Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.635521709918977
cohesive_energy=3.5250006151892697
mass=63.546
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: -0.576431369806444 eV

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

Energy: 0.016505573818895315
Energy: 0.43784547657944795
Energy: 0.7020706271499602
Energy: 0.43772858917369467
Energy: 0.016505573818642136
Energy: 0.4378454765797012
Energy: 0.9011223869488579
Energy: 0.4450207235102592
Energy: 0.01678935363285943
Energy: 0.23791830506266232
Energy: 0.01677738196071396
Energy: 0.44502072351076555
Energy: 0.01678935363285943
Energy: 0.23791830506291547
Energy: 0.016505573818895315
Energy: 0.43784547657944795
Energy: 0.7020706271499602
Energy: 0.43772858917369467
Energy: 0.016505573818642136
Energy: 0.43784547657944795
Energy: 0.9011223869488579
Energy: 0.4450207235102592
Energy: 0.01678935363285943
Energy: 0.23791830506266232
Energy: 0.01677738196071396
Energy: 0.44502072351051236
Energy: 0.01678935363285943
Energy: 0.23791830506291547
Energy: 0.016505573818895315
Energy: 0.4378454765797012
Energy: 0.9011223869488579
Energy: 0.4377285891734415
Energy: 0.016505573818642136
Energy: 0.43784547657944795
Energy: 0.9011223869488579
Energy: 0.44502072351051236
Energy: 0.016789353632606252
Energy: 0.23791830506266232
Energy: 0.01677738196071396
Energy: 0.44502072351076555
Energy: 0.01678935363285943
Energy: 0.23791830506291547

minimum gb energy = 0.016505573818642136 eV
minimum distance =  2.54782276598801 Angstroms
sigma value = 5


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

Energy: 0.9885338895242223
Energy: 0.9799285771198689
Energy: 0.9805942415378205
Energy: 0.980539362949835
Energy: 0.9885338895242223
Energy: 0.9799285771198689
Energy: 0.9805942415378205
Energy: 0.9263051441472188
Energy: 0.9330343269818384
Energy: 1.004299256031684
Energy: 0.9454528726584618
Energy: 0.9263051441472188
Energy: 0.9330343269848629
Energy: 1.004299256031684
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Energy: 0.995172820621182
Energy: 0.9327762207975292
Energy: 1.0254152162891736
Energy: 0.9428007814910813
Energy: 0.995172820621182
Energy: 0.9327762207975292
Energy: 1.0254152162891736
Energy: 0.9269135163172376
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Energy: 0.942089702807702
Energy: 0.9395242339298064
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Energy: 0.9559569321801102
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Energy: 0.9599764100155597
Energy: 0.9314521621731647
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Energy: 0.9320796750649591
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Energy: 0.9763665712557219
Energy: 0.9857579342604939
Energy: 1.0169799285483303
Energy: 0.9275100080772674
Energy: 0.9366859002960206
Energy: 0.9713842522297769
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Energy: 0.9275100080802916
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Energy: 0.9141131453732688
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Energy: 1.000724229512915
Energy: 0.9494896496550812
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Energy: 1.000724229512915
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Energy: 1.025510173732081
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Energy: 0.9622237980950495
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Energy: 1.0032911386370968
Energy: 0.9290990586864117
Energy: 0.9285512983848886
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Energy: 1.0028577238722092
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Energy: 0.9302453744828831
Energy: 0.9584049499949083
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Energy: 0.9768565537690167
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Energy: 0.9745758835473682
Energy: 0.9990330850919549
Energy: 0.9930489542570382
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Energy: 0.9614678783861373
Energy: 0.936272046741633
Energy: 1.0061585122281844
Energy: 0.9281140402992148
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Energy: 0.9951827823874265
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Energy: 0.9989586844204092
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Energy: 0.928019571954687
Energy: 1.0287507196451817
Energy: 0.9314092521089893
Energy: 0.9734126547481922
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Energy: 1.028750719648206
Energy: 1.0087146750275715
Energy: 0.9464576254104325
Energy: 1.0305201127950525
Energy: 0.9864455243158322
Energy: 1.008714675030596
Energy: 0.9464576254134568
Energy: 1.0305201127950525
Energy: 0.9656869297645326
Energy: 0.9242313924827465
Energy: 0.9877128096601968
Energy: 0.9627815825727829
Energy: 0.9656869297645326
Energy: 0.9242313924827465
Energy: 0.9877128096601968
Energy: 0.9056599124444608
Energy: 0.9366254405081763
Energy: 1.0369072011112108
Energy: 0.9379654748225003
Energy: 0.9056599124444608
Energy: 0.9366254405081763
Energy: 1.0369072011112108
Energy: 0.9241935849185952
Energy: 0.970912002907904
Energy: 1.0098096531218774
Energy: 0.9749953309972679
Energy: 0.9241935849155707
Energy: 0.970912002907904
Energy: 1.0098096531218774
Energy: 0.9053359201408621
Energy: 0.9544011060202724
Energy: 0.9585153192682748
Energy: 0.9259063759431699
Energy: 0.9053359201378378
Energy: 0.9544011060202724
Energy: 0.9585153192682748

minimum gb energy = 0.9053359201378378 eV
minimum distance =  2.28544198206035 Angstroms
sigma value = 401


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

Energy: 1.0168950834573296
Energy: 0.9587277549819533
Energy: 0.9363318428457956
Energy: 0.9568051709547201
Energy: 1.0168950834573296
Energy: 0.9587277549819533
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Energy: 0.9519576259064929
Energy: 0.9510868269710262
Energy: 0.9559203458392184
Energy: 0.9479705460048222
Energy: 0.9519576259099257
Energy: 0.9510868269710262
Energy: 0.9559203458392184
Energy: 0.9523004769095905
Energy: 0.9204958384531405
Energy: 1.0148513534315386
Energy: 0.9481295509341654
Energy: 0.9523004769062199
Energy: 0.9204958384531405
Energy: 1.0148513534315386
Energy: 0.9170466203836641
Energy: 0.925752155199268
Energy: 0.9565845616670297
Energy: 0.9345946604811938
Energy: 0.9170466203836641
Energy: 0.925752155199268
Energy: 0.9565845616704626
Energy: 0.9397002092484213
Energy: 0.9943265778235972
Energy: 0.9358447479146588
Energy: 0.9227546603005863
Energy: 0.9397002092484213
Energy: 0.9943265778235972
Energy: 0.9358447479109137
Energy: 0.9396699009571824
Energy: 0.9610296467670388
Energy: 0.9914573202350785
Energy: 0.9230864576356844
Energy: 0.9396699009571824
Energy: 0.9610296467670388
Energy: 0.9914573202350785
Energy: 0.9165184626516529
Energy: 0.9301163481896604
Energy: 0.9906420176316546
Energy: 0.936248424242725
Energy: 0.91651846264822
Energy: 0.9301163481862275
Energy: 0.9906420176316546
Energy: 0.9167677296077462
Energy: 0.9302948626157198
Energy: 0.9897267343424805
Energy: 0.9491156602653728
Energy: 0.9167677296077462
Energy: 0.9302948626157198
Energy: 0.9897267343325562
Energy: 0.9853737845771872
Energy: 0.9587277549819533
Energy: 0.9363318428457956
Energy: 0.9568051709547201
Energy: 0.98537378458062
Energy: 0.9587277549819533
Energy: 0.9363318428457956
Energy: 0.908784018667293
Energy: 0.9239003943664317
Energy: 0.9577650130246296
Energy: 0.9486707335955786
Energy: 0.908784018667293
Energy: 0.9239003943664317
Energy: 0.9577650130246296

minimum gb energy = 0.908784018667293 eV
minimum distance =  2.31887569989877 Angstroms
sigma value = 311


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

Energy: 0.9904910253613557
Energy: 0.9354336527947323
Energy: 1.003865117277467
Energy: 0.9354988968053138
Energy: 0.9904910253613557
Energy: 0.9354336527947323
Energy: 1.0159049623827123
Energy: 0.9790561745993622
Energy: 0.9773485245730718
Energy: 0.9840097009590734
Energy: 0.9428986911798258
Energy: 0.9790561745989658
Energy: 0.9773485245730718
Energy: 0.9840097009590734
Energy: 0.9515600842342387
Energy: 0.9432431285139
Energy: 1.032584748655073
Energy: 0.9555996470306384
Energy: 0.9515600842342387
Energy: 0.9432431285135037
Energy: 1.0260364161466171
Energy: 0.9497242764901114
Energy: 0.9365902397117998
Energy: 1.0187245046596693
Energy: 0.9188382231296127
Energy: 0.9497242764901114
Energy: 0.9365902397114033
Energy: 1.0187245046596693
Energy: 0.9797437701315852
Energy: 0.944354892024489
Energy: 1.0379254915320069
Energy: 0.9535050864280182
Energy: 0.9797437701315852
Energy: 0.944354892024489
Energy: 1.0379254915320069
Energy: 0.9329694548033105
Energy: 0.9436183498348102
Energy: 0.996381355507031
Energy: 0.9575425933960693
Energy: 0.932969454802914
Energy: 0.9436183498344137
Energy: 0.996381355507031
Energy: 0.9587244691777868
Energy: 0.9798159022110612
Energy: 0.9474684645866649
Energy: 0.9498770850837459
Energy: 0.9587244691777868
Energy: 0.9798159022110612
Energy: 0.9474684645862685
Energy: 0.933524630447399
Energy: 0.9354606602295367
Energy: 1.0284578195600793
Energy: 0.934568092185733
Energy: 0.9335246304470027
Energy: 0.935460660229933
Energy: 1.028457819559683
Energy: 0.9540278148141725
Energy: 0.9350799944727435
Energy: 0.9719371529903822
Energy: 0.935437495668384
Energy: 0.9540278148137762
Energy: 0.9350799944727435
Energy: 0.9719371529903822
Energy: 0.948309697979875
Energy: 0.9640404747596476
Energy: 1.0044843069587925
Energy: 0.9800457945879729
Energy: 0.948309697979875
Energy: 0.9640404747588549
Energy: 1.0044843069583962
Energy: 0.9751747558223792
Energy: 0.9742490727961203
Energy: 0.9642488623433093
Energy: 0.9194677728151247
Energy: 0.9751747558223792
Energy: 0.9742490727965166
Energy: 0.9642488623437057
Energy: 0.9684791872053257
Energy: 0.9593531913678871
Energy: 0.9799592661263773
Energy: 0.9678001783227131
Energy: 0.9684791872053257
Energy: 0.9593531913686799
Energy: 0.9799592661263773
Energy: 0.9814387132422459
Energy: 0.9703067179329774
Energy: 0.9854437696859613
Energy: 0.9375765318416283
Energy: 0.9814387132422459
Energy: 0.9703067179333738
Energy: 0.9854437696859613
Energy: 0.9428918701040159
Energy: 0.9554458835985692
Energy: 0.9695623634218785
Energy: 0.9565543119336035
Energy: 0.9428918701036194
Energy: 0.9554458835989657
Energy: 0.9695623634218785
Energy: 0.9674879497678492
Energy: 0.9375295213331201
Energy: 0.9855987339037462
Energy: 0.945644138493937
Energy: 0.9674879497678492
Energy: 0.9375295213331201
Energy: 0.9855987339033498
Energy: 0.9684753338558885
Energy: 0.9675958721981309
Energy: 0.9799012368120348
Energy: 0.9594456454426277
Energy: 0.9684753338562849
Energy: 0.9675958721985274
Energy: 0.9799012368124312
Energy: 0.975262954160453
Energy: 0.9438555144003659
Energy: 0.9642387221489586
Energy: 0.9720822685986804
Energy: 0.975262954160453
Energy: 0.9438555143999694
Energy: 0.9642387221489586
Energy: 0.9544732557751836
Energy: 0.9800816463102019
Energy: 0.9376626161044567
Energy: 0.9640884365703495
Energy: 0.9544732557751836
Energy: 0.9800816463098055
Energy: 0.9376626161064386
Energy: 0.9583521515035189
Energy: 0.9354983581382419
Energy: 0.9903940749994619
Energy: 0.9350190805152437
Energy: 0.9583521515035189
Energy: 0.9354983581386384
Energy: 0.9903940749994619
Energy: 0.9335901244981916
Energy: 0.9346312755773736
Energy: 1.0281797332704352
Energy: 0.9355515210781407
Energy: 0.9335901244981916
Energy: 0.9346312755781665
Energy: 1.0281797332696425
Energy: 0.9542974996323387
Energy: 0.9497807379544237
Energy: 1.001124226105345
Energy: 0.978850767008358
Energy: 0.9542974996323387
Energy: 0.9497807379540275
Energy: 1.001124226105345
Energy: 0.9332224545671706
Energy: 0.954080570305653
Energy: 0.9964931795965678
Energy: 0.9194432989094379
Energy: 0.9332224545675669
Energy: 0.954080570305653
Energy: 0.9964931795961713
Energy: 0.9797135215874382
Energy: 0.9535498875080332
Energy: 0.9777443189093203
Energy: 0.9444725539263361
Energy: 0.9797135215878345
Energy: 0.9535498875080332
Energy: 0.977744318910113
Energy: 0.9442173789188363
Energy: 0.9427036220227304
Energy: 1.0187766024699787
Energy: 0.9367291898329398
Energy: 0.9442173789188363
Energy: 0.9427036220227304
Energy: 1.0187766024699787
Energy: 0.9503611713814302
Energy: 0.9567622768468657
Energy: 0.9875146792754271
Energy: 0.964882366098211
Energy: 0.950361171382223
Energy: 0.9567622768464693
Energy: 0.9875146792758236
Energy: 0.9628318288877158
Energy: 0.94277322617284
Energy: 0.9840026637038672
Energy: 0.9520735602296264
Energy: 0.9628318288881121
Energy: 0.9427732261732363
Energy: 0.9840026637026781
Energy: 0.9904910253613557
Energy: 0.9354336527951287
Energy: 0.9821233209669816
Energy: 0.9354988968053138
Energy: 0.990491025361752
Energy: 0.9354336527947323
Energy: 0.9821233209673781
Energy: 0.9628687949940072
Energy: 0.9773485245726754
Energy: 0.9840097009590734
Energy: 0.9704277884598693
Energy: 0.9628687949928181
Energy: 0.9773485245734682
Energy: 0.9840097009586769
Energy: 0.9515600842342387
Energy: 0.9432431285135037
Energy: 1.0260364161470135
Energy: 0.9568048569884685
Energy: 0.9515600842342387
Energy: 0.9432431285135037
Energy: 1.0260364161470135
Energy: 0.9497242764905077
Energy: 0.9365902397114033
Energy: 1.018724504659273
Energy: 0.9188382231296127
Energy: 0.9497242764901114
Energy: 0.9365902397117998
Energy: 1.0187245046596693
Energy: 0.9797437701315852
Energy: 0.9443548920248854
Energy: 1.0379254915320069
Energy: 0.9535050864280182
Energy: 0.9797437701319818
Energy: 0.9443548920240926
Energy: 1.0379254915320069
Energy: 0.9429713053041733
Energy: 0.9194035158369342
Energy: 0.9963813555074275
Energy: 0.9575425933960693
Energy: 0.9429713053045696
Energy: 0.9194035158369342
Energy: 0.996381355507031
Energy: 0.9587244691781833
Energy: 0.9798159022106648
Energy: 0.9474684645862685
Energy: 0.9498770850845026
Energy: 0.9587244691777868
Energy: 0.9798159022110612
Energy: 0.9474684645870614
Energy: 0.9335246304470027
Energy: 0.9354606602303295
Energy: 1.0284578195600793
Energy: 0.9345680921865258
Energy: 0.933524630447399
Energy: 0.935460660229933
Energy: 1.0284578195600793
Energy: 0.9540278148141725
Energy: 0.9350978230466324
Energy: 0.9749920795109546
Energy: 0.9354374956679876
Energy: 0.9540278148137762
Energy: 0.9350978230466324
Energy: 0.9749920795101618
Energy: 0.9483096979802713
Energy: 0.9640404747588549
Energy: 0.9380395581246173
Energy: 0.9800457945883694
Energy: 0.9483096979802713
Energy: 0.9640404747592514
Energy: 0.9380395581250136

minimum gb energy = 0.9188382231296127 eV
minimum distance =  2.33938008838063 Angstroms
sigma value = 39


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

Energy: 0.9343394604682967
Energy: 0.9601343323649417
Energy: 0.9476588057987244
Energy: 0.9600854467786777
Energy: 0.9343394604697003
Energy: 0.9601343323644739
Energy: 0.9767591332039232
Energy: 0.9223699960807183
Energy: 0.9335814616630219
Energy: 0.8907439804417854
Energy: 0.9334789103949789
Energy: 0.9223699960797828
Energy: 0.9335814616639575
Energy: 0.8907439804413175
Energy: 0.9346158406636168
Energy: 0.8733907490981491
Energy: 0.9349500533693341
Energy: 0.9207119645235196
Energy: 0.9346158406617455
Energy: 0.8733907490981491
Energy: 0.9349500533683984
Energy: 0.9287220130868444
Energy: 0.9654673802915693
Energy: 0.8908991645937767
Energy: 0.9328512077629089
Energy: 0.9287220130877802
Energy: 0.965467380292505
Energy: 0.8908991645933088
Energy: 0.9869696019614064
Energy: 0.9209106790111683
Energy: 0.9192444259355295
Energy: 0.9277784028442178
Energy: 0.9869696019618741
Energy: 0.9209106790125717
Energy: 0.9192444259359972
Energy: 0.9288705022253027
Energy: 0.9344040313760699
Energy: 0.9844984017567239
Energy: 0.9600026287736347
Energy: 0.9288705022253027
Energy: 0.934404031375602
Energy: 0.9844984017567239
Energy: 1.0173267428857913
Energy: 0.9206459545637651
Energy: 0.9404631236188127
Energy: 0.9211978571502496
Energy: 1.017326742886727
Energy: 0.9206459545647009
Energy: 0.9188195568072127
Energy: 0.935576415813477
Energy: 0.8845351716031705
Energy: 1.0175945217695854
Energy: 0.884501302844785
Energy: 0.9355764158125413
Energy: 0.8845351716031705
Energy: 1.017594521770053
Energy: 1.0173296773960518
Energy: 0.921018945180662
Energy: 0.9378203584257744
Energy: 0.9215732659766713
Energy: 1.0173296773951161
Energy: 0.9210189451811298
Energy: 0.9378203584262422
Energy: 0.9290295359789702
Energy: 0.959294613761546
Energy: 0.9842074813529778
Energy: 0.9343430760750867
Energy: 0.9290295359789702
Energy: 0.9592946137610783
Energy: 0.9842074813529778
Energy: 0.9868378325885745
Energy: 0.9205270046195515
Energy: 0.9126299018561894
Energy: 0.9213113534646421
Energy: 0.9868378325881066
Energy: 0.9205270046190838
Energy: 0.9060916524237207
Energy: 0.9290124718859447
Energy: 0.9327614374934275
Energy: 0.8908545038556691
Energy: 0.9656592781601802
Energy: 0.9290124718878161
Energy: 0.9327614374948311
Energy: 0.890854503856137
Energy: 0.9343721457521859
Energy: 0.9201433897395886
Energy: 0.95911137774708
Energy: 0.8733618656074205
Energy: 0.9343721457521859
Energy: 0.9201433897400566
Energy: 0.9591113777456765
Energy: 0.9222302582222031
Energy: 0.9334689643695041
Energy: 0.8908381581412227
Energy: 0.9333193511639204
Energy: 0.9222302582240745
Energy: 0.9334689643685685
Energy: 0.8908381581421584
Energy: 0.9343394604682967
Energy: 0.9601343323649417
Energy: 0.976759133204859
Energy: 0.9600854467786777
Energy: 0.9343394604697003
Energy: 0.9601343323644739
Energy: 0.9767591332043911
Energy: 0.9223699960807183
Energy: 0.9335814616630219
Energy: 0.8907439804417854
Energy: 0.9334789103949789
Energy: 0.9223699960797828
Energy: 0.9335814616634897
Energy: 0.8907439804413175
Energy: 0.9346158406636168
Energy: 0.8733907490981491
Energy: 0.9349500533688663
Energy: 0.9207119645239874
Energy: 0.9346158406622133
Energy: 0.8733907490981491
Energy: 0.9349500533683984
Energy: 0.9287220130873124
Energy: 0.9654673802915693
Energy: 0.8908991645937767
Energy: 0.9328512077633765
Energy: 0.9287220130877802
Energy: 0.965467380292037
Energy: 0.8908991645928409
Energy: 0.9869696019618741
Energy: 0.9209106790107003
Energy: 0.9192444259355295
Energy: 0.9277784028442178
Energy: 0.9869696019632775
Energy: 0.9209106790130397
Energy: 0.9192444259359972
Energy: 0.9288705022253027
Energy: 0.934404031375602
Energy: 0.9844984017562561
Energy: 0.9600026287736347
Energy: 0.9288705022253027
Energy: 0.934404031375602
Energy: 0.9844984017567239
Energy: 1.0173267428857913
Energy: 0.9206459545637651
Energy: 0.9188195568067449
Energy: 0.9211978571502496
Energy: 1.0173267428862591
Energy: 0.9206459545647009
Energy: 0.9188195568072127
Energy: 0.935576415813477
Energy: 0.8845351716031705
Energy: 1.0175945217695854
Energy: 0.8845013028443172
Energy: 0.9355764158125413
Energy: 0.8845351716031705
Energy: 1.017594521770053
Energy: 1.017329677395584
Energy: 0.921018945180662
Energy: 0.9378203584262422
Energy: 0.9215732659766713
Energy: 1.0173296773951161
Energy: 0.921018945180662
Energy: 0.9378203584262422
Energy: 0.9290295359789702
Energy: 0.9592946137610783
Energy: 0.9842074813529778
Energy: 0.9343430760750867
Energy: 0.9290295359789702
Energy: 0.9592946137610783
Energy: 0.9842074813525099
Energy: 0.9868378325885745
Energy: 0.9205270046190838
Energy: 0.887644953796442
Energy: 0.9213113534646421
Energy: 0.9868378325885745
Energy: 0.9205270046186159
Energy: 0.8876449537707116
Energy: 0.9290124718859447
Energy: 0.9327614374938954
Energy: 0.890854503856137
Energy: 0.9656592781601802
Energy: 0.9290124718878161
Energy: 0.9327614374948311
Energy: 0.8908545038566048
Energy: 0.9343721457521859
Energy: 0.9201433897391208
Energy: 0.95911137774708
Energy: 0.8733618656074205
Energy: 0.9343721457526538
Energy: 0.9201433897395886
Energy: 0.9591113777461443
Energy: 0.9222302582222031
Energy: 0.9334689643695041
Energy: 0.8908381581412227
Energy: 0.9333193511639204
Energy: 0.9222302582236066
Energy: 0.9334689643685685
Energy: 0.8908381581421584
Energy: 0.9343394604682967
Energy: 0.9601343323649417
Energy: 0.976759133204859
Energy: 0.9600854467786777
Energy: 0.9343394604697003
Energy: 0.9601343323644739
Energy: 0.9767591332043911
Energy: 0.9223699960807183
Energy: 0.9335814616630219
Energy: 0.8907439804417854
Energy: 0.9334789103949789
Energy: 0.9223699960797828
Energy: 0.9335814616634897
Energy: 0.8907439804413175

minimum gb energy = 0.8733618656074205 eV
minimum distance =  2.36883003969644 Angstroms
sigma value = 21


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

Energy: 0.968672503282291
Energy: 1.0013702785132261
Energy: 1.022654133337092
Energy: 1.0011061184344692
Energy: 0.9686725032817232
Energy: 1.0013702785137941
Energy: 1.022654133337092
Energy: 0.9940692719983232
Energy: 0.9333761435680125
Energy: 0.8818732551191314
Energy: 0.9333903849661993
Energy: 0.9940692719983232
Energy: 0.9333761435680125
Energy: 0.8818732551191314
Energy: 0.9591549318598882
Energy: 0.9310184634363042
Energy: 0.9658292940635786
Energy: 0.9332460442057553
Energy: 0.9591549318598882
Energy: 0.9310184634363042
Energy: 0.9658292940641466
Energy: 0.9918597114839054
Energy: 0.9333421729763436
Energy: 0.9534375943246676
Energy: 0.9344135352329481
Energy: 0.9918597114839054
Energy: 0.9333421729763436
Energy: 0.9534375943246676
Energy: 0.9195969539060531
Energy: 0.9009904870958225
Energy: 0.9663515657319395
Energy: 0.9458776102329347
Energy: 0.919596953907189
Energy: 0.9009904870952546
Energy: 0.9663515657319395
Energy: 0.9920024245129085
Energy: 0.9450058923342186
Energy: 0.9631772938819821
Energy: 0.9331954022001542
Energy: 0.9920024245129085
Energy: 0.9450058923336506
Energy: 0.9631772938819821
Energy: 0.9590688892293779
Energy: 0.9010289251817821
Energy: 0.9668259677128778
Energy: 0.9449392907294416
Energy: 0.9590688892288101
Energy: 0.9010289251817821
Energy: 0.9668259677134456
Energy: 0.9827116389397514
Energy: 0.9405621889055604
Energy: 0.9634242807226522
Energy: 0.9331811321647616
Energy: 0.9827116389391836
Energy: 0.9405621889055604
Energy: 0.9634242807226522
Energy: 0.9588646487655308
Energy: 0.9324315578533141
Energy: 0.9435075981626457
Energy: 0.9507371915791504
Energy: 0.9588646487660987
Energy: 0.9324315578533141
Energy: 0.9435075981626457
Energy: 0.9601995954348442
Energy: 0.9439566182111648
Energy: 0.9310506836009792
Energy: 0.9335175606261731
Energy: 0.9601995954354122
Energy: 0.9439566182111648
Energy: 0.9310506836009792
Energy: 0.9518080922173141
Energy: 0.937362964034797
Energy: 0.9447812935018001
Energy: 0.9350896470209925
Energy: 0.9518080922173141
Energy: 0.937362964035365
Energy: 0.9447812935012322
Energy: 0.8896441842696845
Energy: 0.9040256790221894
Energy: 0.9286523100248066
Energy: 0.9038686898002605
Energy: 0.8896441842696845
Energy: 0.9040256790227574
Energy: 0.9286523100248066
Energy: 0.9514607746293363
Energy: 0.9372779532845903
Energy: 0.9568941915380984
Energy: 0.9319488542295955
Energy: 0.9514607746282004
Energy: 0.9372779532851582
Energy: 0.9568941915380984
Energy: 0.8897999362058482
Energy: 0.9036933321920548
Energy: 0.9624032121695646
Energy: 0.9044263944235934
Energy: 0.8897999362058482
Energy: 0.9036933321920548
Energy: 0.9624032121695646
Energy: 0.9879289439832039
Energy: 0.9011098038244746
Energy: 0.932127440397263
Energy: 0.9336586824179798
Energy: 0.9879289439832039
Energy: 0.9011098038250426
Energy: 0.932127440397263
Energy: 0.8896542797468815
Energy: 0.9700077664426539
Energy: 0.949316538028024
Energy: 0.9466412034045174
Energy: 0.8896542797474495
Energy: 0.9700077664426539
Energy: 0.949316538028024
Energy: 0.9879305324592698
Energy: 0.9015158011507907
Energy: 0.9602823526294647
Energy: 0.9337542310136111
Energy: 0.9879305324592698
Energy: 0.9015158011507907
Energy: 0.9602823526300325
Energy: 0.8895993147733913
Energy: 0.9432180663365983
Energy: 0.9494448945014373
Energy: 0.9672190343913594
Energy: 0.8895993147733913
Energy: 0.9432180663365983
Energy: 0.9494448945014373
Energy: 0.9496333592420567
Energy: 0.9015559492712099
Energy: 1.0011966809552106
Energy: 0.9341060328307689
Energy: 0.9496333592420567
Energy: 0.9015559492712099
Energy: 1.0011966809557786
Energy: 0.8898181574624745
Energy: 0.9523308005182574
Energy: 0.9417482376208215
Energy: 0.9522232670967213
Energy: 0.8898181574624745
Energy: 0.9523308005182574
Energy: 0.9417482376213895
Energy: 0.9497556965147481
Energy: 0.9342027265209374
Energy: 1.0009883450810217
Energy: 0.9015691853373292
Energy: 0.949755696515316
Energy: 0.9342027265203695
Energy: 1.0009883450810217
Energy: 0.889546722048976
Energy: 0.9672999628012137
Energy: 0.9496429274522189
Energy: 0.9456661001786387
Energy: 0.889546722048976
Energy: 0.9672999628012137
Energy: 0.9496429274522189
Energy: 0.9880071513095243
Energy: 0.9337173251686791
Energy: 0.9597057208168916
Energy: 0.9014605404340731
Energy: 0.9880071513095243
Energy: 0.9337173251692471
Energy: 0.9597057208174596
Energy: 0.8894631644855979
Energy: 0.9468016080143767
Energy: 0.9492385646785444
Energy: 0.9696323944402516
Energy: 0.8894631644861659
Energy: 0.9468016080149446
Energy: 0.9492385646785444
Energy: 0.9882346373226958
Energy: 0.9336197467738849
Energy: 0.9557873973365182
Energy: 0.9011980578237411
Energy: 0.9882346373215859
Energy: 0.9336197467733169
Energy: 0.9557873973370861

minimum gb energy = 0.8818732551191314 eV
minimum distance =  2.35256808775501 Angstroms
sigma value = 113


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

Energy: 0.9231607965811338
Energy: 0.9957220189265378
Energy: 0.9786913384969835
Energy: 0.9958972276393152
Energy: 0.9231607965811338
Energy: 0.9957220189265378
Energy: 0.9786913384906445
Energy: 0.9759341034230078
Energy: 0.9591078445511441
Energy: 0.8864502401423965
Energy: 0.9589350018307146
Energy: 0.9759341034230078
Energy: 0.9591078445511441
Energy: 0.886450240139227
Energy: 0.9260102993020495
Energy: 0.951637086325862
Energy: 0.9448272576406435
Energy: 0.9370285663690834
Energy: 0.9260102993020495
Energy: 0.951637086325862
Energy: 0.9448272576406435
Energy: 0.8973363867354074
Energy: 0.9588812887957112
Energy: 0.9089533255283038
Energy: 0.9595063596295978
Energy: 0.8973363867354074
Energy: 0.9588812887925416
Energy: 0.9089533255314157
Energy: 0.9715084001283059
Energy: 0.9082992985404089
Energy: 0.9648282937407335
Energy: 0.8966514460773372
Energy: 0.9715084001283059
Energy: 0.9082992985404089
Energy: 0.9648282937407335
Energy: 0.8973958454336515
Energy: 0.9154792128138151
Energy: 0.9513083731527103
Energy: 0.9236558700788745
Energy: 0.8973958454336515
Energy: 0.9154792128169846
Energy: 0.9513083731527103
Energy: 0.9176282471873384
Energy: 0.9094250753516574
Energy: 0.9930901470934266
Energy: 0.9073386884454283
Energy: 0.9176282471873384
Energy: 0.9094250753516574
Energy: 0.9930901470934266
Energy: 0.9004649284869156
Energy: 0.923018144445405
Energy: 0.9146546331088746
Energy: 0.9144114655876143
Energy: 0.9004649284837459
Energy: 0.923018144445405
Energy: 0.9146546331088746
Energy: 0.9175605876402345
Energy: 0.9211045687617592
Energy: 1.0413962641978578
Energy: 0.8895829641526167
Energy: 0.9175605876402345
Energy: 0.9211045687617592
Energy: 1.0413962642010277
Energy: 0.8913613903983951
Energy: 0.9171024684308832
Energy: 0.9281381102895861
Energy: 0.905219226790086
Energy: 0.8913613904015648
Energy: 0.9171024684308832
Energy: 0.9281381102895861
Energy: 0.9170987836198681
Energy: 0.9172453463252367
Energy: 1.0048193452727059
Energy: 0.9056973799153492
Energy: 0.9170987836198681
Energy: 0.9172453463284063
Energy: 1.0048193452695364
Energy: 0.891413072055912
Energy: 0.9119465561858833
Energy: 1.0211475852262983
Energy: 0.9202534856223322
Energy: 0.8914130720527425
Energy: 0.9119465561858833
Energy: 1.0211475852262983
Energy: 0.9188111473278742
Energy: 0.926950890431512
Energy: 0.9655880050563176
Energy: 0.9123423331460915
Energy: 0.9188111473278742
Energy: 0.9269508904283423
Energy: 0.9655880050563176
Energy: 0.9330173474630916
Energy: 0.9630688696575977
Energy: 0.9718055389245287
Energy: 0.9426585112966132
Energy: 0.9330173474630916
Energy: 0.9630688696575977
Energy: 0.971805538921359
Energy: 0.9184709954481491
Energy: 0.9731965713258596
Energy: 1.0136894210820977
Energy: 0.9640117382686894
Energy: 0.9184709954481491
Energy: 0.9731965713258596
Energy: 1.0136894210820977
Energy: 0.933056986771617
Energy: 0.9120382155906696
Energy: 0.931641867523681
Energy: 0.9202981541302554
Energy: 0.9330569867747865
Energy: 0.912038215593839
Energy: 0.931641867523681
Energy: 0.9185499633794852
Energy: 0.9268349618181908
Energy: 1.080771339894368
Energy: 0.9162876153010568
Energy: 0.9185499633763157
Energy: 0.9268349618181908
Energy: 1.080771339894368
Energy: 0.8912886069365424
Energy: 0.907429467461879
Energy: 0.9351022057441789
Energy: 0.921828093847897
Energy: 0.891288606939712
Energy: 0.9074294674587096
Energy: 0.9351022057441789
Energy: 0.918424063269963
Energy: 0.9309136056791316
Energy: 0.9695794955153479
Energy: 0.9352428387129247
Energy: 0.918424063269963
Energy: 0.930913605675962
Energy: 0.9695794955153479
Energy: 0.8894043009280577
Energy: 0.9127234793910888
Energy: 0.9639713978397415
Energy: 0.9073830304381784
Energy: 0.8894043009280577
Energy: 0.9127234793910888
Energy: 0.9639713978397415
Energy: 0.94071082718222
Energy: 0.9070451401992704
Energy: 0.9801049094676463
Energy: 0.9377073940923533
Energy: 0.9407108271790503
Energy: 0.9070451401992704
Energy: 0.9801049094676463
Energy: 0.8893745135904986
Energy: 0.9022575606982953
Energy: 0.9289728566779419
Energy: 0.9176332897398403
Energy: 0.8893745135873291
Energy: 0.9022575606982953
Energy: 0.9289728566779419
Energy: 0.9404897976061692
Energy: 0.9076852358599488
Energy: 0.9532720734882995
Energy: 0.9691657018720256
Energy: 0.9404897976061692
Energy: 0.9076852358599488
Energy: 0.9532720734882995
Energy: 0.9152948660258722
Energy: 0.9075710890870404
Energy: 0.969331493409192
Energy: 0.9177528369065947
Energy: 0.9152948660227027
Energy: 0.9075710890870404
Energy: 0.969331493409192
Energy: 0.937458750977736
Energy: 0.9485477425967084
Energy: 0.9824229607552111
Energy: 1.0041308465269454
Energy: 0.9374587509809056
Energy: 0.9485477425967084
Energy: 0.9824229607552111
Energy: 0.9186620509495536
Energy: 0.9433211958624251
Energy: 1.0278480057364647
Energy: 0.9559252778211184
Energy: 0.9186620509495536
Energy: 0.9433211958624251
Energy: 1.0278480057364647
Energy: 1.0157636256942417
Energy: 0.9453932988677434
Energy: 0.9554206764449396
Energy: 1.0043963982260118
Energy: 1.015763625691072
Energy: 0.9453932988645738
Energy: 0.9554206764449396
Energy: 0.9179529562488735
Energy: 0.9938455301691365
Energy: 1.0342024955083131
Energy: 1.000311961354355
Energy: 0.9179529562488735
Energy: 0.9938455301691365
Energy: 1.0342024955083131
Energy: 1.0155087217733314
Energy: 0.9451695001286186
Energy: 0.9609298994458375
Energy: 1.0038679883573842
Energy: 1.0155087217733314
Energy: 0.945169500125449
Energy: 0.9609298994426679
Energy: 0.9181512986662791
Energy: 0.9464678940326614
Energy: 1.0111848469410105
Energy: 0.9554251201733434
Energy: 0.9181512986662791
Energy: 0.9464678940326614
Energy: 1.0111848469410105
Energy: 0.9415911136301928
Energy: 0.9449020022946136
Energy: 1.010035377456919
Energy: 1.0041673232532797
Energy: 0.9415911136301928
Energy: 0.9449020022946136
Energy: 1.010035377456919
Energy: 0.9185165838229394
Energy: 0.9063297344761898
Energy: 0.9788304247745657
Energy: 0.9172107609524593
Energy: 0.9185165838229394
Energy: 0.9063297344761898
Energy: 0.9788304247713963
Energy: 0.9272877676648604
Energy: 0.9003568282861114
Energy: 1.0115377883931371
Energy: 0.9494364756002772
Energy: 0.9272877676648604
Energy: 0.9003568282861114
Energy: 1.011537788396307
Energy: 0.9226164153352296
Energy: 0.9064887555132485
Energy: 0.9571709572421393
Energy: 0.9175538364785861
Energy: 0.9226164153352296
Energy: 0.9064887555132485
Energy: 0.9571709572421393
Energy: 0.9239505860307758
Energy: 0.8986116860616469
Energy: 0.9878647101198725
Energy: 0.9463136446362105
Energy: 0.9239505860276062
Energy: 0.8986116860616469
Energy: 0.9878647101198725
Energy: 0.9227099188792197
Energy: 0.9116318746071731
Energy: 0.9873545990618003
Energy: 0.9069359702807399
Energy: 0.9227099188760501
Energy: 0.9116318746071731
Energy: 0.9873545990618003
Energy: 0.9237068694037875
Energy: 0.8932866244727321
Energy: 0.9936591841078056
Energy: 0.9510326850077965
Energy: 0.9237068694037875
Energy: 0.8932866244727321
Energy: 0.9936591841078056
Energy: 0.9274589642576168
Energy: 0.9116100106160094
Energy: 0.9626219366593286
Energy: 0.9070292221745341
Energy: 0.9274589642576168
Energy: 0.9116100106160094
Energy: 0.9626219366593286
Energy: 0.9236139894680194
Energy: 0.9359925760915094
Energy: 0.9929821982700034
Energy: 0.9398728177961704
Energy: 0.923613989471189
Energy: 0.9359925760915094
Energy: 0.9929821982700034
Energy: 0.927559417733638
Energy: 0.9545408432051521
Energy: 0.9762103646534521
Energy: 0.944416906002504
Energy: 0.927559417733638
Energy: 0.9545408432051521
Energy: 0.9762103646502825
Energy: 0.9648583679618153
Energy: 0.9352593083042996
Energy: 0.9415094611929979
Energy: 0.9399508675563009
Energy: 0.9648583679618153
Energy: 0.9352593083074693
Energy: 0.9415094611929979
Energy: 0.9279330966675076
Energy: 0.9310285678518889
Energy: 0.9960678494477099
Energy: 0.9511036656749886
Energy: 0.9279330966675076
Energy: 0.9310285678487192
Energy: 0.9960678494857447
Energy: 0.9279324635344444
Energy: 0.9351834575522382
Energy: 1.01258638283857
Energy: 0.93970281146081
Energy: 0.9279324635344444
Energy: 0.9351834575522382
Energy: 1.01258638283857
Energy: 0.9269280710320724
Energy: 0.9319132285952949
Energy: 1.0728069805261
Energy: 0.9186316248167564
Energy: 0.9269280710320724
Energy: 0.9319132285984644
Energy: 1.0728069805261
Energy: 0.8916419298004806
Energy: 0.9374125179771999
Energy: 0.9876486557362508
Energy: 0.9538919170886669
Energy: 0.8916419298004806
Energy: 0.9374125179740304
Energy: 0.9876486557362508

minimum gb energy = 0.886450240139227 eV
minimum distance =  2.24935636612816 Angstroms
sigma value = 365


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

Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.91242941644755
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.9227032875467972
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8946788412773478
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010335332
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010335332
Energy: 0.7925827687032768
Energy: 0.9227032875467972
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.9227032875467972
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8946788412773478
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743069758
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010335332
Energy: 0.7925827687032768
Energy: 0.8654458743084051
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010335332
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010335332
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687032768
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.8610836010342477
Energy: 0.7925827687032768
Energy: 0.8654458743076906
Energy: 0.7925827687025623
Energy: 0.8610836010342477
Energy: 0.7925827687025623
Energy: 0.8654458743076906

minimum gb energy = 0.7925827687025623 eV
minimum distance =  2.43167068699826 Angstroms
sigma value = 23