Energy: 0.2824431086452759
Energy: 0.26287885890785595
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Energy: 1.0097207663379495
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Energy: 1.0303113827126813
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Energy: 0.4612092365174316
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Energy: 0.4527082904176858
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Energy: 0.46036371521334024
Energy: 1.1624270563011032
Energy: 0.24765151924390374
Energy: 1.1430544048967801
Energy: 0.24673198470294128
Energy: 0.8229675872118408
Energy: 0.9938085069535213
Energy: 1.1250967352618253
Energy: 0.9949770414640494
Energy: 1.1430544048958602
Energy: 0.24698445817842893
Energy: 0.8229675872118408
Energy: 0.9938085069544413
Energy: 0.38503598130605404
Energy: 0.26454789740543044
Energy: 0.2815550768187196
Energy: 1.147810359848056
Energy: 0.26387630844041227
Energy: 1.1746512406767928
Energy: 0.38497432576675844
Energy: 0.2642083254608938
Energy: 0.2814811610455579
Energy: 1.147810359847136
Energy: 0.8089302742238231
Energy: 1.1631757156068752
Energy: 1.2138964647219344
Energy: 0.8064602994282434
Energy: 1.1433173448560736
Energy: 1.1254225148344164
Energy: 0.8089302742284233
Energy: 1.1631757156087152
Energy: 1.2138956455302623
Energy: 0.8064602994954065
Energy: 0.5643130628304325
Energy: 1.1606342462439079
Energy: 1.2542376488509033
Energy: 1.1690787302169685
Energy: 1.254080144984611
Energy: 1.1604656552759363
Energy: 0.4609226422264574
Energy: 1.1606342462236672
Energy: 1.2542376488720226
Energy: 1.1690787302142083

minimum gb energy = 0.2414557095322551 eV
minimum distance =  2.50342368666652 Angstroms
sigma value = 41


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

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Energy: 0.28613828020604126
Energy: 0.17564197415277943
Energy: 0.10551956466233227
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Energy: 0.2145608549757952
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Energy: 0.24210243867754852
Energy: 0.10655367060778545
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Energy: 0.2125946877058336
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Energy: 0.24210243867826245
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Energy: 0.295370058007335
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Energy: 0.09787121158388401
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Energy: 0.17478445493078051
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Energy: 0.17478445493220843
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Energy: 0.24236726580488865
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Energy: 0.17427840689334598
Energy: 0.10738541471962681
Energy: 0.24236726580521317
Energy: 0.09052178476088275
Energy: 0.2327990141999802
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Energy: 0.20342206755333891
Energy: 0.09991092647140476
Energy: 0.02273712780026094
Energy: 0.015405470274344657
Energy: 0.10780368099244075
Energy: 0.09577990534329117
Energy: 0.2034220675551562
Energy: 0.09991092647069083
Energy: 0.0227371278013643
Energy: 0.015405470272202843
Energy: -0.04738782044502115
Energy: 0.17464991652744868
Energy: 0.29146480585412415
Energy: -0.025668855416310497
Energy: 0.10726448271801882
Energy: 0.24285604625845778
Energy: -0.04738782044612451
Energy: 0.1746499165264102
Energy: 0.2914648058562659
Energy: -0.02566885541559656
Energy: 0.20866704190280352
Energy: 0.17462082903492923
Energy: 0.24543400857341552
Energy: 0.09530356795484488
Energy: 0.5382522434619206
Energy: 0.25346168876045155
Energy: 0.20866704190351745
Energy: 0.17462082903421527
Energy: 0.2454340085727016
Energy: 0.09530356795166463
Energy: 0.14806279641134792
Energy: 0.10945900473533586
Energy: 0.17377286297055872
Energy: 0.17446027766164882
Energy: 0.07977582676158052
Energy: 0.17501040695788458
Energy: 0.148062796410634
Energy: 0.10945900473747767
Energy: 0.17377286297088324
Energy: 0.17446027765879307

minimum gb energy = -0.09561007166246788 eV
minimum distance =  2.48994404747875 Angstroms
sigma value = 185


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

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Energy: 0.9646790574073907
Energy: 0.9351232320576063
Energy: 0.5988217192956202
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Energy: 0.9700170365652797
Energy: 1.0264057190622708
Energy: 0.9340504225888805
Energy: 0.9759641249756713
Energy: 1.3698178095308708
Energy: 1.369105223193932
Energy: 0.9327023992771806
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Energy: 0.993786065037512
Energy: 0.9019223068504276
Energy: 0.9355007993536094
Energy: 1.3691052231956269
Energy: 0.9327023992776045
Energy: 0.9138850621179797
Energy: 0.9937860650256473
Energy: 1.0275014828178606
Energy: 0.9123723338492021
Energy: 0.9132613089441092
Energy: 1.3810010365466467
Energy: 0.9353180446112546
Energy: 0.9919634267037354
Energy: 1.0275014828182842
Energy: 0.9123723338487785
Energy: 0.9132613089432617
Energy: 1.3810010365470704
Energy: 1.3850560454153071
Energy: 0.9773672358931053
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Energy: 1.124595787870739
Energy: 0.9858219681943999
Energy: 0.9164394794579147
Energy: 1.3850560454161547
Energy: 0.9773672358901776
Energy: 0.965047274137877
Energy: 1.1245957878728579

minimum gb energy = 0.5915328304214138 eV
minimum distance =  2.49816895917973 Angstroms
sigma value = 33


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

Energy: 0.6635064973907909
Energy: 0.6510840750961399
Energy: 0.5876762173969176
Energy: 0.7552279241383688
Energy: 0.44645455178195986
Energy: 0.6476346827872856
Energy: 0.6635064973884647
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Energy: 0.6133516481647127
Energy: 0.4124448796117741
Energy: 0.4368689838189357
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Energy: 0.5838416787544269
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Energy: 0.6181085584296135
Energy: 0.6050907931186121
Energy: 0.4921787055021531
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Energy: 0.4563662052034825
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Energy: 0.4319084719032741
Energy: 0.49217870550447923
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Energy: 0.45636620520580873
Energy: 0.4236436456954419
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Energy: 0.5138599484653891
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Energy: 0.5629140558698601
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Energy: 0.7538495854571712
Energy: 0.5056254190311055
Energy: 0.6819519525054086
Energy: 0.6052310193063675
Energy: 0.6457682437945705

minimum gb energy = 0.40131405324383695 eV
minimum distance =  2.4404159235679 Angstroms
sigma value = 219


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

Energy: 0.2897958522180022
Energy: 0.3105177148416305
Energy: 0.0594838744806132
Energy: 0.8759731481287722
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Energy: 0.36502622593621364
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Energy: 0.28842835381010473
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Energy: 0.05980882412830942
Energy: 0.06017084334642937
Energy: 0.28876720118666865
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Energy: 0.28842835381010473
Energy: 0.24528433153172025
Energy: 0.05980882412830942
Energy: 0.060170843347968905
Energy: 0.059015327863017907
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Energy: 0.05946257915553484
Energy: 0.41387655375735133
Energy: 0.45529718585108137
Energy: 0.30811237023379173
Energy: 0.059015327863017907
Energy: 0.23969199645769454
Energy: 0.05946257915553484
Energy: 0.41387655375581184

minimum gb energy = 0.05894772694570334 eV
minimum distance =  2.52763172169827 Angstroms
sigma value = 15


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

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Energy: 0.35220532673131727
Energy: 0.30765717670298776
Energy: 0.5385952029646537
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minimum gb energy = 0.009070462432698703 eV
minimum distance =  2.48869479230701 Angstroms
sigma value = 293


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

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Energy: 0.6929606205419085
Energy: 0.6929517641225882
Energy: 0.7668393881637801
Energy: 0.5971505915839875
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Energy: 0.7666644022783436
Energy: 0.7776452842642622
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Energy: 0.9286050204899595
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Energy: 0.777645284260437
Energy: 0.8026399357835242
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Energy: 0.9330840715458922
Energy: 0.6739943312225226
Energy: 0.7161260328836153
Energy: 0.6818121870836138
Energy: 0.8260303049678719
Energy: 0.6705727510020711
Energy: 0.6565425207010306
Energy: 0.6739943312239136
Energy: 0.7161260328836153
Energy: 0.6818121870843094
Energy: 0.826030304970654
Energy: 0.6345147177635374
Energy: 0.6909312918164422
Energy: 1.014554481518514
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Energy: 0.8086667273086738
Energy: 0.778645594629582
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Energy: 0.6909312918150513
Energy: 1.014554481518514
Energy: 0.7421738265098076
Energy: 0.9087100588998968
Energy: 0.7575718923291388
Energy: 0.8996339772240426
Energy: 0.8505468709645285
Energy: 0.9328270163261585
Energy: 0.9527147458966583
Energy: 0.90871005890094
Energy: 0.7575718923308776
Energy: 0.8996339772243904
Energy: 0.850546870965224
Energy: 0.7941753666447253
Energy: 0.7470662800617781
Energy: 0.8124485671719966
Energy: 0.8066270050202878
Energy: 0.8555462577993177
Energy: 0.8544428530813569
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Energy: 0.7470662800624737
Energy: 0.8124485671730399
Energy: 0.8066270050233859
Energy: 0.6474768180779014
Energy: 0.7607318988129698
Energy: 0.683871172216004
Energy: 0.6611968939943746
Energy: 0.7196564133798478
Energy: 0.9526327501831515
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Energy: 0.6611968939947225
Energy: 0.9257856864523814
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Energy: 0.7153343034900842
Energy: 1.0100688269415723
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Energy: 0.7268920631522333
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Energy: 0.7267831477765427
Energy: 0.7153343034900842
Energy: 1.0100688269429317
Energy: 0.7201591417498616
Energy: 0.9526848287662621
Energy: 0.7196624085728117
Energy: 0.6609182473992388
Energy: 0.6839246017296231
Energy: 0.760797633336535
Energy: 0.7201591417488183
Energy: 0.9526848287666099
Energy: 0.7196624085735073
Energy: 0.6609182473995865
Energy: 0.7160098536045263
Energy: 0.8534269481656851
Energy: 0.7509140016418793
Energy: 0.8068246634609019
Energy: 0.7470554044974616
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Energy: 0.8534269481684671
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Energy: 0.8068246634619451
Energy: 1.0953047257755668
Energy: 0.9527459791285305
Energy: 0.898454466278274
Energy: 0.850861877718536
Energy: 0.899112182477721
Energy: 0.7574518299686609
Energy: 1.0953047257759148
Energy: 0.9527459791295738
Energy: 0.8984544662800127
Energy: 0.850861877721318
Energy: 0.6343151444490751
Energy: 0.778645594629582
Energy: 0.8086568252233806
Energy: 0.7421404311709727
Energy: 1.0145544815192091
Energy: 0.6907993104112737
Energy: 0.6343151444476842
Energy: 0.7786455946292342
Energy: 0.8086568252244238
Energy: 0.7421404311702773
Energy: 0.6740326976475552
Energy: 0.6566030933968343
Energy: 0.6703933150889835
Energy: 0.8261285797612646
Energy: 0.6814614668903168
Energy: 0.7161302632582834
Energy: 0.6740326976506849
Energy: 0.6566030933950955
Energy: 0.6703933150893312
Energy: 0.8261285797591782
Energy: 0.7776125939489353
Energy: 0.6683341162243214
Energy: 0.913560301918252
Energy: 0.9328990249164381
Energy: 0.9282497925369338
Energy: 0.8028527967066854
Energy: 0.7776125939489353
Energy: 0.6683341162243214
Energy: 0.9135603019203385
Energy: 0.9328990249185245
Energy: 0.7666644022766049
Energy: 0.6929606205415608
Energy: 0.6929517641229361
Energy: 0.7668393881623892
Energy: 0.5971505915843354
Energy: 0.5969073830006546
Energy: 0.7666644022786914
Energy: 0.6929606205394743
Energy: 0.6929517641232839
Energy: 0.7668393881616937
Energy: 0.9330840715497173
Energy: 0.9136706569774862
Energy: 0.6684627816708272
Energy: 0.7776452842611324
Energy: 0.8026399357831765
Energy: 0.9286050204857867
Energy: 0.9330840715497173
Energy: 0.9136706569771385
Energy: 0.6684627816725658
Energy: 0.7776452842625234
Energy: 0.8260303049661332
Energy: 0.6705727510006801
Energy: 0.6565425207024215
Energy: 0.6739943312232182
Energy: 0.7161260328850063
Energy: 0.6818121870843094
Energy: 0.8260303049685674
Energy: 0.6705727510017234
Energy: 0.656542520701726
Energy: 0.6739943312253046
Energy: 0.7421738265066778
Energy: 0.8086667273128467
Energy: 0.7786455946281909
Energy: 0.6345147177638853
Energy: 0.6909312918164422
Energy: 1.0145544815202525
Energy: 0.742173826507721
Energy: 0.8086667273093692
Energy: 0.7786455946278433
Energy: 0.634514717764233
Energy: 0.850546870965224
Energy: 0.9328270163233765
Energy: 0.9527147458970059
Energy: 0.90871005890094
Energy: 0.7575718923305298
Energy: 0.8996339772236949
Energy: 0.8505468709676582
Energy: 0.9328270163265061
Energy: 0.9527147458963104
Energy: 0.9087100588985056

minimum gb energy = 0.5969073830006546 eV
minimum distance =  2.44704676036092 Angstroms
sigma value = 293


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

Energy: 0.22782982315266784
Energy: 0.8664675592078119
Energy: 0.16147310040241858
Energy: 0.6722197026300772
Energy: 0.16146271510193536
Energy: 0.6782459773636947
Energy: 0.22782982315455338
Energy: 0.8664675592078119
Energy: 0.16147310040179005
Energy: 0.6722197026307059
Energy: 0.1616083344894154
Energy: 0.7426456010899616
Energy: 0.16138516657571042
Energy: 0.8669307948916894
Energy: 1.1715291815548905
Energy: 0.6694521725087522
Energy: 0.16160833449004391
Energy: 0.6360330524372729
Energy: 0.1613851665750819
Energy: 1.0446940848398398
Energy: 0.49616131065205926
Energy: 0.21617306229141908
Energy: 0.9029442526249187
Energy: 0.28584335231349645
Energy: 0.21698871564670802
Energy: 0.16177563044851276
Energy: 0.49616131065205926
Energy: 0.2161730622920476
Energy: 0.9029442526444025
Energy: 0.2858433523122394
Energy: 0.9029223312095475
Energy: 0.21615667703600383
Energy: 0.4961881507171973
Energy: 0.1617605111230795
Energy: 0.2123195343072214
Energy: 0.28583811599315273
Energy: 0.9029223311913205
Energy: 0.21615667703600383
Energy: 0.49618815071908284
Energy: 0.16176051112245096
Energy: 0.16138772620844755
Energy: 0.9585015611818859
Energy: 0.16147443599176795
Energy: 0.6694504282478152
Energy: 1.1715927022011219
Energy: 0.4725668385959157
Energy: 0.16138772620781902
Energy: 0.9585015611806288
Energy: 0.16147443599051095
Energy: 0.6694504282478152
Energy: 0.16146271510130683
Energy: 0.6782459773636947
Energy: 0.22782982315581038
Energy: 0.8664675592078119
Energy: 0.16147310040241858
Energy: 0.5185249316127587
Energy: 0.16146271510130683
Energy: 0.8664078015168004
Energy: 0.22782982315392486
Energy: 0.8664675592078119
Energy: 1.171529181554262
Energy: 0.6694521725106376
Energy: 0.1616083344894154
Energy: 0.8352200709581686
Energy: 0.16138516657696741
Energy: 0.8669307948922894
Energy: 1.1715291815536335
Energy: 0.6694521725100092
Energy: 0.1616083344881584
Energy: 0.6360330524379014
Energy: 0.21698871564670802
Energy: 0.16177563044788426
Energy: 0.4961613106514594
Energy: 0.21617306229141908
Energy: 0.902944252642517
Energy: 0.28584335231475344
Energy: 0.21698871564733654
Energy: 0.16177563044976978
Energy: 0.4961613106495738
Energy: 0.21617306229141908
Energy: 0.21231953430784992
Energy: 0.28583811599189574
Energy: 0.9029223312321452
Energy: 0.2161566770353753
Energy: 0.4961881507184543
Energy: 0.1617605111230795
Energy: 0.21231953430847839
Energy: 0.2858381159925242
Energy: 0.9029223312145754
Energy: 0.21615667703851787
Energy: 1.1715927022042643
Energy: 0.4382980501750819
Energy: 0.16138772620844755
Energy: 0.5819844537047105
Energy: 0.16147443598988245
Energy: 0.6694504282509578
Energy: 1.1715927022042643
Energy: 0.4725668385946873
Energy: 0.16138772620907604
Energy: 0.9585015611812574
Energy: 0.16147310040116156
Energy: 0.6901508323436488
Energy: 0.16146271510130683
Energy: 0.8664078015149148
Energy: 0.22782982315581038
Energy: 0.8664675592078119
Energy: 0.16147310040116156
Energy: 0.6922431734036066
Energy: 0.16146271510130683
Energy: 0.8664078015168004
Energy: 0.16138516657633892
Energy: 0.8669307948929179
Energy: 1.1715291815530047
Energy: 0.6694521725087522
Energy: 0.16160833448878692
Energy: 0.8352200709587972
Energy: 0.16138516657696741
Energy: 1.0446940834564635
Energy: 1.1715291815530047
Energy: 0.6694521725112662
Energy: 0.9029442526305753
Energy: 0.2858433523122394
Energy: 0.21698871564670802
Energy: 0.16177563044788426
Energy: 0.4961613106514594
Energy: 0.2161730622895336
Energy: 0.9029442526255472
Energy: 0.28584335231475344
Energy: 0.21698871564607955
Energy: 0.16177563045039828
Energy: 0.49618815072096834
Energy: 0.1617605111230795
Energy: 0.21231953430847839
Energy: 0.28583811599315273
Energy: 0.9029223312089188
Energy: 0.2161566770353753
Energy: 0.49618815072096834
Energy: 0.16176051112245096
Energy: 0.21231953430847839
Energy: 0.2858381159937812
Energy: 0.16147443598862543
Energy: 0.6694504282490724
Energy: 1.1715927022055215
Energy: 0.47256683859531584
Energy: 0.16138772620970457
Energy: 0.6921609182390719
Energy: 0.16147443599051095
Energy: 0.6694504282503293
Energy: 1.1715927022048929
Energy: 0.47256683859343024
Energy: 0.22782982315581038
Energy: 0.8664675592071834
Energy: 0.16147310040053303
Energy: 0.6901508323449059
Energy: 0.16146271510067836
Energy: 0.8664078015174289
Energy: 0.22782982315581038
Energy: 0.8664675592059266
Energy: 0.16147310040179005
Energy: 0.8742259438091325
Energy: 0.16160833449004391
Energy: 0.8520560892851263
Energy: 0.16138516657633892
Energy: 1.0446940851966615
Energy: 1.1715291815530047
Energy: 0.6694521725087522
Energy: 0.1616083344881584
Energy: 0.8352200709562833
Energy: 0.16138516657633892
Energy: 1.0446940852443993
Energy: 0.4961613106508308
Energy: 0.2161730622901621
Energy: 0.9029442526205191
Energy: 0.28584335231349645
Energy: 0.21698871564670802
Energy: 0.16177563044788426
Energy: 0.49616131065205926
Energy: 0.21617306229141908
Energy: 0.9029442526343463
Energy: 0.28584335231286795
Energy: 0.9029223312126898
Energy: 0.21615667703788935
Energy: 0.4961881507203398
Energy: 0.16176051112370798
Energy: 0.2123195343091069
Energy: 0.28583811599189574
Energy: 0.9029223312045193
Energy: 0.2161566770353753
Energy: 0.4961881507203398
Energy: 0.16176051112245096
Energy: 0.16138772620844755
Energy: 0.6921609182378149
Energy: 0.16147443599051095
Energy: 0.6694504282503293
Energy: 1.1715927022042643
Energy: 0.4725668385946873
Energy: 0.16138772620844755
Energy: 0.6921609182384434
Energy: 0.16147443599051095
Energy: 0.6694504282503293
Energy: 0.16146271510193536
Energy: 0.8664078015174289
Energy: 0.22782982315455338
Energy: 0.8664675592071834
Energy: 0.16147310040179005
Energy: 0.6901508323442773
Energy: 0.16146271510130683
Energy: 0.8664078015168004
Energy: 0.22782982315455338
Energy: 0.8664675592078119
Energy: 1.1715291815561473
Energy: 0.6694521725074952
Energy: 0.16160833449004391
Energy: 0.8520560892838691
Energy: 0.16138516657633892
Energy: 1.0446940851018138
Energy: 1.1715291815548905
Energy: 0.6694521725093807
Energy: 0.1616083344894154
Energy: 0.8352200709587972

minimum gb energy = 0.1613851665750819 eV
minimum distance =  2.43078207084258 Angstroms
sigma value = 15


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

Energy: 0.6876860129841597
Energy: 0.6019942536768055
Energy: 0.4820058824331786
Energy: 0.8760970524935497
Energy: 0.48202280141444986
Energy: 0.6020268088736521
Energy: 0.6876860129813106
Energy: 0.6019942536739565
Energy: 0.4820058824360276
Energy: 0.8760970524935497
Energy: 0.28672673715581976
Energy: 0.4927076333962681
Energy: 0.4839073568059871
Energy: 0.2941018063706169
Energy: 0.32411179437002596
Energy: 0.39470947225816244
Energy: 0.28672673715297076
Energy: 0.4927076333962681
Energy: 0.4839073568059871
Energy: 0.2941018063706169
Energy: 0.42661577079241614
Energy: 0.2941942189992107
Energy: 0.6289894055112092
Energy: 0.46465917789168093
Energy: 0.8215904591673423
Energy: 0.5167092773840121
Energy: 0.42661577079526514
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Energy: 0.4646591778945299
Energy: 0.46131167060598544
Energy: 0.4083150048792936
Energy: 0.3013540343161472
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Energy: 0.46131167060598544
Energy: 0.4083150048764446
Energy: 0.3013540343132982
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Energy: 0.6651407599011879
Energy: 0.5231759466000129
Energy: 0.3418693577192475
Energy: 0.41933953727587786
Energy: 0.3423959684570416
Energy: 0.26278607935370335
Energy: 0.6651407599011879
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Energy: 0.3418693577163985
Energy: 0.41933953727587786
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Energy: 0.46017507766790455
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Energy: 0.27188951717665505
Energy: 0.7092885335867499
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Energy: 0.46017507767355076
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Energy: 0.4230235985623125
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Energy: 0.38513739624765514
Energy: 0.31684045961970053
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Energy: 0.68258910000202
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Energy: 0.35424866864571547
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Energy: 0.20195328183032263
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Energy: 0.5308256296265484
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Energy: 0.6947839782715668
Energy: 0.3747216409665283
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Energy: 0.41193456535782336
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Energy: 0.5492606076507603
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Energy: 0.1971511910597161
Energy: 0.41193456535782336
Energy: 0.29758834681120416
Energy: 0.539139073252046
Energy: 0.4917179557984388
Energy: 0.24449908288099967
Energy: 0.4934648336354117
Energy: 0.2720183013968393
Energy: 0.29758834681120416
Energy: 0.539139073252046
Energy: 0.4917179558012878
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Energy: 0.6685230486690784
Energy: 0.4135875501157496
Energy: 0.48929362987264874
Energy: 0.6200435815944958
Energy: 0.3253786426376873
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Energy: 0.6685230486690784
Energy: 0.4135875501185986
Energy: 0.48929362987264874
Energy: 0.6200435815916467
Energy: 0.4372912384771839
Energy: 0.41305341376161436
Energy: 0.37722657847745483
Energy: 0.3062700987000667
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Energy: 0.42042169683403613
Energy: 0.4372912384800329
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Energy: 0.37722657847745483
Energy: 0.3062700987000667
Energy: 0.5623640325525264
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Energy: 0.7297805553650519
Energy: 0.35939596289390907
Energy: 0.4688781562025823
Energy: 0.8254260104594338
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Energy: 0.7447268624141314
Energy: 0.729780555362203
Energy: 0.35939596289390907
Energy: 0.177561303095986
Energy: 0.5451967503151993
Energy: 0.4481862995173623
Energy: 0.3274212826298073
Energy: 0.5004763912527201
Energy: 0.30859171084762993
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Energy: 0.5451967503151993
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Energy: 0.8138979485999416
Energy: 0.4817268721638022
Energy: 0.29407974778514756
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Energy: 0.5988223100043454
Energy: 0.8138979486027906
Energy: 0.4817268721638022
Energy: 0.2940797477822987
Energy: 0.624871744525796
Energy: 0.4324728727066935
Energy: 0.3288961474883839
Energy: 0.388311046594323
Energy: 0.32402505518798924
Energy: 0.39327995495646606
Energy: 0.4833599504378872
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Energy: 0.32889614749123297
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Energy: 0.3240250551851402
Energy: 0.17712793862578982
Energy: 0.4670851908331804
Energy: 0.47539980848193514
Energy: 0.5084362433326262
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Energy: 0.4532326033902064
Energy: 0.17712793862578982
Energy: 0.4670851908331804
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Energy: 0.4191382293761024
Energy: 0.5963612958872132
Energy: 0.4679893845143202
Energy: 0.49807259589201164
Energy: 0.7109562126362057
Energy: 0.25344033871613453
Energy: 0.4191382293789514
Energy: 0.596361295890062
Energy: 0.4679893845200182
Energy: 0.4980725958977097
Energy: 0.5395000318246164
Energy: 0.34576328562873565
Energy: 0.32537141533707065
Energy: 0.2774248897197867
Energy: 0.3830221423764826
Energy: 0.25132425917264706
Energy: 0.5395000318246164
Energy: 0.3457632856315847
Energy: 0.32537141533707065
Energy: 0.27742488971693763
Energy: 0.8730305010998498
Energy: 0.46570482411535
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Energy: 0.7119199058834071
Energy: 0.41950893704148734
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Energy: 0.38433635219292783
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Energy: 0.3346350912273282
Energy: 0.4693040300511078
Energy: 0.4193138514139878
Energy: 0.1774755926070806
Energy: 0.38433635219292783
Energy: 0.2922570291729684
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Energy: 0.5077212775094729
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Energy: 0.40747084052154575
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Energy: 0.1774044902115629
Energy: 0.5077212775094729
Energy: 0.4836453603168015
Energy: 0.40747084052154575
Energy: 0.280804505605774

minimum gb energy = 0.1276630476291575 eV
minimum distance =  2.52564472891568 Angstroms
sigma value = 437


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

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Energy: 0.42309352656673793
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Energy: 0.057558844342870015
Energy: -0.12368783282016908
Energy: 0.2581133650481043
Energy: 0.12063603450032988
Energy: -0.12197023015485439
Energy: 0.2770629684477327
Energy: 0.010108874892259142
Energy: 0.12011037023713299
Energy: 0.2581133650481043
Energy: 0.12063603668011512
Energy: -0.12197023015174054
Energy: 0.2770629684466948
Energy: 0.4227855886839476
Energy: 0.23116171146846143
Energy: 0.20643065347413125
Energy: -0.12365463851837859
Energy: 0.05741603289226162
Energy: -0.1252720299666671
Energy: 0.4227855886839476
Energy: 0.23116171147261325
Energy: 0.20643065347413125
Energy: -0.12365463851837859
Energy: 0.21103703563216392
Energy: 0.37402691408848154
Energy: 0.056369127167625835
Energy: -0.10311734093894925
Energy: 0.04226284118995721
Energy: 0.17124845183159967
Energy: 0.21103703563216392
Energy: 0.3740269140936713
Energy: 0.05636912716866379
Energy: -0.10311734094102513

minimum gb energy = -0.1257659959172039 eV
minimum distance =  2.52527499288675 Angstroms
sigma value = 33