Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535640519527
mass=95.95
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: 0.021303041381570867
Energy: 0.36974565601074544
Energy: 0.021303041381570867
Energy: 0.36974565601040743
Energy: 0.021303041381570867
Energy: 0.36974565601435055
Energy: 0.021303041381570867
Energy: 0.02313285587742583
Energy: 0.7354357092797154
Energy: 0.023132855877763807
Energy: 0.7354357092797154
Energy: 0.023132855878101783
Energy: 0.7354357092793774
Energy: 0.023132855877763807
Energy: 1.8999687526467108
Energy: 0.6977129199611432
Energy: 2.3141338879261832
Energy: 0.6977129199611432
Energy: 0.021621135814272937
Energy: 0.6977129199614436
Energy: 0.021621135815249316
Energy: 0.023132855878101783
Energy: 0.7354357092800533
Energy: 0.023132855877763807
Energy: 0.7354357092797154
Energy: 0.023132855878101783
Energy: 0.7354357092790395
Energy: 0.023132855878101783
Energy: 0.021303041381570867
Energy: 0.3697456560117218
Energy: 0.021303041381570867
Energy: 0.36974565601405013
Energy: 0.021303041381570867
Energy: 0.36974565601074544
Energy: 0.021303041381570867
Energy: 0.023132855878101783
Energy: 0.7354357092797154
Energy: 0.023132855877763807
Energy: 0.7354357092800533
Energy: 0.02313285587843976
Energy: 0.7354357092797154
Energy: 0.023132855877763807

minimum gb energy = 0.021303041381570867 eV
minimum distance =  2.71888025555914 Angstroms
sigma value = 5


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

Energy: 2.133284106278044
Energy: 2.1188419022752543
Energy: 2.133284106282081
Energy: 2.1188419022792915
Energy: 2.133284106278044
Energy: 2.1188419022792915
Energy: 2.133284106282081
Energy: 2.06404148438846
Energy: 2.050236656979507
Energy: 2.06404148438846
Energy: 2.05023665697547
Energy: 2.06404148438846
Energy: 2.05023665697547
Energy: 2.06404148438846
Energy: 1.899349780677232
Energy: 1.9774997903527969
Energy: 1.899349780677232
Energy: 1.9774997903527969
Energy: 1.899349780677232
Energy: 1.9774997903527969
Energy: 1.899349780677232
Energy: 1.9300684370305532
Energy: 2.035555113879156
Energy: 1.9300684370305532
Energy: 2.0355551138751187
Energy: 1.9300684370305532
Energy: 2.035555113879156
Energy: 1.9300684370305532
Energy: 1.9156129666702175
Energy: 2.041466143402001
Energy: 1.9156129666702175
Energy: 2.0414661434060384
Energy: 1.91561296666618
Energy: 2.041466143402001
Energy: 1.9156129666702175
Energy: 2.0782165519342772
Energy: 2.0658923413614776
Energy: 2.0782165519302405
Energy: 2.0658923413614776
Energy: 2.0782165519342772
Energy: 2.0658923413614776
Energy: 2.0782165519302405
Energy: 2.014930590291945
Energy: 2.0410036543176644
Energy: 2.014930590291945
Energy: 2.0410036543176644
Energy: 2.014930590291945
Energy: 2.0410036543176644
Energy: 2.014930590291945
Energy: 1.9695061780861565
Energy: 2.0434087124732003
Energy: 1.9695061780861565
Energy: 2.0434087124732003
Energy: 1.9695061780861565
Energy: 2.0434087124732003
Energy: 1.9695061780861565
Energy: 1.9580433925304184
Energy: 2.042748137073279
Energy: 1.9580433925263812
Energy: 2.042748137073279
Energy: 1.9580433925304184
Energy: 2.042748137073279
Energy: 1.9580433925263812
Energy: 1.9323262960887662
Energy: 1.9000201427578336
Energy: 1.9323262960847292
Energy: 1.9000201427578336
Energy: 1.9323262960887662
Energy: 1.9000201427578336
Energy: 1.9323262960847292
Energy: 1.9694004634508429
Energy: 1.9964798590845168
Energy: 1.9694004634508429
Energy: 1.9964798590804793
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Energy: 1.9964798590845168
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Energy: 1.9902407750355413
Energy: 1.993813541548296
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Energy: 1.993813541548296
Energy: 1.9902407750355413
Energy: 1.9938135415442586
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Energy: 2.094882221526346
Energy: 1.969664962421634
Energy: 2.094882221530383
Energy: 1.969664962421634
Energy: 2.094882221530383
Energy: 1.969664962421634
Energy: 1.9599349588422827
Energy: 2.0179900507425628
Energy: 1.9599349588422827
Energy: 2.0179900507425628
Energy: 1.9599349588422827
Energy: 2.0179900507425628
Energy: 1.9599349588422827
Energy: 2.0029453310859173
Energy: 2.021864588688961
Energy: 2.0029453310859173
Energy: 2.021864588688961
Energy: 2.0029453310859173
Energy: 2.0218645886929987
Energy: 2.0029453310859173
Energy: 1.8990923276932583
Energy: 1.9955802489439174
Energy: 1.8990923276932583
Energy: 1.9955802489439174
Energy: 1.8990923276932583
Energy: 1.9955802489439174
Energy: 1.8990923276932583
Energy: 2.0849598920251
Energy: 2.0913352965989565
Energy: 2.0849598920251
Energy: 2.0913352966029937
Energy: 2.0849598920251
Energy: 2.0913352965989565
Energy: 2.0849598920251
Energy: 1.9201581007530073
Energy: 2.0127899434702257
Energy: 1.9201581007530073
Energy: 2.0127899434702257
Energy: 1.9201581007530073
Energy: 2.0127899434702257
Energy: 1.9201581007530073
Energy: 2.0274665910493326
Energy: 1.9685647734897331
Energy: 2.0274665910533702
Energy: 1.9685647734937706
Energy: 2.0274665910493326
Energy: 1.9685647734897331
Energy: 2.0274665910533702
Energy: 2.0198396095823523
Energy: 1.9815933536176886
Energy: 2.019839609578315
Energy: 1.9815933536136512
Energy: 2.0198396095823523
Energy: 1.9815933536176886
Energy: 2.019839609578315
Energy: 1.9612446795389902
Energy: 1.908802116203908
Energy: 1.9612446795389902
Energy: 1.908802116199871
Energy: 1.9612446795389902
Energy: 1.908802116203908
Energy: 1.9612446795389902
Energy: 1.9474448408348264
Energy: 1.892574250715111
Energy: 1.9474448408388636
Energy: 1.892574250715111
Energy: 1.9474448408388636
Energy: 1.892574250715111
Energy: 1.9474448408348264
Energy: 1.961038036008125
Energy: 2.01131689397956
Energy: 1.961038036008125
Energy: 2.01131689397956
Energy: 1.961038036008125
Energy: 2.01131689397956
Energy: 1.961038036008125
Energy: 1.9639771173697018
Energy: 2.0316639747312415
Energy: 1.9639771173697018
Energy: 2.0316639747312415
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Energy: 2.0316639747312415
Energy: 1.9639771173697018
Energy: 2.014565832416767
Energy: 2.0729908741235836
Energy: 2.0145658324208044
Energy: 2.0729908741235836
Energy: 2.0145658324208044
Energy: 2.0729908741235836
Energy: 2.0145658324208044
Energy: 2.1638804340158684
Energy: 2.1347796703430975
Energy: 2.1638804340158684
Energy: 2.1347796703470614
Energy: 2.1638804340158684
Energy: 2.1347796703430975
Energy: 2.1638804340158684
Energy: 1.9047278639841068
Energy: 2.052799375083755
Energy: 1.9047278639841068
Energy: 2.052799375083755
Energy: 1.9047278639881442
Energy: 2.052799375083755
Energy: 1.9047278639841068
Energy: 2.1300790898818405
Energy: 2.047196676247557
Energy: 2.1300790898818405
Energy: 2.047196676247557
Energy: 2.1300790898778033
Energy: 2.047196676247557
Energy: 2.1300790898818405
Energy: 1.9022462040448251
Energy: 1.9657458106230126
Energy: 1.9022462040448251
Energy: 1.9657458106230126
Energy: 1.9022462040488626
Energy: 1.9657458106230126
Energy: 1.9022462040448251
Energy: 2.0260760120008876
Energy: 2.1074842545270234
Energy: 2.026076012004925
Energy: 2.10748425453106
Energy: 2.0260760120008876
Energy: 2.1074842545270234
Energy: 2.026076012004925
Energy: 1.9653548781747017
Energy: 2.142823792011763
Energy: 1.9653548781787387
Energy: 2.142823792007726
Energy: 1.9653548781787387
Energy: 2.142823792011763
Energy: 2.0273650140496926
Energy: 2.058482668230912
Energy: 1.9507595228641372
Energy: 2.0584826682349497
Energy: 1.9507595228641372
Energy: 2.058482668230912
Energy: 1.9507595228641372
Energy: 2.0584826682349497
Energy: 1.9225346962224281
Energy: 1.9528762198720468
Energy: 1.9225346962183907
Energy: 1.9528762198760838
Energy: 1.9225346962224281
Energy: 1.9528762198720468
Energy: 1.9225346962183907
Energy: 1.9029792195984274
Energy: 2.0573512407365184
Energy: 1.9029792195984274
Energy: 2.0573512407365184
Energy: 1.9029792195984274
Energy: 2.0573512407365184
Energy: 1.90297921959439
Energy: 1.9385556024384056
Energy: 2.0447826177589628
Energy: 1.938555602442443
Energy: 2.0447826177589628
Energy: 1.9385556024384056
Energy: 2.0447826177589628
Energy: 1.938555602442443
Energy: 2.0214101159933016
Energy: 2.0447633686807634
Energy: 2.0214101159933016
Energy: 2.0447633686807634
Energy: 2.0214101159933016
Energy: 2.0447633686807634
Energy: 2.0214101159933016
Energy: 2.160433416403273
Energy: 2.134466579369346
Energy: 2.1604334164073102
Energy: 2.134466579373383
Energy: 2.160433416403273
Energy: 2.134466579369346
Energy: 2.160433416403273
Energy: 1.957048966066628
Energy: 2.0461290854510716
Energy: 1.957048966066628
Energy: 2.0461290854510716
Energy: 1.957048966066628
Energy: 2.0461290854510716
Energy: 1.957048966066628
Energy: 1.9722886416827783
Energy: 2.0406296642267976
Energy: 1.9722886416868157
Energy: 2.0406296642227604
Energy: 1.9722886416827783
Energy: 2.0406296642267976
Energy: 1.9722886416868157
Energy: 1.9052948703741917
Energy: 1.9253652110103812
Energy: 1.9052948703741917
Energy: 1.9253652110063437
Energy: 1.9052948703741917
Energy: 1.9253652110063437
Energy: 1.9052948703741917
Energy: 2.095905102255944
Energy: 1.9987897294677166
Energy: 2.095905102255944
Energy: 1.998789729471754
Energy: 2.095905102251906
Energy: 1.9987897294677166
Energy: 2.095905102255944
Energy: 1.9953440141425691
Energy: 1.988141206452304
Energy: 1.9953440141425691
Energy: 1.988141206452304
Energy: 1.9953440141425691
Energy: 1.988141206452304
Energy: 1.9953440141425691
Energy: 2.085496817669205
Energy: 2.0577251808032972
Energy: 2.085496817669205
Energy: 2.0577251808032972
Energy: 2.085496817669205
Energy: 2.0577251808032972
Energy: 2.085496817669205
Energy: 1.9337774004951211
Energy: 2.0075701040363882
Energy: 1.9337774004951211
Energy: 2.0075701040404255
Energy: 1.9337774004951211
Energy: 2.0075701040363882
Energy: 1.9337774004951211
Energy: 1.9028671256898453
Energy: 2.025424728993559
Energy: 1.9028671256898453
Energy: 2.025424728993559
Energy: 1.9028671256898453
Energy: 2.025424728993559
Energy: 1.9028671256898453
Energy: 1.9166616049985716
Energy: 2.028640246154777
Energy: 1.9166616049985716
Energy: 2.028640246154777
Energy: 1.9166616049985716
Energy: 2.028640246154777
Energy: 1.9166616049985716
Energy: 1.9364137613050265
Energy: 2.001719288934087
Energy: 1.9364137613009893
Energy: 2.001719288934087
Energy: 1.9364137613050265
Energy: 2.001719288934087
Energy: 1.9364137613009893

minimum gb energy = 1.892574250715111 eV
minimum distance =  2.48239630490035 Angstroms
sigma value = 401


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

Energy: 2.1440082312370765
Energy: 2.1873419929834474
Energy: 2.144008231236577
Energy: 2.187341992984364
Energy: 2.144008231236577
Energy: 2.1873419929834474
Energy: 2.144008231236577
Energy: 2.032187596883635
Energy: 2.054850511052034
Energy: 2.0321875968823013
Energy: 2.0548505110502018
Energy: 2.0321875968832175
Energy: 2.054850511052034
Energy: 2.0321875968827183
Energy: 2.009774169107567
Energy: 1.9927645105329639
Energy: 2.0097741691079833
Energy: 1.9927645105324643
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Energy: 1.9927645105324643
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Energy: 1.9310092073560885
Energy: 2.060308950376153
Energy: 1.931009207355172
Energy: 2.0603089503752363
Energy: 1.9310092073560885
Energy: 2.060308950375737
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Energy: 1.9599921615788995
Energy: 2.0397358123544285
Energy: 1.9599921615798162
Energy: 2.0397358123544285
Energy: 1.9599921615784828
Energy: 2.039735812353929
Energy: 1.959992161580316
Energy: 2.0275085942859685
Energy: 2.107792012931168
Energy: 2.027508594285468
Energy: 2.107792012931168
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Energy: 2.0436494868653257
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Energy: 2.0436494868662427
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Energy: 2.0180650441631163
Energy: 2.1074850577899
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Energy: 2.0180650441622
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Energy: 2.067362672151369
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Energy: 1.9842117040357232
Energy: 2.0025982862975
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Energy: 2.002598286298417
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Energy: 2.002598286297917
Energy: 1.9842117040371399
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Energy: 2.070481630541888
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Energy: 2.1322062460398787
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Energy: 2.1322062460394626
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Energy: 2.1322062460394626
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Energy: 1.9635149002111425
Energy: 2.042078070216125
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Energy: 2.049248457669244
Energy: 1.9310092073560885
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Energy: 2.0399407665620197
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Energy: 2.1072478192255053
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Energy: 2.033001607352636
Energy: 2.107247819226422
Energy: 2.033001607352636
Energy: 1.9723469011050747
Energy: 2.0396538790096734
Energy: 1.9723469011037418
Energy: 2.039653879010173
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Energy: 2.039653879010173
Energy: 1.9723469011032417
Energy: 1.9309966799359126
Energy: 2.067362672151369
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Energy: 2.067362672152285
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Energy: 2.0673626721509524
Energy: 1.9309966799364127
Energy: 1.9842117040362233
Energy: 2.0025982862988334
Energy: 1.9842117040371399
Energy: 2.0025982862988334
Energy: 1.9842117040362233
Energy: 2.0025982862993335
Energy: 1.9842117040371399
Energy: 2.0864420123138068
Energy: 1.9981377820409878
Energy: 2.08644201231289
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Energy: 2.0864420123143064
Energy: 1.9981377820409878
Energy: 2.08644201231289
Energy: 2.14400823123616
Energy: 2.187341992984364
Energy: 2.1440082312384097
Energy: 2.187341992984364
Energy: 2.144008231237993
Energy: 2.1873419929839475
Energy: 2.1440082312411595
Energy: 2.0321875968823013
Energy: 2.054850511052451
Energy: 2.0321875968823013
Energy: 2.0548505110502018
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Energy: 2.054850511052451
Energy: 2.0321875968832175
Energy: 2.009774169107567
Energy: 1.9927645105324643
Energy: 2.009774169107567
Energy: 1.9927645105338805
Energy: 2.0097741691079833
Energy: 1.9927645105329639
Energy: 2.009774169107567
Energy: 1.931009207357505
Energy: 2.0603089503752363
Energy: 1.9310092073565885
Energy: 2.060308950375737
Energy: 1.9310092073570049
Energy: 2.0603089503752363
Energy: 1.9310092073570049
Energy: 1.9599921615793992
Energy: 2.0397358123544285
Energy: 1.9599921615793992
Energy: 2.0397358123548455
Energy: 1.9599921615788995
Energy: 2.0397358123544285
Energy: 1.9599921615793992
Energy: 2.0275085942850515
Energy: 2.107792012932084
Energy: 2.027508594285468
Energy: 2.107792012930751
Energy: 2.0275085942850515
Energy: 2.107792012932084
Energy: 2.027508594285468
Energy: 2.043649486865742
Energy: 2.1075145234358597
Energy: 2.0436494868671593
Energy: 2.107514523434526
Energy: 2.0436494868653257
Energy: 2.1075145234363593
Energy: 2.0436494868671593
Energy: 2.0180650441612835
Energy: 2.1074850577904
Energy: 2.018065044158034
Energy: 2.1074850577899
Energy: 2.0180650441607835
Energy: 2.1074850577904
Energy: 2.0180650441585337
Energy: 2.039179952654868
Energy: 2.1070310566166524
Energy: 2.0391799526539516
Energy: 2.1070310566179855
Energy: 2.039179952654868
Energy: 2.107031056617069
Energy: 2.039179952653451
Energy: 1.971610823097973
Energy: 2.0396538790096734
Energy: 1.9716108230988891
Energy: 2.0396538790096734
Energy: 1.9716108230984726
Energy: 2.039653879009257
Energy: 1.9716108230984726
Energy: 1.931792374810268
Energy: 2.0673626721509524
Energy: 1.9317923748106847
Energy: 2.067362672151369
Energy: 1.931792374810268
Energy: 2.0673626721509524
Energy: 1.931792374810268
Energy: 1.9842117040357232
Energy: 2.002598286297917
Energy: 1.9842117040371399
Energy: 2.0025982862993335
Energy: 1.9842117040357232
Energy: 2.0025982862993335
Energy: 1.9842117040362233
Energy: 2.0704816305428047
Energy: 1.9981377820400712
Energy: 2.0704816305413885
Energy: 1.9981377820400712
Energy: 2.070481630543221
Energy: 1.9981377820395714
Energy: 2.0704816305413885
Energy: 2.1323983417452337
Energy: 2.132206246040796
Energy: 2.132398341745734
Energy: 2.1322062460403792
Energy: 2.1323983417503167
Energy: 2.132206246040796
Energy: 2.1323983417475665
Energy: 1.963514900212559
Energy: 2.042078070215709
Energy: 1.9635149002134753
Energy: 2.042078070216125
Energy: 1.963514900212559
Energy: 2.042078070215709
Energy: 1.9635149002134753

minimum gb energy = 1.9309966799359126 eV
minimum distance =  2.51316910037297 Angstroms
sigma value = 311


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

Energy: 2.092293231935204
Energy: 2.184624331307959
Energy: 1.9971817677539785
Energy: 2.063297966249501
Energy: 2.092293231935204
Energy: 2.1846243313084885
Energy: 1.9971817677545074
Energy: 2.0544768367514936
Energy: 2.0307020434945513
Energy: 2.0602608085915937
Energy: 2.031736036884645
Energy: 2.054476836752552
Energy: 2.030702043494023
Energy: 2.0602608085926524
Energy: 2.0462222093825875
Energy: 2.078046331779209
Energy: 2.0462612715874027
Energy: 2.074305067840564
Energy: 2.0462222093831164
Energy: 2.078046331779209
Energy: 2.0462612715874027
Energy: 2.2448848651139155
Energy: 2.115386001030728
Energy: 2.186897779674813
Energy: 2.115386001030728
Energy: 2.244884865114974
Energy: 2.1153860010312577
Energy: 2.1868977796753417
Energy: 2.1781157750865736
Energy: 2.1190226053030172
Energy: 2.1782024167767777
Energy: 2.119022605304075
Energy: 2.1781157750855153
Energy: 2.119022605304075
Energy: 2.1782024167762484
Energy: 1.9829573025114666
Energy: 2.228704327791908
Energy: 1.9829573025114666
Energy: 2.217069615069887
Energy: 1.9829573025114666
Energy: 2.228704327792966
Energy: 1.9829573025109373
Energy: 1.9530514830629928
Energy: 2.168972239123884
Energy: 1.9530514830629928
Energy: 2.1724133251435043
Energy: 1.9530514830640513
Energy: 2.1689722391244124
Energy: 1.953051483063522
Energy: 2.118823349058257
Energy: 2.1344571761654176
Energy: 2.237442926484098
Energy: 2.1344571761654176
Energy: 2.118823349058786
Energy: 2.134457176165947
Energy: 2.2374429264825113
Energy: 2.1595725144141547
Energy: 2.1227288319890762
Energy: 2.2996027892200974
Energy: 2.1227288319896056
Energy: 2.1595725144136257
Energy: 2.1227288319890762
Energy: 2.2996027892200974
Energy: 2.0420390746552592
Energy: 2.1755179611808177
Energy: 2.0086337069053655
Energy: 2.1756090424948917
Energy: 2.04203907465473
Energy: 2.1755179611797595
Energy: 2.008633706904837
Energy: 2.042519917301502
Energy: 2.180100558546407
Energy: 2.027797124566542
Energy: 2.180085479460264
Energy: 2.042519917303089
Energy: 2.180100558546936
Energy: 2.0277971245633672
Energy: 2.164137574828517
Energy: 2.1213416398035805
Energy: 2.164137574827988
Energy: 2.1209926079471133
Energy: 2.164137574827988
Energy: 2.1213416398025227
Energy: 2.164137574827988
Energy: 2.1513742762304013
Energy: 2.065978485284245
Energy: 2.1513742762309307
Energy: 2.0659784852858327
Energy: 2.1513742762309307
Energy: 2.065978485284774
Energy: 2.1513742762304013
Energy: 1.9951984993515548
Energy: 2.009556865148545
Energy: 1.9951984993510254
Energy: 2.0095568651480162
Energy: 1.9951984993510254
Energy: 2.009556865149604
Energy: 1.9951984993510254
Energy: 2.091040596218736
Energy: 2.1688014128410233
Energy: 2.091040596218736
Energy: 2.1688168437525173
Energy: 2.091040596218736
Energy: 2.168801412839965
Energy: 2.091040596219265
Energy: 2.0056013133436874
Energy: 2.0745006577401326
Energy: 2.0056013133431576
Energy: 2.0745006577406615
Energy: 2.0056013133431576
Energy: 2.0745006577390743
Energy: 2.0056013133431576
Energy: 2.080827045615987
Energy: 2.0261081002877352
Energy: 2.0811094608991216
Energy: 2.0261453571566315
Energy: 2.080827045615458
Energy: 2.026108100287206
Energy: 2.0811094608985923
Energy: 2.0369063334709576
Energy: 2.1356886375705613
Energy: 2.037040114034896
Energy: 2.126677344737474
Energy: 2.036906333471486
Energy: 2.135688637571091
Energy: 2.0370401140333083
Energy: 2.187164956304561
Energy: 2.2521022993296578
Energy: 2.1199526831957427
Energy: 2.257386308727689
Energy: 2.1199526831952133
Energy: 2.252102299329128
Energy: 2.119952683194684
Energy: 2.152370326553182
Energy: 2.275244362972451
Energy: 2.1521869799032682
Energy: 2.268693121234534
Energy: 2.1523703265537115
Energy: 2.2752443629719212
Energy: 2.1521869799043265
Energy: 1.9743746031274838
Energy: 1.991859369953713
Energy: 1.9743746031274838
Energy: 1.991859369954242
Energy: 1.9743746031269545
Energy: 1.991859369954242
Energy: 1.9743746031269545
Energy: 1.992961399856352
Energy: 2.1407637636418873
Energy: 1.9929613998568814
Energy: 2.142321820731266
Energy: 1.992961399856352
Energy: 2.1407637636429455
Energy: 1.9929613998568814
Energy: 2.2262443482231316
Energy: 2.075207422531441
Energy: 2.2049149101874166
Energy: 2.047467029763239
Energy: 2.1998194449967605
Energy: 2.075207422530383
Energy: 2.09456660242294
Energy: 2.2266794221573574
Energy: 2.185604801033178
Energy: 2.1414711342274915
Energy: 2.141676451296582
Energy: 2.2266794221584156
Energy: 2.18560480103212
Energy: 2.141471134226963
Energy: 2.088869812506269
Energy: 2.0559601805557626
Energy: 2.0886036865614277
Energy: 2.0559053590315677
Energy: 2.088869812507327
Energy: 2.0559601805552337
Energy: 2.088603686562486
Energy: 2.216990183354113
Energy: 2.1273696496953414
Energy: 2.2170521908653567
Energy: 2.127922947227482
Energy: 2.2169901833535834
Energy: 2.1273696496942835
Energy: 2.2170521908642984
Energy: 2.132200468035897
Energy: 2.1163130550022218
Energy: 2.2628118203199676
Energy: 2.1163130550022218
Energy: 2.127576273151746
Energy: 2.1163130550022218
Energy: 2.1275956414969106
Energy: 2.083166659277143
Energy: 2.2044096679252765
Energy: 2.083166659277143
Energy: 2.200608462551499
Energy: 2.0831666592766136
Energy: 2.204409667842245
Energy: 2.0831666592766136
Energy: 2.0106731716801685
Energy: 2.005179352360248
Energy: 2.0106731716801685
Energy: 2.0051793523597192
Energy: 2.010673171680698
Energy: 2.005179352360248
Energy: 2.0106731716801685
Energy: 2.1414887322325673
Energy: 2.1558525128931074
Energy: 2.2162362777907476
Energy: 2.060006760002274
Energy: 2.141488732232039
Energy: 2.1558525128931074
Energy: 2.2162362777902183
Energy: 2.029260769760858
Energy: 2.1207149775851284
Energy: 2.2406272138556953
Energy: 2.120714977585658
Energy: 2.0657003788581516
Energy: 2.120714977585658
Energy: 2.1842926582650555
Energy: 2.049974553452359
Energy: 2.168820225490065
Energy: 2.0426566161407522
Energy: 2.168974014801413
Energy: 2.049974553452359
Energy: 2.168820225490065
Energy: 2.0426566161402233
Energy: 2.0330361536263135
Energy: 2.058993231619353
Energy: 2.0587448201503844
Energy: 2.0592583639253044
Energy: 2.0330361536268424
Energy: 2.058993231619353
Energy: 2.0587448201503844
Energy: 2.1688522506478676
Energy: 2.2549661280742224
Energy: 2.1688522506473378
Energy: 2.257245585175393
Energy: 2.1688522506478676
Energy: 2.2549661280747513
Energy: 2.168852250648396
Energy: 2.135523742182204
Energy: 2.236369012699073
Energy: 2.135363401521716
Energy: 2.236154529910818
Energy: 2.2271441983501354
Energy: 2.2363690126985443
Energy: 2.236301325105489
Energy: 1.9768052687559083
Energy: 2.0030744743854494
Energy: 1.976805268755379
Energy: 2.0030744743838618
Energy: 1.9768052687548499
Energy: 2.0030744743854494
Energy: 1.976805268754321

minimum gb energy = 1.9530514830629928 eV
minimum distance =  2.46810104159888 Angstroms
sigma value = 39


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

Energy: 1.9927077106952429
Energy: 2.064568037604577
Energy: 1.9927077106946183
Energy: 2.0645680376033284
Energy: 1.9927077106946183
Energy: 2.0645680376039532
Energy: 1.9927077106952429
Energy: 1.931340254515904
Energy: 1.8721064066353268
Energy: 1.9313402545165284
Energy: 1.8721064066353268
Energy: 1.9313402545152791
Energy: 1.8721064066353268
Energy: 1.9313402545165284
Energy: 1.9697439156126728
Energy: 1.9034112872090345
Energy: 1.9697439156132972
Energy: 1.9034112872102267
Energy: 1.9697439156132972
Energy: 1.9034112872102267
Energy: 1.9697439156132972
Energy: 2.1443937608017576
Energy: 1.8528907184147345
Energy: 2.1443937608011328
Energy: 1.8528907184159835
Energy: 2.1443937608005084
Energy: 1.8528907184141101
Energy: 2.1443937608005084
Energy: 1.9435991242358122
Energy: 1.8949697396209495
Energy: 1.9435991242364365
Energy: 1.894969739620325
Energy: 1.943599124234563
Energy: 1.8949697396228233
Energy: 1.9435991242358122
Energy: 2.0111837157691728
Energy: 1.9084619947170571
Energy: 2.011183715769797
Energy: 1.908461994717682
Energy: 2.0111837157710464
Energy: 1.9084619947170571
Energy: 2.0111837157691728
Energy: 2.185658978634618
Energy: 1.9681191507037674
Energy: 2.1856589786339935
Energy: 1.9681191507037674
Energy: 2.274029890849927
Energy: 1.968119150704392
Energy: 2.193143863807781
Energy: 2.016823110564083
Energy: 1.9529593155654819
Energy: 2.0168231105653316
Energy: 1.9529593155661067
Energy: 2.016823110564707
Energy: 1.9529593155673555
Energy: 2.0168231105653316
Energy: 2.027779500269944
Energy: 1.95260588387373
Energy: 2.027779500269944
Energy: 1.9526058838743545
Energy: 2.027779500269944
Energy: 1.9526058838731055
Energy: 2.027779500269319
Energy: 1.963698841776471
Energy: 2.03502986551979
Energy: 1.963698841775222
Energy: 2.035029865519165
Energy: 1.963698841775222
Energy: 2.0350298655185406
Energy: 1.963698841775222
Energy: 1.9330043301671052
Energy: 1.9814729472035306
Energy: 1.9330043301677295
Energy: 1.9814729472035306
Energy: 1.9330043301677295
Energy: 1.9814729472041552
Energy: 1.9330043301664808
Energy: 1.9842586497045185
Energy: 1.8541049432241787
Energy: 1.984258649705143
Energy: 1.8541049432235543
Energy: 1.984258649705143
Energy: 1.854104943225428
Energy: 1.984258649705143
Energy: 1.9413880844493632
Energy: 1.897390162697293
Energy: 1.9413880844499876
Energy: 1.8973901626966683
Energy: 1.9413880844512366
Energy: 1.8973901626960439
Energy: 1.9413880844518614
Energy: 1.9692258911733072
Energy: 1.8537753970066613
Energy: 1.9692258911733072
Energy: 1.8537753970072857
Energy: 1.9692258911739315
Energy: 1.8537753970066613
Energy: 1.9692258911758052
Energy: 2.161968552226274
Energy: 1.9548382776946298
Energy: 2.0995542189598386
Energy: 1.9548382776940052
Energy: 2.099554218961088
Energy: 1.9548382776952542
Energy: 2.099554218961088
Energy: 1.9696457846791786
Energy: 1.9129969283985404
Energy: 1.9696457846791786
Energy: 1.9129969283997896
Energy: 1.969645784678554
Energy: 1.9129969283991652
Energy: 1.9696457846804276
Energy: 2.00825735248065
Energy: 1.952709927068177
Energy: 2.0082573524800256
Energy: 1.9527099270675525
Energy: 2.0082573524800256
Energy: 1.9527099270663038
Energy: 2.00825735248065
Energy: 2.0666886274712164
Energy: 1.9500202595815153
Energy: 2.066688627470592
Energy: 1.9500202595802663
Energy: 2.066688627471841
Energy: 1.9500202595808906
Energy: 2.066688627471841
Energy: 2.0428963614969247
Energy: 1.9643032081079421
Energy: 2.1793740660532808
Energy: 1.9643032081098157
Energy: 2.0828944162700043
Energy: 1.9643032081091913
Energy: 2.0828944162700043
Energy: 1.9639973730232534
Energy: 2.0291110416282514
Energy: 1.9639973730238778
Energy: 2.0291110416282514
Energy: 1.9639973730232534
Energy: 2.0291110416282514
Energy: 1.9639973730232534
Energy: 1.9887453336633723
Energy: 1.8532745165481457
Energy: 1.9887453336633723
Energy: 1.853274516550019
Energy: 1.9887453336627479
Energy: 1.853274516549395
Energy: 1.9887453336621235
Energy: 2.01671661411127
Energy: 1.851318996891501
Energy: 2.01671661411127
Energy: 1.8513189968927497
Energy: 2.01671661411127
Energy: 1.8513189968921253
Energy: 2.01671661411127
Energy: 2.043229997531538
Energy: 1.9034380036295775
Energy: 2.1620441269357547
Energy: 1.9034380036283285
Energy: 2.1576374376584786
Energy: 1.9034380036295775
Energy: 2.155412732549576
Energy: 1.9407991961846374
Energy: 1.8503107281988682
Energy: 1.9407991961833884
Energy: 1.8503107281982436
Energy: 1.9407991961846374
Energy: 1.8503107281982436
Energy: 1.9407991961852618
Energy: 2.017837735553358
Energy: 1.9153371373928618
Energy: 2.017837735552733
Energy: 1.915337137391613
Energy: 2.017837735551484
Energy: 1.9153371373909882
Energy: 2.0178377355508594
Energy: 2.082486384046031
Energy: 1.972694188633399
Energy: 2.0824863840447816
Energy: 1.972694188633399
Energy: 2.0824863840454064
Energy: 1.9726941886340237
Energy: 2.082486384046031
Energy: 2.0177825978419004
Energy: 1.9504458329358647
Energy: 2.0177825978443984
Energy: 1.9504458329383627
Energy: 2.017782597843774
Energy: 1.9504458329364893
Energy: 2.0177825978431496
Energy: 1.9315527003475936
Energy: 1.9478546329773159
Energy: 1.931552700346969
Energy: 1.9478546329773159
Energy: 1.9315527003457198
Energy: 1.9478546329773159
Energy: 1.9315527003457198
Energy: 1.9927077106952429
Energy: 2.0645680376039532
Energy: 1.9927077106946183
Energy: 2.0645680376033284
Energy: 1.9927077106946183
Energy: 2.0645680376033284
Energy: 1.9927077106958675
Energy: 1.9313402545165284
Energy: 1.8721064066347024
Energy: 1.9313402545165284
Energy: 1.8721064066347024
Energy: 1.9313402545152791
Energy: 1.8721064066347024
Energy: 1.9313402545165284

minimum gb energy = 1.8503107281982436 eV
minimum distance =  2.47682300254515 Angstroms
sigma value = 21


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

Energy: 1.8335256719259507
Energy: 1.9203339118360063
Energy: 1.8335256719267088
Energy: 1.9203339118360063
Energy: 1.8335256719267088
Energy: 1.920333911835248
Energy: 1.8335256719259507
Energy: 1.7361220475265011
Energy: 1.6982898325829976
Energy: 1.7361220475265011
Energy: 1.6982898325837559
Energy: 1.7361220475265011
Energy: 1.6982898325837559
Energy: 1.7361220475272592
Energy: 1.806048594722639
Energy: 1.7756896841812986
Energy: 1.806048594722639
Energy: 1.7756896841820569
Energy: 1.806048594722639
Energy: 1.7756896841782663
Energy: 1.806048594722639
Energy: 1.6758002715947726
Energy: 1.6961106688572039
Energy: 1.6758002715940148
Energy: 1.6961106688579621
Energy: 1.6758002715902238
Energy: 1.6961106688579621
Energy: 1.6758002715932565
Energy: 1.6377620240104325
Energy: 1.7351351273964215
Energy: 1.6377620240096742
Energy: 1.7351351273971793
Energy: 1.6377620240096742
Energy: 1.7351351273964215
Energy: 1.6377620240096742
Energy: 1.6683461498020589
Energy: 1.708455869507316
Energy: 1.6683461498020589
Energy: 1.708455869507316
Energy: 1.6683461498020589
Energy: 1.708455869507316
Energy: 1.6683461498020589
Energy: 1.5973924676859892
Energy: 2.405851653220249
Energy: 1.5973924676867475
Energy: 2.405851653220249
Energy: 1.5973924676859892
Energy: 2.405851653220249
Energy: 1.5973924676859892
Energy: 1.7221722631340113
Energy: 1.7026768817699964
Energy: 1.7221722631340113
Energy: 1.7026768817692381
Energy: 1.7221722631340113
Energy: 1.7026768817699964
Energy: 1.7221722631340113
Energy: 1.822095966065668
Energy: 1.6563511876531076
Energy: 1.822095966065668
Energy: 1.6563511876523493
Energy: 1.822095966065668
Energy: 1.6563511876531076
Energy: 1.822095966065668
Energy: 1.6848188214404476
Energy: 2.3680496459356712
Energy: 1.6848188214404476
Energy: 2.3680496459356712
Energy: 1.6848188214404476
Energy: 2.3680496459356712
Energy: 1.6848188214404476
Energy: 1.5883659802747387
Energy: 1.7030192374228583
Energy: 1.5883659802747387
Energy: 1.7030192374228583
Energy: 1.5883659802747387
Energy: 1.7030192374228583
Energy: 1.588365980275497
Energy: 1.666244481020602
Energy: 1.7359774412023432
Energy: 1.6662444810198442
Energy: 1.7359774412023432
Energy: 1.6662444810198442
Energy: 1.7359774412023432
Energy: 1.6662444810198442
Energy: 1.7330757024728916
Energy: 1.6582970514132094
Energy: 1.7330757024721335
Energy: 1.6582970514116933
Energy: 1.7330757024721335
Energy: 1.6582970514132094
Energy: 1.7330757024721335
Energy: 1.7631701740655503
Energy: 2.4284373952683906
Energy: 1.763170174064792
Energy: 2.4284373952683906
Energy: 1.7631701740655503
Energy: 2.4284373952683906
Energy: 1.7631701740655503
Energy: 1.728744149968892
Energy: 1.7127089762818144
Energy: 1.7287441499673757
Energy: 1.7127089762818144
Energy: 1.728744149968892
Energy: 1.7127089762818144
Energy: 1.7287441499681337
Energy: 1.8387496706200228
Energy: 1.8662490540418286
Energy: 1.8387496706192645
Energy: 1.8662490540418286
Energy: 1.8387496706200228
Energy: 1.8662490540418286
Energy: 1.8387496706200228
Energy: 1.7607687821967417
Energy: 1.6930451785205978
Energy: 1.7607687821967417
Energy: 1.6930451785198397
Energy: 1.7607687821959834
Energy: 1.6930451785213558
Energy: 1.7607687821959834
Energy: 1.7881036279756808
Energy: 2.428461495823922
Energy: 1.7881036279749225
Energy: 2.42846149582468
Energy: 1.7881036279756808
Energy: 2.428461495823922
Energy: 1.7881036279749225
Energy: 1.7263722784416669
Energy: 1.712534786875079
Energy: 1.7263722784416669
Energy: 1.712534786874321
Energy: 1.7263722784409088
Energy: 1.712534786875079
Energy: 1.7263722784416669
Energy: 1.665663889704439
Energy: 1.6491285305966794
Energy: 1.665663889704439
Energy: 1.6491285305966794
Energy: 1.6656638897036806
Energy: 1.6491285305966794
Energy: 1.6656638897036806
Energy: 1.6708535544330134
Energy: 1.8154437699677528
Energy: 1.6708535544330134
Energy: 1.8154437699677528
Energy: 1.6708535544330134
Energy: 1.8154437699669945
Energy: 1.6708535544337715
Energy: 1.581899485755042
Energy: 2.419121090404206
Energy: 1.581899485755042
Energy: 2.419121090404206
Energy: 1.581899485755042
Energy: 2.419121090404206
Energy: 1.581899485755042
Energy: 1.6703938559674334
Energy: 1.7127633328161482
Energy: 1.7678225058771286
Energy: 1.7127633328161482
Energy: 1.7435171947906751
Energy: 1.7127633328161482
Energy: 1.7435171947914334
Energy: 1.789410480899341
Energy: 1.6490807689083877
Energy: 1.789410480899341
Energy: 1.6490807689083877
Energy: 1.7894104808985827
Energy: 1.6490807689083877
Energy: 1.789410480899341
Energy: 1.6703066810440104
Energy: 1.8481104362100105
Energy: 1.6703066810447686
Energy: 1.8481104362092524
Energy: 1.6703066810447686
Energy: 1.8481104362107688
Energy: 1.6703066810447686

minimum gb energy = 1.581899485755042 eV
minimum distance =  2.53105955730882 Angstroms
sigma value = 113


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

Energy: 1.5719097866650629
Energy: 1.6065458236660697
Energy: 1.571909786661678
Energy: 1.606545823667301
Energy: 1.5719097866650629
Energy: 1.606545823679994
Energy: 1.5719097866612932
Energy: 1.5476974906256844
Energy: 1.4808722894983055
Energy: 1.5476974906252998
Energy: 1.4808722895004596
Energy: 1.547697490628223
Energy: 1.4808722895004596
Energy: 1.547697490624838
Energy: 1.5637792251519198
Energy: 1.5513403643286068
Energy: 1.5637792251514584
Energy: 1.5513403643269146
Energy: 1.5637792251523044
Energy: 1.5513403643290686
Energy: 1.5637792251514584
Energy: 1.4795739935524705
Energy: 1.475285407748653
Energy: 1.4795739935529322
Energy: 1.4752854077448063
Energy: 1.4795739935533168
Energy: 1.4752854077473452
Energy: 1.4795739935537784
Energy: 1.4817673718837574
Energy: 1.5779317789276652
Energy: 1.4817673718854498
Energy: 1.5779317789289733
Energy: 1.481767371884142
Energy: 1.5779317789276652
Energy: 1.4817673718858342
Energy: 1.4723691280918108
Energy: 1.4932414727299064
Energy: 1.472369128091426
Energy: 1.4932414727240595
Energy: 1.4723691280918108
Energy: 1.493241472726983
Energy: 1.4723691280909645
Energy: 1.4566958032440391
Energy: 1.5205617730195742
Energy: 1.4566958032431927
Energy: 1.5205617730191126
Energy: 1.4566958032445005
Energy: 1.5205617730178818
Energy: 1.4566958032431927
Energy: 1.4673582103696692
Energy: 1.4344260657858094
Energy: 1.4673582103701308
Energy: 1.4344260657861938
Energy: 1.4673582103696692
Energy: 1.4344260657870405
Energy: 1.4673582103705154
Energy: 1.5177719169192772
Energy: 1.4772117909510636
Energy: 1.5177719169201231
Energy: 1.4772117909552949
Energy: 1.5177719169188923
Energy: 1.4772117909502174
Energy: 1.5177719169192772
Energy: 1.490908112736836
Energy: 1.43625957730687
Energy: 1.4909081127381436
Energy: 1.4362595773055622
Energy: 1.4909081127372974
Energy: 1.4362595773055622
Energy: 1.4909081127376822
Energy: 1.420736041064872
Energy: 1.3913014953569494
Energy: 1.420736041060256
Energy: 1.3913014953590264
Energy: 1.4207360410606407
Energy: 1.3913014953590264
Energy: 1.4207360410653336
Energy: 1.4237100835212164
Energy: 1.456420805034927
Energy: 1.4237100835203702
Energy: 1.4564208050357734
Energy: 1.4237100835220626
Energy: 1.4564208050353118
Energy: 1.4237100835203702
Energy: 1.3610353770361108
Energy: 1.6187403039283843
Energy: 1.3610353770378034
Energy: 1.6187403039237687
Energy: 1.361035377035726
Energy: 1.6187403039258457
Energy: 1.3610353770374188
Energy: 1.501803715697837
Energy: 1.4343707194222124
Energy: 1.501803715699914
Energy: 1.4343707194074415
Energy: 1.501803715697837
Energy: 1.4343707194276745
Energy: 1.5018037157003759
Energy: 1.4886876407435878
Energy: 1.3980823959174555
Energy: 1.4886876407418952
Energy: 1.3980823959174555
Energy: 1.4886876407435878
Energy: 1.3980823959085316
Energy: 1.48868764074228
Energy: 1.4111547483171252
Energy: 1.789495818365591
Energy: 1.4111547483167404
Energy: 1.789495818364745
Energy: 1.4111547483167404
Energy: 1.789495818365591
Energy: 1.4111547483171252
Energy: 1.3609896149322316
Energy: 1.449471682193031
Energy: 1.360989614933078
Energy: 1.4494716821955698
Energy: 1.36098961493177
Energy: 1.449471682193031
Energy: 1.3609896149326164
Energy: 1.4199293091804874
Energy: 1.4454147249713125
Energy: 1.419929309180872
Energy: 1.4454147249743128
Energy: 1.4199293091800258
Energy: 1.4454147249713125
Energy: 1.4199293091804874
Energy: 1.4563750551168568
Energy: 1.413728965359627
Energy: 1.4563750551173185
Energy: 1.4137289653600116
Energy: 1.4563750551168568
Energy: 1.413728965361704
Energy: 1.4563750551181645
Energy: 1.4753112448094607
Energy: 1.6353631995047828
Energy: 1.4753112448099228
Energy: 1.6353631995081677
Energy: 1.4753112448099228
Energy: 1.6353631995056293
Energy: 1.4753112448103072
Energy: 1.4554941813811295
Energy: 1.4300765852228874
Energy: 1.4554941813802833
Energy: 1.4300765852245798
Energy: 1.4554941813798987
Energy: 1.4300765852232722
Energy: 1.4554941813785909
Energy: 1.446680897587254
Energy: 1.4605649985782783
Energy: 1.446680897587254
Energy: 1.4605649997379304
Energy: 1.4466808975867924
Energy: 1.4605649990028584
Energy: 1.4466808975867924
Energy: 1.453544096975566
Energy: 1.4034667071419855
Energy: 1.453544096976797
Energy: 1.4034667071394467
Energy: 1.4535440969730273
Energy: 1.4034667071445242
Energy: 1.453544096976797
Energy: 1.4080187108306954
Energy: 1.7226401115008285
Energy: 1.4080187108298492
Energy: 1.7226401114999823
Energy: 1.408018710831157
Energy: 1.7226401114991363
Energy: 1.4080187108306954
Energy: 1.5905967420484282
Energy: 1.4617623736552419
Energy: 1.590596742047582
Energy: 1.4617623736582421
Energy: 1.5905967420488898
Energy: 1.4617623736577807
Energy: 1.5905967420484282
Energy: 1.5260312812915413
Energy: 1.4702276864867836
Energy: 1.5260312812910797
Energy: 1.47022768648763
Energy: 1.526031281292772
Energy: 1.4702276864867836
Energy: 1.5260312812915413
Energy: 1.5500289129732057
Energy: 1.702091793346548
Energy: 1.5500289129769749
Energy: 1.702091793346548
Energy: 1.5500289129740519
Energy: 1.7020917933452402
Energy: 1.5500289129774367
Energy: 1.503296481572392
Energy: 1.696648892694091
Energy: 1.5032964815711611
Energy: 1.6966488926936296
Energy: 1.5032964815732381
Energy: 1.6966488926923988
Energy: 1.5032964815732381
Energy: 1.690953696048369
Energy: 1.5002605926227266
Energy: 1.690953696052985
Energy: 1.5002605926231116
Energy: 1.690953696052985
Energy: 1.5002605926218804
Energy: 1.6909536960546772
Energy: 1.5313757724267136
Energy: 1.470588077168089
Energy: 1.5313757724254056
Energy: 1.4705880771689352
Energy: 1.5313757724157124
Energy: 1.4705880771689352
Energy: 1.5313757724152508
Energy: 1.5157774126652996
Energy: 1.4977874753438487
Energy: 1.5157774126648385
Energy: 1.497787475342618
Energy: 1.5157774126644534
Energy: 1.4977874753451565
Energy: 1.5157774126656847
Energy: 1.408049925900938
Energy: 1.6803923601877255
Energy: 1.4080499259005532
Energy: 1.6803923601872637
Energy: 1.4080499259013994
Energy: 1.680392360186879
Energy: 1.4080499259000916
Energy: 1.6064243807344993
Energy: 1.5111917553245806
Energy: 1.606424380734961
Energy: 1.5111917553271192
Energy: 1.606424380734961
Energy: 1.511191755326273
Energy: 1.606424380734961
Energy: 1.4127695761399564
Energy: 1.4443913168217755
Energy: 1.4127695761408026
Energy: 1.4443913168205444
Energy: 1.4127695761391101
Energy: 1.444391316822237
Energy: 1.4127695761408026
Energy: 1.4640154297232795
Energy: 1.639643375503836
Energy: 1.4640154297224333
Energy: 1.639643375503836
Energy: 1.4640154297241257
Energy: 1.639643375503836
Energy: 1.4640154297224333
Energy: 1.4598725975114928
Energy: 1.615535207767323
Energy: 1.4598725975148779
Energy: 1.6155352077698617
Energy: 1.4598725975114928
Energy: 1.6155352077660152
Energy: 1.4598725975148779
Energy: 1.6590575063128397
Energy: 1.4396543592020699
Energy: 1.6590575063136859
Energy: 1.439654359202916
Energy: 1.659057506312378
Energy: 1.4396543592033775
Energy: 1.6590575063132242
Energy: 1.4116895099938944
Energy: 1.3965737941900322
Energy: 1.4116895099926636
Energy: 1.396573794190417
Energy: 1.4116895099943558
Energy: 1.396573794190417
Energy: 1.4116895099918174
Energy: 1.4156095415749932
Energy: 1.4213760449376054
Energy: 1.4156095415775318
Energy: 1.4213760449401442
Energy: 1.415609541576301
Energy: 1.4213760449380668
Energy: 1.4156095415775318
Energy: 1.360739291837661
Energy: 1.4124894536611852
Energy: 1.3607392918351224
Energy: 1.4124894536294128
Energy: 1.3607392918380457
Energy: 1.4124894536573385
Energy: 1.3607392918346608
Energy: 1.438458863667734
Energy: 1.4583809488527468
Energy: 1.4384588636707343
Energy: 1.458380948853593
Energy: 1.438458863667734
Energy: 1.4583809488515156
Energy: 1.438458863669888
Energy: 1.444320077744972
Energy: 1.4006057158903713
Energy: 1.4443200777445104
Energy: 1.4006057158730618
Energy: 1.4443200777441256
Energy: 1.4006057159149123
Energy: 1.4443200777445104
Energy: 1.4172391865949985
Energy: 1.8217835096383075
Energy: 1.4172391865949985
Energy: 1.8217835096383075
Energy: 1.4172391865949985
Energy: 1.8217835096383075
Energy: 1.4172391865949985
Energy: 1.3605769548817785
Energy: 1.4248657148751835
Energy: 1.3605769548826245
Energy: 1.4248657148730295
Energy: 1.36057695488224
Energy: 1.4248657148730295
Energy: 1.3605769548826245
Energy: 1.4121623586209011
Energy: 1.4433648493505202
Energy: 1.4121623586196703
Energy: 1.4433648493483662
Energy: 1.4121623586209011
Energy: 1.443364849350905
Energy: 1.4121623586205165

minimum gb energy = 1.3605769548817785 eV
minimum distance =  2.51551472186843 Angstroms
sigma value = 365


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

Energy: 0.4804753563934558
Energy: 0.5843733664847865
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 3.3420769622176367
Energy: 1.6713479157339668
Energy: 3.342092533840773
Energy: 1.671347915734921
Energy: 3.3422314429766655
Energy: 1.6713479157339668
Energy: 3.0361746901969067
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 3.342250953419731
Energy: 1.6713479157339668
Energy: 3.342023370581744
Energy: 1.6713479157339668
Energy: 3.0358847030286134
Energy: 1.6713479157339668
Energy: 3.0364213751851077
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 3.341932030997059
Energy: 1.6713479157339668
Energy: 3.036136410879668
Energy: 1.6713479157339668
Energy: 3.0357065567634596
Energy: 1.6713479157339668
Energy: 3.036132269629751
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664847865
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 3.035666306477248
Energy: 1.6713479157330131
Energy: 3.3419916477651466
Energy: 1.6713479157339668
Energy: 3.342203493761292
Energy: 1.6713479157339668
Energy: 3.035963529783871
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 3.03591652774724
Energy: 1.6713479157339668
Energy: 3.0359810437962023
Energy: 1.6713479157339668
Energy: 3.035731677380589
Energy: 1.6713479157339668
Energy: 3.0360158790665905
Energy: 0.4804753563944098
Energy: 0.5843733664847865
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 3.035881260537
Energy: 1.6713479157339668
Energy: 3.035651588989498
Energy: 1.6713479157339668
Energy: 3.035980763074067
Energy: 1.6713479157339668
Energy: 3.3421720319950783
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 3.0357931778602807
Energy: 1.6713479157339668
Energy: 3.0357375292518705
Energy: 1.6713479157339668
Energy: 3.0361567481494234
Energy: 1.6713479157330131
Energy: 3.342087637993595
Energy: 0.4804753563944098
Energy: 0.5843733664847865
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 3.0364803368054716
Energy: 1.6713479157339668
Energy: 3.035899551358599
Energy: 1.6713479157339668
Energy: 3.0358230998173266
Energy: 1.6713479157339668
Energy: 3.035662391779269
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664838325
Energy: 0.4804753563934558
Energy: 3.0364524945831355
Energy: 1.671347915734921
Energy: 3.0362930259269274
Energy: 1.6713479157339668
Energy: 3.035907441284894
Energy: 1.6713479157339668
Energy: 3.0356522327251434
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 0.5843733664847865
Energy: 0.4804753563934558
Energy: 0.5843733664838325
Energy: 0.4804753563944098
Energy: 3.0364327857273494
Energy: 1.6713479157339668
Energy: 3.036147813353942
Energy: 1.671347915734921
Energy: 3.035684746639925
Energy: 1.6713479157339668
Energy: 3.342000900187086

minimum gb energy = 0.4804753563934558 eV
minimum distance =  2.42072790345375 Angstroms
sigma value = 23