Model name: model_name=SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521521747112274
cohesive_energy=2.8873704626537773
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -2.89356288719753 eV

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

Energy: 0.014432106691308372
Energy: 0.5988494561196384
Energy: 0.319486102124305
Energy: 0.5988370955601483
Energy: 0.014432106691308372
Energy: 0.5988494561196384
Energy: 0.5619232613044929
Energy: 0.5610853782927954
Energy: 0.014786121071723467
Energy: 0.35646906683656976
Energy: 0.015021235059041826
Energy: 0.5610853782927954
Energy: 0.014786121071723467
Energy: 0.35646906683656976
Energy: 0.014432106691308372
Energy: 0.5988494561196384
Energy: 0.319486102124305
Energy: 0.5988370955601483
Energy: 0.014432106691308372
Energy: 0.5988494561196384
Energy: 0.5619232613044929
Energy: 0.5610853782927954
Energy: 0.014786121071723467
Energy: 0.35646906683656976
Energy: 0.015021235059041826
Energy: 0.5610853782927954
Energy: 0.014786121071723467
Energy: 0.35646906683656976
Energy: 0.014432106691308372
Energy: 0.5988494561196384
Energy: 0.319486102124305
Energy: 0.5988370955601483
Energy: 0.014432106691308372
Energy: 0.5988494561196384
Energy: 0.5619232613044929
Energy: 0.5610853782927954
Energy: 0.014786121071723467
Energy: 0.35646906683656976
Energy: 0.015021235059041826
Energy: 0.5610853782927954
Energy: 0.014786121071723467
Energy: 0.35646906683656976

minimum gb energy = 0.014432106691308372 eV
minimum distance =  2.46978392097069 Angstroms
sigma value = 5


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

Energy: 1.524389310680476
Energy: 1.499325176203203
Energy: 1.5261621120003352
Energy: 1.4987359230812096
Energy: 1.524389310680476
Energy: 1.499325176203203
Energy: 1.5261621120003352
Energy: 1.4049308189464809
Energy: 1.4058646285447065
Energy: 1.49792602495885
Energy: 1.4381015656984877
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Energy: 1.4058646285447065
Energy: 1.4979260249623663
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Energy: 1.4481867935368298
Energy: 1.5672773557034314
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Energy: 1.3740137662036382
Energy: 1.5216767110184921
Energy: 1.4207323598396049
Energy: 1.3927486417130237
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Energy: 1.5304610993324803
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Energy: 1.3968874960943283
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Energy: 1.5264624526701736
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Energy: 1.4954930068016288
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Energy: 1.5150911354375278
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Energy: 1.5212507801449828
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Energy: 1.4401433922711666
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Energy: 1.3940602936632933
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Energy: 1.4297939959601886
Energy: 1.4678055846916824
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Energy: 1.3979938549343898
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Energy: 1.4641158627955035
Energy: 1.411673801454528
Energy: 1.5450277330440643
Energy: 1.3880141475756524
Energy: 1.4641158627955035
Energy: 1.411673801454528
Energy: 1.5450277330440643
Energy: 1.5251084517214868
Energy: 1.427465763722196
Energy: 1.545613144029589
Energy: 1.4768142871547503
Energy: 1.5251084517214868
Energy: 1.427465763722196
Energy: 1.545613144029589
Energy: 1.4495157786774064
Energy: 1.3856248924620542
Energy: 1.511995905891937
Energy: 1.4176665422126713
Energy: 1.4495157786774064
Energy: 1.3856248924620542
Energy: 1.511995905891937
Energy: 1.35961055713169
Energy: 1.4054438681896966
Energy: 1.5256430822315155
Energy: 1.3997748619807708
Energy: 1.35961055713169
Energy: 1.4054438681896966
Energy: 1.5256430822282923
Energy: 1.3894422766632226
Energy: 1.468772560988748
Energy: 1.539311441044448
Energy: 1.4795262165721026
Energy: 1.3894422766632226
Energy: 1.468772560988748
Energy: 1.5393114410473194
Energy: 1.3579570248519925
Energy: 1.4442344964837686
Energy: 1.4729196522128236
Energy: 1.399117148478274
Energy: 1.3579570248519925
Energy: 1.4442344964837686
Energy: 1.4729196522128236

minimum gb energy = 1.3577838634232666 eV
minimum distance =  2.19418481763319 Angstroms
sigma value = 401


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

Energy: 1.4617688187263516
Energy: 1.5173137233194174
Energy: 1.511901061354198
Energy: 1.4920635326503984
Energy: 1.4617688187263516
Energy: 1.5173137233194174
Energy: 1.511901061354198
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Energy: 1.5647761146006094
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Energy: 1.5173137233194174
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Energy: 1.4138601102619752
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Energy: 1.4490782701445266
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Energy: 1.4019632815110687
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Energy: 1.3748959502906821
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Energy: 1.4551606162590287
Energy: 1.3851499518101238
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Energy: 1.4783467848430327
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Energy: 1.4169142041892713
Energy: 1.4783467848430327
Energy: 1.3855677806967193
Energy: 1.3761694318881847
Energy: 1.416602351769979
Energy: 1.4189454448115009
Energy: 1.3855677806967193
Energy: 1.3761694318881847
Energy: 1.416602351769979
Energy: 1.3720390109898533
Energy: 1.4103213341148626
Energy: 1.4581588894338824
Energy: 1.398498414001851
Energy: 1.3720390109898533
Energy: 1.4103213341148626
Energy: 1.4581588894338824
Energy: 1.409056212862636
Energy: 1.4677365122794124
Energy: 1.4817255620115548
Energy: 1.3969746446857871
Energy: 1.409056212862636
Energy: 1.4677365122794124
Energy: 1.4817255620115548
Energy: 1.418801171362742
Energy: 1.4872292668030755
Energy: 1.5162647561401674
Energy: 1.3929030227030377
Energy: 1.418801171362742
Energy: 1.4872292668030755
Energy: 1.5162647561401674
Energy: 1.3751666644837903
Energy: 1.403611749557405
Energy: 1.5514694196426595
Energy: 1.4009724453154595
Energy: 1.3751666644837903
Energy: 1.403611749557405
Energy: 1.5514694196426595
Energy: 1.35623859725794
Energy: 1.4029170498705508
Energy: 1.5451453528578976
Energy: 1.4643800753856522
Energy: 1.35623859725794
Energy: 1.4029170498705508
Energy: 1.5451453528578976
Energy: 1.350020338108075
Energy: 1.5173137233194174
Energy: 1.511901061354198
Energy: 1.4920635326503984
Energy: 1.350020338108075
Energy: 1.5173137233194174
Energy: 1.511901061354198
Energy: 1.3628158862027313
Energy: 1.3922128660686053
Energy: 1.5775999002752197
Energy: 1.42512101136226
Energy: 1.3628158862027313
Energy: 1.3922128660686053
Energy: 1.5775999002752197

minimum gb energy = 1.350020338108075 eV
minimum distance =  2.18411867502648 Angstroms
sigma value = 311


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

Energy: 1.5151110937713248
Energy: 1.4124720992243098
Energy: 1.546871004394855
Energy: 1.4042791227844036
Energy: 1.5151110937713248
Energy: 1.4124720992243098
Energy: 1.546871004394855
Energy: 1.5230923718794054
Energy: 1.3761461142584457
Energy: 1.5102693998781327
Energy: 1.4617712463622088
Energy: 1.5230923718794054
Energy: 1.3761461142584457
Energy: 1.5102693998781327
Energy: 1.4392118099870377
Energy: 1.4621035993103468
Energy: 1.5636736549458994
Energy: 1.4360339316408859
Energy: 1.4392118099870377
Energy: 1.4621035993103468
Energy: 1.5636736549458994
Energy: 1.4211196968981055
Energy: 1.400177933649088
Energy: 1.5782149720253853
Energy: 1.376960298696112
Energy: 1.4211196968981055
Energy: 1.400177933649088
Energy: 1.5782149720253853
Energy: 1.4452245077314645
Energy: 1.4114661366479127
Energy: 1.5171186782091717
Energy: 1.4336360863972006
Energy: 1.4452245077314645
Energy: 1.4114661366479127
Energy: 1.5171186782091717
Energy: 1.419974071356885
Energy: 1.3734038995166837
Energy: 1.4719965318923764
Energy: 1.4137883105944316
Energy: 1.4199740713564624
Energy: 1.3734038995166837
Energy: 1.4719965318923764
Energy: 1.426318067485041
Energy: 1.4037302164051124
Energy: 1.535615940385337
Energy: 1.456397657654168
Energy: 1.426318067485041
Energy: 1.4037302164046899
Energy: 1.535615940385337
Energy: 1.4186821958422016
Energy: 1.3960701002744857
Energy: 1.6037519710379489
Energy: 1.4001673834538013
Energy: 1.4186821958422016
Energy: 1.3960701002744857
Energy: 1.6037519710379489
Energy: 1.4302296493098667
Energy: 1.4028570007562111
Energy: 1.6226037968026832
Energy: 1.3956864696805253
Energy: 1.4302296493098667
Energy: 1.4028570007562111
Energy: 1.6580424875640447
Energy: 1.4077039386776367
Energy: 1.450796959466735
Energy: 1.5485686624935988
Energy: 1.487176186243051
Energy: 1.4077039386776367
Energy: 1.450796959466735
Energy: 1.5485686624935988
Energy: 1.4975237271418371
Energy: 1.448525182624294
Energy: 1.5461599890554338
Energy: 1.395891148754195
Energy: 1.4975237271418371
Energy: 1.448525182624294
Energy: 1.5461599890554338
Energy: 1.456038233676407
Energy: 1.4564318666137661
Energy: 1.5363516243033897
Energy: 1.44711856249521
Energy: 1.456038233676407
Energy: 1.4564318666137661
Energy: 1.5363516243033897
Energy: 1.4533057820853266
Energy: 1.396398340033395
Energy: 1.5287194447647985
Energy: 1.4333764316628588
Energy: 1.4533057820853266
Energy: 1.396398340033395
Energy: 1.5287194447647985
Energy: 1.401410633919973
Energy: 1.455029490625016
Energy: 1.5231504216267007
Energy: 1.4380110609151624
Energy: 1.401410633919973
Energy: 1.455029490625016
Energy: 1.5231504216267007
Energy: 1.4591617036989653
Energy: 1.4270803843031707
Energy: 1.5232219978337116
Energy: 1.3849547909808233
Energy: 1.4591617036989653
Energy: 1.4270803843031707
Energy: 1.523221997834134
Energy: 1.435279244898221
Energy: 1.4534421080199815
Energy: 1.5089423059325073
Energy: 1.4510583992165431
Energy: 1.435279244898221
Energy: 1.4534421080199815
Energy: 1.5089423059329299
Energy: 1.51984607212
Energy: 1.3692822565821194
Energy: 1.4659662074906683
Energy: 1.4455539622323954
Energy: 1.51984607212
Energy: 1.3692822565821194
Energy: 1.4659662074906683
Energy: 1.4138722870032503
Energy: 1.4872436913351677
Energy: 1.5047016788841057
Energy: 1.4643400132365954
Energy: 1.4138722870032503
Energy: 1.487243691334745
Energy: 1.504701678884528
Energy: 1.4184958275102983
Energy: 1.3986101299842892
Energy: 1.5693490268255434
Energy: 1.4004388361997282
Energy: 1.4184958275102983
Energy: 1.3986101299847116
Energy: 1.5693490268255434
Energy: 1.4186772567998365
Energy: 1.4023628519568216
Energy: 1.6197058643539295
Energy: 1.3962938331632224
Energy: 1.4186772567998365
Energy: 1.4023628519568216
Energy: 1.6197058643539295
Energy: 1.413910660481014
Energy: 1.4483210518439846
Energy: 1.4728631679733835
Energy: 1.4038500636023497
Energy: 1.413910660481014
Energy: 1.4483210518444072
Energy: 1.4728631679733835
Energy: 1.4196620161821452
Energy: 1.4140274605821634
Energy: 1.553259108505474
Energy: 1.400345171406169
Energy: 1.4196620161821452
Energy: 1.414027460581741
Energy: 1.553259108505474
Energy: 1.5110589146432922
Energy: 1.4337746425947027
Energy: 1.540546054067371
Energy: 1.4115649702199873
Energy: 1.5110589146432922
Energy: 1.4337746425947027
Energy: 1.540546054067371
Energy: 1.4397331675564946
Energy: 1.3705399893543337
Energy: 1.553758952723904
Energy: 1.4286186282794835
Energy: 1.439733167556917
Energy: 1.3705399893543337
Energy: 1.553758952723904
Energy: 1.4081764571390079
Energy: 1.435988155079285
Energy: 1.5449742931507147
Energy: 1.4476542168381517
Energy: 1.4081764571390079
Energy: 1.435988155079285
Energy: 1.5449742931507147
Energy: 1.5146939862308064
Energy: 1.474192211777642
Energy: 1.5109760326719077
Energy: 1.369730607658877
Energy: 1.5146939862303836
Energy: 1.474192211777642
Energy: 1.5109760326719077
Energy: 1.471454287716444
Energy: 1.4045211563717472
Energy: 1.5353450276067782
Energy: 1.404462201311994
Energy: 1.4714542877160213
Energy: 1.4045211563717472
Energy: 1.5353450276063558
Energy: 1.5472930333150678
Energy: 1.3699973899383067
Energy: 1.5486915996092774
Energy: 1.440244176677096
Energy: 1.5472930333150678
Energy: 1.3699973899357716
Energy: 1.5486915996092774
Energy: 1.443266307396825
Energy: 1.4476223882540962
Energy: 1.5642299470404404
Energy: 1.4434427231340214
Energy: 1.443266307396825
Energy: 1.4476223882536738
Energy: 1.564229947040863
Energy: 1.4422312552999015
Energy: 1.3875222065162414
Energy: 1.5590996798230332
Energy: 1.3702301892728783
Energy: 1.4422312552999015
Energy: 1.3875222065162414
Energy: 1.5590996798230332
Energy: 1.463550370355666
Energy: 1.4116424739041347
Energy: 1.5563316336377804
Energy: 1.4507853747665318
Energy: 1.463550370355666
Energy: 1.4116424739041347
Energy: 1.5563316336377804
Energy: 1.4165604939321732
Energy: 1.423435573979942
Energy: 1.4803259904673487
Energy: 1.4275875856615186
Energy: 1.4165604939321732
Energy: 1.423435573979942
Energy: 1.4803259904673487
Energy: 1.4003123375460087
Energy: 1.4002518630068028
Energy: 1.4996031589995629
Energy: 1.443028776129676
Energy: 1.4003123375455864
Energy: 1.4002518630068028
Energy: 1.4996031589995629
Energy: 1.418616041983702
Energy: 1.3964173876933985
Energy: 1.5550121493183706
Energy: 1.3989943742459698
Energy: 1.4186160419832796
Energy: 1.3964173876933985
Energy: 1.5550121493183706
Energy: 1.4285869959375874
Energy: 1.4003933518957101
Energy: 1.648620392980922
Energy: 1.4059512128221383
Energy: 1.4285869959375874
Energy: 1.4003933518957101
Energy: 1.648620392980922
Energy: 1.4030351786979651
Energy: 1.4525046242618538
Energy: 1.5134813232771405
Energy: 1.487301979369422
Energy: 1.4030351786979651
Energy: 1.4525046242618538
Energy: 1.5134813232771405

minimum gb energy = 1.3692822565821194 eV
minimum distance =  2.20346388046309 Angstroms
sigma value = 39


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

Energy: 1.3703023511171126
Energy: 1.4304152106307026
Energy: 1.529200590630409
Energy: 1.4302619690609992
Energy: 1.3703023511171126
Energy: 1.4304152106307026
Energy: 1.4736810655255017
Energy: 1.3490249307068494
Energy: 1.4762574717626158
Energy: 1.3765350953976183
Energy: 1.4762040196796005
Energy: 1.3490249307068494
Energy: 1.4762574717626158
Energy: 1.3765350953976183
Energy: 1.370202723927858
Energy: 1.2735999231552957
Energy: 1.4282656069946487
Energy: 1.3598529136986424
Energy: 1.3702027239283567
Energy: 1.2735999231552957
Energy: 1.4282656069946487
Energy: 1.3810540125426223
Energy: 1.4535353963936561
Energy: 1.376524699697038
Energy: 1.4078045578130889
Energy: 1.3810540125421236
Energy: 1.4535353963936561
Energy: 1.376524699697038
Energy: 1.466929050176928
Energy: 1.3593814448241375
Energy: 1.3573897449444425
Energy: 1.3595359814875076
Energy: 1.466929050176928
Energy: 1.3593814448241375
Energy: 1.3573897449444425
Energy: 1.3806231400227504
Energy: 1.4073111068646489
Energy: 1.478755233147813
Energy: 1.4071340998679525
Energy: 1.3806231400227504
Energy: 1.4073111068646489
Energy: 1.478755233147813
Energy: 1.5394461249182623
Energy: 1.3594778029115706
Energy: 1.402035678709814
Energy: 1.3595092950106158
Energy: 1.5394461249182623
Energy: 1.3594778029115706
Energy: 1.402035678709814
Energy: 1.3498657251235455
Energy: 1.3274316824432442
Energy: 1.5340597670750469
Energy: 1.3274494209404581
Energy: 1.3498657251235455
Energy: 1.3274316824432442
Energy: 1.5340597670750469
Energy: 1.5390042286944516
Energy: 1.3615774486196426
Energy: 1.466930569035926
Energy: 1.360357118878162
Energy: 1.5390042286944516
Energy: 1.3615774486196426
Energy: 1.4042393560020863
Energy: 1.380463383928249
Energy: 1.407077022251844
Energy: 1.4786685407140263
Energy: 1.4072798264491093
Energy: 1.380463383928249
Energy: 1.407077022251844
Energy: 1.4786685407140263
Energy: 1.4669554556956286
Energy: 1.359473922757503
Energy: 1.4157323939086026
Energy: 1.3595723065651448
Energy: 1.4669554556951299
Energy: 1.3594739227570043
Energy: 1.4205580391635997
Energy: 1.3808091146205523
Energy: 1.4081175123599416
Energy: 1.3765189444181034
Energy: 1.526623377831214
Energy: 1.3808091146205523
Energy: 1.408117512359443
Energy: 1.3765189444181034
Energy: 1.3701243378006365
Energy: 1.3599469095645698
Energy: 1.4414564020904292
Energy: 1.273525839498066
Energy: 1.3701243378006365
Energy: 1.3599469095645698
Energy: 1.4093155868600824
Energy: 1.3487243557263158
Energy: 1.4762224185927175
Energy: 1.3769071356513658
Energy: 1.476290540290285
Energy: 1.3487243557268145
Energy: 1.4762224185927175
Energy: 1.3769071356513658
Energy: 1.3703023511171126
Energy: 1.4304152106307026
Energy: 1.514435210767284
Energy: 1.4302619690609992
Energy: 1.3703023511171126
Energy: 1.4304152106307026
Energy: 1.4736810655255017
Energy: 1.3490249307068494
Energy: 1.4762574717626158
Energy: 1.3765350953976183
Energy: 1.4762040196796005
Energy: 1.3490249307068494
Energy: 1.4762574717626158
Energy: 1.3765350953976183
Energy: 1.370202723927858
Energy: 1.2735999231552957
Energy: 1.4282656069946487
Energy: 1.3598529136986424
Energy: 1.3702027239283567
Energy: 1.2735999231552957
Energy: 1.4282656069946487
Energy: 1.3810540125426223
Energy: 1.4535353963936561
Energy: 1.376524699697038
Energy: 1.4078045578135876
Energy: 1.3810540125426223
Energy: 1.4535353963936561
Energy: 1.376524699697038
Energy: 1.466929050176928
Energy: 1.3593814448241375
Energy: 1.3573897449444425
Energy: 1.359535981487009
Energy: 1.466929050176928
Energy: 1.3593814448241375
Energy: 1.3573897449444425
Energy: 1.3806231400227504
Energy: 1.4073111068646489
Energy: 1.478755233147813
Energy: 1.4071340998679525
Energy: 1.3806231400227504
Energy: 1.4073111068646489
Energy: 1.478755233147813
Energy: 1.5394461249182623
Energy: 1.3594778029115706
Energy: 1.410209474580785
Energy: 1.3595092950106158
Energy: 1.5394461249182623
Energy: 1.3594778029115706
Energy: 1.402035678709814
Energy: 1.3498657251235455
Energy: 1.3274316824432442
Energy: 1.5340597670750469
Energy: 1.3274494209404581
Energy: 1.3498657251235455
Energy: 1.3274316824432442
Energy: 1.5340597670750469
Energy: 1.5390042286944516
Energy: 1.3615774486196426
Energy: 1.4545826678268297
Energy: 1.360357118878162
Energy: 1.5390042286944516
Energy: 1.3615774486196426
Energy: 1.4042393560020863
Energy: 1.380463383928249
Energy: 1.407077022251844
Energy: 1.4786685407140263
Energy: 1.4072798264486106
Energy: 1.380463383928249
Energy: 1.407077022251844
Energy: 1.4786685407135276
Energy: 1.4669554556951299
Energy: 1.3594739227570043
Energy: 1.4377273861116213
Energy: 1.3595723065646463
Energy: 1.4669554556951299
Energy: 1.359473922757503
Energy: 1.4505358441693164
Energy: 1.3808091146205523
Energy: 1.408117512359443
Energy: 1.3765189444181034
Energy: 1.5266233778307152
Energy: 1.3808091146205523
Energy: 1.408117512359443
Energy: 1.3765189444181034
Energy: 1.3701243378006365
Energy: 1.3599469095645698
Energy: 1.477508711062994
Energy: 1.2735258394975675
Energy: 1.3701243378006365
Energy: 1.3599469095645698
Energy: 1.4093155868605811
Energy: 1.3487243557263158
Energy: 1.4762224185927175
Energy: 1.3769071356513658
Energy: 1.476290540290285
Energy: 1.3487243557263158
Energy: 1.4762224185932162
Energy: 1.3769071356513658
Energy: 1.3703023511171126
Energy: 1.4304152106307026
Energy: 1.5232800433121618
Energy: 1.4302619690609992
Energy: 1.3703023511171126
Energy: 1.4304152106307026
Energy: 1.4736810655255017
Energy: 1.3490249307068494
Energy: 1.4762574717626158
Energy: 1.3765350953976183
Energy: 1.4762040196796005
Energy: 1.3490249307068494
Energy: 1.4762574717626158
Energy: 1.3765350953976183

minimum gb energy = 1.2735258394975675 eV
minimum distance =  2.26770958633208 Angstroms
sigma value = 21


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

Energy: 1.4647941481776163
Energy: 1.5639025647513087
Energy: 1.5430649685610582
Energy: 1.5640060018466266
Energy: 1.4647941481776163
Energy: 1.5639025647513087
Energy: 1.4881347662813251
Energy: 1.4917321054649502
Energy: 1.3911368395906505
Energy: 1.414685310305379
Energy: 1.3913355656275592
Energy: 1.4917321054649502
Energy: 1.3911368395906505
Energy: 1.414685310305379
Energy: 1.470455203382306
Energy: 1.3983122094581766
Energy: 1.364315297172097
Energy: 1.3962995354053749
Energy: 1.470455203382911
Energy: 1.3983122094581766
Energy: 1.3643152971714918
Energy: 1.471171868024037
Energy: 1.3911711524865735
Energy: 1.4691489345202513
Energy: 1.4053770605117817
Energy: 1.471171868024037
Energy: 1.3911711524865735
Energy: 1.4691489345202513
Energy: 1.3930240261085052
Energy: 1.409273934559956
Energy: 1.452044752577527
Energy: 1.44850379256939
Energy: 1.3930240261079003
Energy: 1.409273934559956
Energy: 1.452044752577527
Energy: 1.471154906132864
Energy: 1.4041450293411322
Energy: 1.4779919060782971
Energy: 1.4169474225298577
Energy: 1.471154906132864
Energy: 1.4041450293411322
Energy: 1.4779919060782971
Energy: 1.4644024307387882
Energy: 1.409077666248059
Energy: 1.452223808975277
Energy: 1.4219275179007798
Energy: 1.4644024307387882
Energy: 1.409077666248664
Energy: 1.452223808975277
Energy: 1.4638175366950334
Energy: 1.404782187454399
Energy: 1.4776136275992666
Energy: 1.4161907977541477
Energy: 1.4638175366944282
Energy: 1.404782187454399
Energy: 1.4776136275992666
Energy: 1.4643916815918423
Energy: 1.4081101723947178
Energy: 1.464422743454391
Energy: 1.4300892463489088
Energy: 1.4643916815918423
Energy: 1.4081101723947178
Energy: 1.464422743454391
Energy: 1.4502964814794068
Energy: 1.3879071871742414
Energy: 1.4212010967583983
Energy: 1.4055177787153954
Energy: 1.4502964814794068
Energy: 1.3879071871742414
Energy: 1.4212010967583983
Energy: 1.4744426389621983
Energy: 1.4676312071522615
Energy: 1.440092048279795
Energy: 1.4063494282593383
Energy: 1.4744426389621983
Energy: 1.4676312071522615
Energy: 1.440092048279795
Energy: 1.3211111469035244
Energy: 1.4481043877772721
Energy: 1.4250293048205385
Energy: 1.3515522899624053
Energy: 1.3211111469035244
Energy: 1.4481043877772721
Energy: 1.4250293048211438
Energy: 1.4749870528790558
Energy: 1.4095681472980217
Energy: 1.4244158842034111
Energy: 1.405904491088396
Energy: 1.4749870528790558
Energy: 1.4095681472980217
Energy: 1.4244158842034111
Energy: 1.3210603887090393
Energy: 1.419714056894862
Energy: 1.429228158085349
Energy: 1.3524798197748904
Energy: 1.3210603887090393
Energy: 1.419714056894862
Energy: 1.429228158085349
Energy: 1.4743419983585628
Energy: 1.3381577487469187
Energy: 1.502000753447346
Energy: 1.4009702405365554
Energy: 1.4743419983585628
Energy: 1.3381577487469187
Energy: 1.502000753447346
Energy: 1.3212117991461865
Energy: 1.4947626053581178
Energy: 1.4215721161067638
Energy: 1.4236811138137369
Energy: 1.3212117991461865
Energy: 1.4947626053581178
Energy: 1.4215721161067638
Energy: 1.4741769302858265
Energy: 1.3384870507410558
Energy: 1.5110011278033517
Energy: 1.4009589076490996
Energy: 1.4741769302858265
Energy: 1.3384870507410558
Energy: 1.5110011278033517
Energy: 1.3219741112717118
Energy: 1.4191595752462398
Energy: 1.4222639887454211
Energy: 1.4797958436976948
Energy: 1.3219741112717118
Energy: 1.4191595752462398
Energy: 1.4222639887454211
Energy: 1.4647709170281005
Energy: 1.3385499764571034
Energy: 1.5777805893767982
Energy: 1.403807830582815
Energy: 1.4647709170281005
Energy: 1.3385499764571034
Energy: 1.5777805893767982
Energy: 1.3214111164929612
Energy: 1.4649749644649568
Energy: 1.413966426597604
Energy: 1.4652334240957265
Energy: 1.3214111164929612
Energy: 1.4649749644649568
Energy: 1.413966426597604
Energy: 1.4647737548833293
Energy: 1.403671471676876
Energy: 1.578743000863612
Energy: 1.3386684919028842
Energy: 1.4647737548833293
Energy: 1.403671471676876
Energy: 1.578743000863612
Energy: 1.3220310173809375
Energy: 1.4799034816673982
Energy: 1.4222235857030538
Energy: 1.4197151195250992
Energy: 1.3220310173809375
Energy: 1.4799034816673982
Energy: 1.4222235857030538
Energy: 1.473951525213236
Energy: 1.4006556693791052
Energy: 1.4383563836844984
Energy: 1.3384130046935943
Energy: 1.473951525213236
Energy: 1.4006556693797108
Energy: 1.4383563836844984
Energy: 1.3215504705883971
Energy: 1.423554372781632
Energy: 1.4216086612460106
Energy: 1.4948184858871891
Energy: 1.3215504705883971
Energy: 1.423554372781632
Energy: 1.4216086612460106
Energy: 1.4743968798042264
Energy: 1.400499229068628
Energy: 1.468710088303893
Energy: 1.3382174571980585
Energy: 1.4743968798042264
Energy: 1.400499229068628
Energy: 1.4687100883075246

minimum gb energy = 1.3210603887090393 eV
minimum distance =  2.22550111179073 Angstroms
sigma value = 113


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

Energy: 1.4206669987959715
Energy: 1.5205208266103534
Energy: 1.4521304224357827
Energy: 1.5203441679583476
Energy: 1.4206669987959715
Energy: 1.5205208266103534
Energy: 1.4521304224357827
Energy: 1.488963187609544
Energy: 1.4455872576367583
Energy: 1.4327788782081219
Energy: 1.4446360134769505
Energy: 1.488963187609544
Energy: 1.4455872576367583
Energy: 1.4327788782081219
Energy: 1.4100015532485488
Energy: 1.4453330830698419
Energy: 1.4586647785038294
Energy: 1.4509500148866612
Energy: 1.4100015532485488
Energy: 1.4453330830698419
Energy: 1.4586647785038294
Energy: 1.3588103886034633
Energy: 1.4505217583199173
Energy: 1.3961843961075513
Energy: 1.4380011766519831
Energy: 1.3588103886034633
Energy: 1.4505217583199173
Energy: 1.3961843961075513
Energy: 1.4597352716099938
Energy: 1.3770727591000052
Energy: 1.452328471068351
Energy: 1.3831950070573733
Energy: 1.4597352716099938
Energy: 1.3770727591000052
Energy: 1.452328471068351
Energy: 1.3628116547561762
Energy: 1.4024241893364997
Energy: 1.459766171496238
Energy: 1.3955630178919844
Energy: 1.3628116547561762
Energy: 1.4024241893364997
Energy: 1.459766171496238
Energy: 1.4028753536836285
Energy: 1.3763599346887905
Energy: 1.4926664053231078
Energy: 1.3876909244203413
Energy: 1.4028753536836285
Energy: 1.3763599346887905
Energy: 1.4926664053231078
Energy: 1.3589051514676054
Energy: 1.3929026286678827
Energy: 1.4994850104237232
Energy: 1.3789030109182556
Energy: 1.3589051514676054
Energy: 1.3929026286678827
Energy: 1.4994850104237232
Energy: 1.4023526411149438
Energy: 1.3887411179155695
Energy: 1.543626237726495
Energy: 1.3755736231331046
Energy: 1.4023526411149438
Energy: 1.3887411179155695
Energy: 1.543626237726495
Energy: 1.3354104349174551
Energy: 1.3979768439635278
Energy: 1.5366440528072098
Energy: 1.3806171158749132
Energy: 1.3354104349174551
Energy: 1.3979768439635278
Energy: 1.5366440528072098
Energy: 1.4009389957824552
Energy: 1.3896727113122702
Energy: 1.5318904451716826
Energy: 1.3758732646774214
Energy: 1.4009389957824552
Energy: 1.3896727113122702
Energy: 1.5318904451716826
Energy: 1.3685959140869908
Energy: 1.3791138634543052
Energy: 1.4993797002902087
Energy: 1.4002789205136188
Energy: 1.3685959140869908
Energy: 1.3791138634543052
Energy: 1.4993797002902087
Energy: 1.4457709900325926
Energy: 1.3970505491492646
Energy: 1.5341461668833565
Energy: 1.37944736435589
Energy: 1.4457709900359708
Energy: 1.3970505491492646
Energy: 1.5341461668833565
Energy: 1.4370648188481454
Energy: 1.4555835232728704
Energy: 1.4993191282204361
Energy: 1.4523798761125908
Energy: 1.4370648188481454
Energy: 1.4555835232728704
Energy: 1.4993191282204361
Energy: 1.4457513447665182
Energy: 1.4145532880662894
Energy: 1.595549348841226
Energy: 1.4609943191516537
Energy: 1.4457513447665182
Energy: 1.4145532880662894
Energy: 1.595549348841226
Energy: 1.4371691824653519
Energy: 1.378537617341725
Energy: 1.4803912899792335
Energy: 1.4004045915297927
Energy: 1.4371691824653519
Energy: 1.378537617341725
Energy: 1.4803912899792335
Energy: 1.4946123295291105
Energy: 1.3995922699021577
Energy: 1.6773465443499895
Energy: 1.3798149096622456
Energy: 1.4946123295291105
Energy: 1.3995922699021577
Energy: 1.6773465443499895
Energy: 1.3687957442048817
Energy: 1.3622880030495133
Energy: 1.4976155015857633
Energy: 1.4125087036296091
Energy: 1.3687957442048817
Energy: 1.3622880030495133
Energy: 1.4976155015857633
Energy: 1.4938440113141276
Energy: 1.4180839795734947
Energy: 1.5220523347502617
Energy: 1.4108869017895715
Energy: 1.4938440113141276
Energy: 1.4180839795734947
Energy: 1.5220523347502617
Energy: 1.3526178106423403
Energy: 1.3763283325974593
Energy: 1.510313010511196
Energy: 1.3788610487399549
Energy: 1.3526178106423403
Energy: 1.3763283325974593
Energy: 1.510313010511196
Energy: 1.3816433839827473
Energy: 1.3823349727949752
Energy: 1.4919522736600133
Energy: 1.4337313621853212
Energy: 1.3816433839827473
Energy: 1.3823349727949752
Energy: 1.4919522736600133
Energy: 1.352177227026106
Energy: 1.3857594155542328
Energy: 1.489262548362261
Energy: 1.387469640635434
Energy: 1.352177227026106
Energy: 1.3857594155542328
Energy: 1.489262548362261
Energy: 1.3821205942648713
Energy: 1.3739394238380769
Energy: 1.4478760232696746
Energy: 1.4794776854290688
Energy: 1.3821205942648713
Energy: 1.3739394238380769
Energy: 1.4478760232696746
Energy: 1.3866438330644786
Energy: 1.384713612335531
Energy: 1.4782313574266392
Energy: 1.384643557241055
Energy: 1.3866438330644786
Energy: 1.384713612335531
Energy: 1.4782313574266392
Energy: 1.3842711953248774
Energy: 1.4607127158567856
Energy: 1.4662334657549672
Energy: 1.5344720787780306
Energy: 1.3842711953248774
Energy: 1.4607127158567856
Energy: 1.4662334657549672
Energy: 1.3896325856412803
Energy: 1.4846476698740614
Energy: 1.5554163890335893
Energy: 1.3889522447635263
Energy: 1.3896325856412803
Energy: 1.4846476698740614
Energy: 1.555416389030211
Energy: 1.478969472399309
Energy: 1.4495795591884646
Energy: 1.5308021192432375
Energy: 1.5276378242193582
Energy: 1.478969472399309
Energy: 1.4495795591884646
Energy: 1.5308021192432375
Energy: 1.3917067381779
Energy: 1.515651452176898
Energy: 1.5661487509740544
Energy: 1.481080849641997
Energy: 1.3917067381779
Energy: 1.515651452176898
Energy: 1.5661487509740544
Energy: 1.4776936425291929
Energy: 1.4280740428015453
Energy: 1.4137587216818186
Energy: 1.5284853825170748
Energy: 1.4776936425291929
Energy: 1.4280740428015453
Energy: 1.4137587216818186
Energy: 1.39202096086364
Energy: 1.4415727612438305
Energy: 1.555078115715446
Energy: 1.4150183148689117
Energy: 1.39202096086364
Energy: 1.4415727612438305
Energy: 1.555078115715446
Energy: 1.4135805203476832
Energy: 1.4281755798981282
Energy: 1.547106969358104
Energy: 1.5346350823557895
Energy: 1.4135805203476832
Energy: 1.4281755798981282
Energy: 1.547106969358104
Energy: 1.392867705285216
Energy: 1.382012166865399
Energy: 1.4782934164612174
Energy: 1.3890293851696836
Energy: 1.392867705285216
Energy: 1.382012166865399
Energy: 1.4782934164612174
Energy: 1.4135991452617012
Energy: 1.384800693822653
Energy: 1.4454617549948772
Energy: 1.471254894904249
Energy: 1.4135991452650796
Energy: 1.384800693822653
Energy: 1.4454617549948772
Energy: 1.3864245888592668
Energy: 1.3811444799509731
Energy: 1.4716399881167446
Energy: 1.388825709431467
Energy: 1.3864245888592668
Energy: 1.3811444799509731
Energy: 1.4716399881167446
Energy: 1.3979017535435267
Energy: 1.3735112825653104
Energy: 1.5305880224550248
Energy: 1.4668306739884038
Energy: 1.3979017535435267
Energy: 1.3735112825653104
Energy: 1.5305880224550248
Energy: 1.3861985635165877
Energy: 1.3998035334957206
Energy: 1.4754876348457788
Energy: 1.3664674188102355
Energy: 1.3861985635165877
Energy: 1.3998035334957206
Energy: 1.4754876348457788
Energy: 1.390585493338842
Energy: 1.3879258817463553
Energy: 1.4535664081575148
Energy: 1.447096432062371
Energy: 1.390585493338842
Energy: 1.3879258817463553
Energy: 1.4535664081575148
Energy: 1.385236445644063
Energy: 1.3895941026104235
Energy: 1.4672769095419225
Energy: 1.3667349814329388
Energy: 1.385236445644063
Energy: 1.3895941026104235
Energy: 1.4672769095419225
Energy: 1.390225164572472
Energy: 1.446251864128184
Energy: 1.5270993667459156
Energy: 1.4729700271993096
Energy: 1.390225164572472
Energy: 1.446251864128184
Energy: 1.5270993667459156
Energy: 1.3848891969977781
Energy: 1.453209973451746
Energy: 1.469557618035707
Energy: 1.4259901821493008
Energy: 1.3848891969977781
Energy: 1.453209973451746
Energy: 1.469557618035707
Energy: 1.5010529854918715
Energy: 1.458424388145777
Energy: 1.502498287552452
Energy: 1.4723385409738836
Energy: 1.5010529854918715
Energy: 1.458424388145777
Energy: 1.502498287552452
Energy: 1.3853327676179263
Energy: 1.4427926469927213
Energy: 1.6530487253522066
Energy: 1.4603751872113357
Energy: 1.3853327676179263
Energy: 1.4427926469927213
Energy: 1.6530487253522066
Energy: 1.445221638570691
Energy: 1.4586516727926488
Energy: 1.5019759072349306
Energy: 1.4894292477740334
Energy: 1.4452216385673131
Energy: 1.4586516727926488
Energy: 1.5019759072349306
Energy: 1.4120602449677488
Energy: 1.4225475569597235
Energy: 1.6354371873692715
Energy: 1.3803206832889547
Energy: 1.4120602449677488
Energy: 1.4225475569597235
Energy: 1.6354371873692715
Energy: 1.3693908334106795
Energy: 1.4512424516952513
Energy: 1.4677583852638856
Energy: 1.49585251088134
Energy: 1.3693908334106795
Energy: 1.4512424516952513
Energy: 1.4677583852638856

minimum gb energy = 1.3354104349174551 eV
minimum distance =  2.2156444184588 Angstroms
sigma value = 365


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

Energy: 1.3953517628400138
Energy: 1.208937420515105
Energy: 1.5800191488122404
Energy: 1.2089374205158665
Energy: 1.3953517628400138
Energy: 1.2089374205219598
Energy: 1.3477564319787567
Energy: 1.3953517628400138
Energy: 1.2089374205554717
Energy: 1.4300462771506492
Energy: 1.2089374205204364
Energy: 1.3953517628400138
Energy: 1.2089374205143435
Energy: 1.3477564319787567
Energy: 1.3953517628400138
Energy: 1.2089374205303378
Energy: 1.6335994223278207
Energy: 1.2089374205417622
Energy: 1.3953517628400138
Energy: 1.2089374205691465
Energy: 1.5800191488145252
Energy: 1.3953517628400138
Energy: 1.2089374207671026
Energy: 1.6335994223278207
Energy: 1.2089374205143435
Energy: 1.3953517628400138
Energy: 1.20893742051282
Energy: 1.430046277153696
Energy: 1.3953517628400138
Energy: 1.2089374205668615
Energy: 1.580019148813002
Energy: 1.2089374205204364
Energy: 1.3953517628400138
Energy: 1.2089374205219598
Energy: 1.3477564319795186
Energy: 1.3953517628400138
Energy: 1.208937420542524
Energy: 1.6335994223278207
Energy: 1.2089374205356693
Energy: 1.3953517628400138
Energy: 1.2089374205135817
Energy: 1.6335994223278207
Energy: 1.3953517628400138
Energy: 1.208937420515105
Energy: 1.580019148813002
Energy: 1.208937420515105
Energy: 1.3953517628400138
Energy: 1.20893742051282
Energy: 1.4300462771544573
Energy: 1.3953517628400138
Energy: 1.208937420529576
Energy: 1.580019148813002
Energy: 1.2089374205935188
Energy: 1.3953517628400138
Energy: 1.2089374205211982
Energy: 1.3477564319795186
Energy: 1.3953517628400138
Energy: 1.2089374205204364
Energy: 1.6335994223278207
Energy: 1.2089374205379542
Energy: 1.3953517628400138
Energy: 1.2089374205166283
Energy: 1.6335994223278207
Energy: 1.3953517628400138
Energy: 1.208937420548617
Energy: 1.6335994223278207
Energy: 1.2089374205181513
Energy: 1.3953517628400138
Energy: 1.208937420544047
Energy: 1.3477564319795186
Energy: 1.3953517628400138
Energy: 1.2089374206087515
Energy: 1.5800191488137636
Energy: 1.208937420515105
Energy: 1.3953517628400138
Energy: 1.2089374205242447
Energy: 1.3477564319787567
Energy: 1.3953517628400138
Energy: 1.20893742051739
Energy: 1.5800191488091937
Energy: 1.2089374205310994
Energy: 1.3953517628400138
Energy: 1.2089374205196748
Energy: 1.6335994223285824
Energy: 1.3953517628400138
Energy: 1.2089374205211982
Energy: 1.6335994223278207
Energy: 1.208937420528053
Energy: 1.3953517628400138
Energy: 1.2089374205622918
Energy: 1.4300462771559808
Energy: 1.3953517628400138
Energy: 1.2089374205410006
Energy: 1.6335994223278207
Energy: 1.2089374205189132
Energy: 1.3953517628400138
Energy: 1.2089374205432855
Energy: 1.3477564319795186
Energy: 1.3953517628400138
Energy: 1.2089374205699082
Energy: 1.5800191488084323
Energy: 1.2089374205265295
Energy: 1.3953517628400138
Energy: 1.2089374205181513
Energy: 1.6335994223278207
Energy: 1.3953517628400138
Energy: 1.2089374205387156
Energy: 1.6335994223278207
Energy: 1.2089374205227212
Energy: 1.3953517628400138
Energy: 1.20893742051739
Energy: 1.5093680025225176
Energy: 1.3953517628400138
Energy: 1.2089374205387156
Energy: 1.5800191488084323
Energy: 1.2089374205333843
Energy: 1.3953517628400138
Energy: 1.208937420595042
Energy: 1.4300462771567422
Energy: 1.3953517628400138
Energy: 1.208937420515105
Energy: 1.5093680025209946
Energy: 1.2089374206110364
Energy: 1.3953517628400138
Energy: 1.208937420591234
Energy: 1.6335994223285824
Energy: 1.3953517628400138
Energy: 1.2089374205531869
Energy: 1.6335994223285824
Energy: 1.208937420525768
Energy: 1.3953517628400138
Energy: 1.20893742051739
Energy: 1.5086432025367318
Energy: 1.3953517628400138
Energy: 1.2089374205189132
Energy: 1.5093680025209946
Energy: 1.20893742051739
Energy: 1.3953517628400138
Energy: 1.208937420529576
Energy: 1.5093680025225176

minimum gb energy = 1.20893742051282 eV
minimum distance =  2.23317076580013 Angstroms
sigma value = 23