Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.8105355844189335
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 33.05202613528109
Energy: 0.021097196569509917
Energy: 0.021635723231017326
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 32.8415094127486
Energy: 1.0509356175527407
Energy: 0.02134150796021911
Energy: 0.020953063129838335
Energy: 1.042824767771039
Energy: 0.020953063129838335
Energy: 0.02134150796021911
Energy: 1.0509356175527407
Energy: 0.02134150796021911
Energy: 0.02095306313174628
Energy: 1.0428247677729472
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 6.497895258717027
Energy: 0.021097196569509917
Energy: 0.021635723231017326
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 33.10121758938023
Energy: 1.0509356175527407
Energy: 0.02134150796212706
Energy: 0.020953063129838335
Energy: 1.042824767771039
Energy: 0.02095306313174628
Energy: 0.02134150796021911
Energy: 1.0509356175527407
Energy: 0.02134150796021911
Energy: 0.02095306313174628
Energy: 1.0428247677729472
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 32.88268242979481
Energy: 0.021097196569509917
Energy: 0.021635723231017326
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 5.9853324549080575
Energy: 1.0509356175527407
Energy: 0.02134150796021911
Energy: 0.020953063129838335
Energy: 1.0428247677729472
Energy: 0.02095306313174628
Energy: 0.02134150796021911
Energy: 1.0509356175508329
Energy: 0.02134150796021911
Energy: 0.020953063129838335
Energy: 1.0428247677729472
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 33.09901289270997
Energy: 0.021097196569509917
Energy: 0.021635723231017326
Energy: 0.019688062572200075
Energy: 0.021635723231017326
Energy: 0.021097196569509917
Energy: 6.963930205486333

minimum gb energy = 0.019688062572200075 eV
minimum distance =  2.33612845941313 Angstroms
sigma value = 3


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

Energy: 2.6370699292025037
Energy: 2.0620250960051587
Energy: 1.9625240539966469
Energy: 2.111319579882248
Energy: 1.9496539268750062
Energy: 2.0652618482291887
Energy: 2.6370699292025037
Energy: 2.0620250960056263
Energy: 1.9625240539947775
Energy: 2.1113195798841167
Energy: 2.130130288060391
Energy: 2.0264293346429385
Energy: 1.9448201273667782
Energy: 2.180488169970135
Energy: 1.9297492113029007
Energy: 1.9969142868255063
Energy: 2.1301302880613253
Energy: 2.0264293346438733
Energy: 1.9448201273667782
Energy: 2.180488169969667
Energy: 2.370238583665618
Energy: 1.971574452005826
Energy: 1.9466950787640764
Energy: 2.00953266797018
Energy: 1.922332048050459
Energy: 1.9455931095550187
Energy: 2.370238583666553
Energy: 1.9879671179143121
Energy: 1.946695078765011
Energy: 2.0095326679697125
Energy: 2.112764721453605
Energy: 2.0000419485344048
Energy: 1.9016040568585064
Energy: 1.924642651519615
Energy: 1.891263849652661
Energy: 2.054958697610942
Energy: 2.1127647214531375
Energy: 2.0000419485330028
Energy: 1.9016040568589738
Energy: 1.9246426515191477
Energy: 2.0912052423805654
Energy: 1.9118769031383698
Energy: 1.9062693301004714
Energy: 1.9755312591409817
Energy: 1.9835159700678515
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Energy: 2.0912052423824345
Energy: 1.9118769031407068
Energy: 1.9062693301009388
Energy: 1.975531259142851
Energy: 1.916350206724112
Energy: 2.054610428582735
Energy: 1.9056095245460976
Energy: 1.9027611039293788
Energy: 1.9364306540336138
Energy: 2.2039386019292633
Energy: 1.938311473767295
Energy: 2.0546104285855384
Energy: 1.905609524546565
Energy: 1.9027611039317156
Energy: 2.0595882453105787
Energy: 1.9023301750337158
Energy: 2.028063865084093
Energy: 1.901749076170772
Energy: 2.0262723606322637
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Energy: 2.059588245311981
Energy: 1.9023301750360524
Energy: 2.0280638650836256
Energy: 1.901749076170772
Energy: 2.007734485527872
Energy: 1.962910835858915
Energy: 1.9827810982833838
Energy: 1.957908630120427
Energy: 1.97986124285907
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Energy: 2.007734485525535
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Energy: 1.957908630120427
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Energy: 1.9444695303786714
Energy: 2.074392778638567
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Energy: 1.955469897311858
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Energy: 2.057891699938572
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Energy: 2.607204564471794
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Energy: 2.0578916999390398
Energy: 1.9636170809123652
Energy: 1.9413380843517993
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Energy: 1.9011149994383445
Energy: 1.9414333122435414
Energy: 1.9906027630236494
Energy: 1.9003146622909703
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Energy: 2.1061874471829007
Energy: 1.9011149994397465
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Energy: 1.9906027630218222
Energy: 1.900314662290503
Energy: 1.9256918548296387
Energy: 1.9738241669540013
Energy: 1.9662740236294034
Energy: 1.9299962021735044
Energy: 2.2046765270179174
Energy: 1.9257570790344185
Energy: 1.9256918548310407
Energy: 1.9738241669525993
Energy: 1.9662740236312728
Energy: 1.9299962021711674
Energy: 1.9020088664745372
Energy: 1.9812812162023774
Energy: 1.9295345263574737
Energy: 1.9562112145635986
Energy: 2.1836255672952363
Energy: 2.0251482135858976
Energy: 1.9020088664736023
Energy: 1.9812812162051814
Energy: 1.9295345263598103
Energy: 1.9562112145626638
Energy: 1.9916141105094116
Energy: 1.9530700701964054
Energy: 1.9216229137768148
Energy: 2.025736340153731
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Energy: 2.0158649573970213
Energy: 1.9916141105117484
Energy: 1.9530700701973398
Energy: 1.9216229137768148
Energy: 2.010267605231292
Energy: 1.9899681191045533
Energy: 2.414087871953604
Energy: 1.9448719723544923
Energy: 1.9116853262415718
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Energy: 1.998226970536888
Energy: 1.989968119105488
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Energy: 1.9448719723540249
Energy: 1.9116853262406368
Energy: 1.9249634904113564
Energy: 1.9435878869088892
Energy: 1.9506668949712505
Energy: 1.972097238705866
Energy: 2.3840580536580176
Energy: 1.9777026771247854
Energy: 1.9249634904146278
Energy: 1.9435878869065524
Energy: 1.9506668949698482
Energy: 1.9720972387063334
Energy: 1.9023203235704906
Energy: 2.000060991711919
Energy: 1.9016028547072965
Energy: 1.991780729857068
Energy: 2.0871861713978346
Energy: 2.0094521690469906
Energy: 1.9023203235700232
Energy: 2.000060991714723
Energy: 1.901602854706829
Energy: 1.9917807298589374
Energy: 2.0488117796365177
Energy: 1.9107278155630938
Energy: 1.9951165562310662
Energy: 1.9357717790427718
Energy: 2.2039442660145796
Energy: 1.954120140000761
Energy: 2.0488117796388545
Energy: 1.9107278155626264
Energy: 1.9951165562315334
Energy: 1.9168168595970343
Energy: 1.8948742286085911
Energy: 1.9069995280488292
Energy: 1.9115537338543875
Energy: 2.0912465505722166
Energy: 1.9722844096114842
Energy: 1.8953354335409283
Energy: 1.8948742286109277
Energy: 1.9069995280474272
Energy: 1.9115537338539201
Energy: 2.091246550570347
Energy: 1.9269820471296937
Energy: 1.9023885186545952
Energy: 1.9818912302426301
Energy: 2.153046177068592
Energy: 2.054821725632358
Energy: 1.8920934157219444
Energy: 1.9269820471292265
Energy: 1.9023885186545952
Energy: 1.9818912302416953
Energy: 2.153046177067189
Energy: 2.0369465585506608
Energy: 1.9295364593687983
Energy: 1.9453284654606846
Energy: 2.3709309649506305
Energy: 1.9884365667312642
Energy: 1.9353889539515519
Energy: 2.036946558547857
Energy: 1.9295364593706676
Energy: 1.9453284654606846
Energy: 2.370930964952032
Energy: 2.069747396975608
Energy: 2.1093871435900766
Energy: 1.910295519611606
Energy: 2.0897496847766837
Energy: 2.014718778897241
Energy: 1.929217436253757
Energy: 2.069747396974673
Energy: 2.109387143592414
Energy: 1.910295519611606
Energy: 2.0897496847762165
Energy: 2.111252240826099
Energy: 1.949766336983065
Energy: 2.020204955798325
Energy: 2.5571791647383573
Energy: 2.0620250960056263
Energy: 1.962524053998049
Energy: 2.111252240828903
Energy: 1.949766336983065
Energy: 2.0202049557992594
Energy: 2.5571791647374225
Energy: 2.1804881699692
Energy: 1.9297492113043027
Energy: 1.9969142868259737
Energy: 2.130130288059923
Energy: 2.0264293346438733
Energy: 1.9448201273667782
Energy: 2.180488169970135
Energy: 1.92974921130477
Energy: 1.9969142868250391
Energy: 2.130130288059923
Energy: 2.0369465585501936
Energy: 1.9223320480495245
Energy: 1.9455931095503454
Energy: 2.370238583666553
Energy: 1.9715744520053589
Energy: 1.9466950787645436
Energy: 2.036946558549726
Energy: 1.9223320480495245
Energy: 1.9455931095484758
Energy: 2.370238583665151
Energy: 1.9246426515186805
Energy: 1.8912638496531284
Energy: 2.054897788100912
Energy: 2.112764721453605
Energy: 2.0000419485330028
Energy: 1.9016040568599084
Energy: 1.9246426515191477
Energy: 1.8912638496503245
Energy: 2.054897788100912
Energy: 2.11276472145454

minimum gb energy = 1.8912638496503245 eV
minimum distance =  2.43410241058021 Angstroms
sigma value = 75


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

Energy: 2.6667410026165546
Energy: 2.22120193510627
Energy: 2.178353616212629
Energy: 2.262633016816617
Energy: 2.15077850399615
Energy: 2.308967029519617
Energy: 2.6667410026165546
Energy: 2.22120193510627
Energy: 2.178353616212629
Energy: 2.247476188930283
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Energy: 2.0823599319478707
Energy: 2.1502165098923447
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Energy: 2.076530111498421
Energy: 2.0652683301410186
Energy: 2.0505811004536185
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Energy: 2.0400426256651083
Energy: 2.085587780814358
Energy: 2.0705435168365462
Energy: 2.0651102376604604
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Energy: 2.0695167187170007
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Energy: 2.0860012974986484
Energy: 2.0470205249214746
Energy: 2.02742676162663
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Energy: 1.9890166165873338
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Energy: 2.0860012974986484
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Energy: 2.0679977513958754
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Energy: 2.1112382582366367
Energy: 2.0627871689743866
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Energy: 2.0693999941883257
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Energy: 2.1892051361489706
Energy: 2.065523365760653
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Energy: 2.04689824349139
Energy: 2.077172255211837
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Energy: 2.065523365758414
Energy: 2.071445485002647
Energy: 2.0985917717909035
Energy: 2.200020035340467
Energy: 2.112625373435468
Energy: 2.1780417047165677
Energy: 2.112315876959636
Energy: 2.1099375698720273
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Energy: 2.315901770547859
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Energy: 2.3041414815235095
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Energy: 2.0652110048399335
Energy: 2.2248508972331624
Energy: 2.133864013361969
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minimum gb energy = 1.981219088645115 eV
minimum distance =  2.39078206177021 Angstroms
sigma value = 105


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

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Energy: 2.097536056877961
Energy: 2.126920761621064
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Energy: 1.9717515263011594
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Energy: 2.233702884675214
Energy: 2.0954031595988485
Energy: 2.1791165428413657
Energy: 2.3574866265617413
Energy: 1.9543778258534334
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Energy: 2.2337028846764766
Energy: 2.0954031595967906
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Energy: 2.287282070525305
Energy: 1.967416011743757
Energy: 2.2882253520249534
Energy: 2.2356930081383215
Energy: 1.9689012321711106
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Energy: 1.9689012321705959
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Energy: 2.013360592049505
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Energy: 2.056092723231466
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Energy: 2.181660370575281
Energy: 2.783421061258629
Energy: 2.1039667311123944
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Energy: 1.932658172009796
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Energy: 2.1476251575534357
Energy: 1.9326581720103104
Energy: 2.105943919898659
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Energy: 2.097353114014552
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Energy: 2.3480163824935354
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Energy: 2.137715287435727
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Energy: 2.148751617880784
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Energy: 2.0005324274808043
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Energy: 2.0918682638295425
Energy: 2.0585588820483167
Energy: 1.962141714130989
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Energy: 2.0005324274810845
Energy: 1.984893418093114
Energy: 2.0918682638303374
Energy: 2.0085923578744214
Energy: 1.98464920188747
Energy: 1.9732007754515566
Energy: 2.2782150382113273
Energy: 1.9625969769979141
Energy: 2.107243509783214
Energy: 1.970405927797896
Energy: 1.9846492018879844
Energy: 1.973200775450247
Energy: 2.2782150382115605
Energy: 1.9625969769971658
Energy: 2.474768522588418
Energy: 2.2850205366639624
Energy: 2.0616816313816275
Energy: 2.092418881548986
Energy: 2.0797816796895123
Energy: 1.9913289933591682
Energy: 2.474768522606427
Energy: 2.285020536665506
Energy: 2.0616816313805986
Energy: 2.092418881548191
Energy: 1.944571682224926
Energy: 2.3095130549161547
Energy: 2.386489073988473
Energy: 2.3941184487203104
Energy: 2.2131087023064784
Energy: 2.201201894646537
Energy: 1.9445716822241306
Energy: 2.3095130549148912
Energy: 2.386489073988473
Energy: 2.394118448718767
Energy: 2.2845947993531
Energy: 2.076349210491766
Energy: 2.08248585048179
Energy: 1.8992051148422142
Energy: 2.203056588707794
Energy: 2.0436576293023507
Energy: 2.2845947993525857
Energy: 2.0763492104920465
Energy: 2.08248585048179
Energy: 1.8992051148439917
Energy: 2.0036474010652334
Energy: 2.057665468749298
Energy: 1.9438197207892676
Energy: 1.9620639654962402
Energy: 2.2786213625688485
Energy: 1.9570447006458551
Energy: 2.0036474010647187
Energy: 2.057665468750093
Energy: 1.9438197207887533
Energy: 1.9620639654962402
Energy: 1.9888264937372644
Energy: 2.1073749352171256
Energy: 1.9677040064426488
Energy: 2.0186509085072477
Energy: 2.0449661862706656
Energy: 1.987149546417225
Energy: 1.988826493738808
Energy: 2.1073749352174063
Energy: 1.9677040064428823
Energy: 2.0186509085070137
Energy: 2.1290651638618274
Energy: 2.139388858875547
Energy: 2.0803237573295523
Energy: 2.075109097750519
Energy: 2.1359858468009576
Energy: 2.0343954772517203
Energy: 2.129065163860284
Energy: 2.139388858875827
Energy: 2.080323757329272
Energy: 2.075109097751034

minimum gb energy = 1.8992051148422142 eV
minimum distance =  2.41633616085127 Angstroms
sigma value = 165


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

Energy: 2.1205036865908906
Energy: 2.425104666239909
Energy: 1.8956181052295227
Energy: 1.9548455887012077
Energy: 1.8956194029823128
Energy: 2.4252960661548637
Energy: 2.1205036865900073
Energy: 2.425104666239909
Energy: 1.8956181052286396
Energy: 1.9548455886994414
Energy: 1.9642323910614756
Energy: 1.929192313364789
Energy: 1.8967152674877708
Energy: 2.074202788194905
Energy: 1.8084546524998912
Energy: 1.8487073164797143
Energy: 1.9642323910614756
Energy: 1.9291923133630227
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Energy: 2.074202788194905
Energy: 1.8479316046474366
Energy: 2.1315959007224814
Energy: 1.9763026980987886
Energy: 1.8487013014511582
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Energy: 1.8484747965171806
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Energy: 2.1109247061039844
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Energy: 1.9319478967402444
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Energy: 1.8499125262245195
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Energy: 2.074689532239975
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Energy: 1.952958459038491
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Energy: 2.074689532240858
Energy: 2.0942804973178073
Energy: 2.0848520823477537
Energy: 1.937186207984737
Energy: 2.1108084467380124
Energy: 1.8961474695169331
Energy: 2.4530849363049705
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Energy: 2.0848520823380388
Energy: 1.937186207983854
Energy: 2.1108084467371286
Energy: 2.074820397400888
Energy: 2.126784489071841
Energy: 2.078406799916037
Energy: 2.132622615097216
Energy: 1.901142524531738
Energy: 1.8488531028095168
Energy: 2.074820397430917
Energy: 2.126784489071841
Energy: 2.0784067999151534
Energy: 2.132622615097216
Energy: 1.8487381958099554
Energy: 2.13354858476361
Energy: 2.0295694592530897
Energy: 1.956933423414289
Energy: 1.8088604205832564
Energy: 1.8490478520821074
Energy: 1.8487381958108386
Energy: 2.133548584762727
Energy: 2.0295694592530897
Energy: 1.9569334234151723
Energy: 1.8491628107025009
Energy: 1.9763026980811245
Energy: 2.13177567463883
Energy: 1.8479338800600893
Energy: 2.2049948692477703
Energy: 1.9317062630616815
Energy: 1.8491628107025009
Energy: 1.9763026980749823
Energy: 2.1317756746379466
Energy: 1.8479338800609726
Energy: 2.073899219016429
Energy: 1.8974402789743863
Energy: 1.9289835369882589
Energy: 1.9645548044518995
Energy: 1.8487249910062569
Energy: 1.8084366389307625
Energy: 2.0738992190155456
Energy: 1.8974402789752696
Energy: 1.9289835369891422
Energy: 1.9645548044518995
Energy: 2.004224810939481
Energy: 1.8956194029823128
Energy: 2.4252960661548637
Energy: 2.1205036865891245
Energy: 2.425104666239909
Energy: 1.8956181052268732
Energy: 2.004224810989784
Energy: 1.895619402984079
Energy: 2.425296066155747
Energy: 2.1205036865900073

minimum gb energy = 1.8080902852674237 eV
minimum distance =  2.40459290914932 Angstroms
sigma value = 41


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

Energy: 2.740788099198365
Energy: 2.1140574395763023
Energy: 1.897248344283243
Energy: 1.9416773675148735
Energy: 1.9580123003432954
Energy: 2.1922235770207217
Energy: 2.74078809919905
Energy: 2.1140574395779845
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Energy: 2.350408799730142
Energy: 2.0802761845076154
Energy: 1.9858632471598299
Energy: 1.9356945579713374
Energy: 1.9874526987828272
Energy: 1.9592760713849533
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Energy: 1.9874526987828272
Energy: 1.8112812615203804
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Energy: 2.034399374255671
Energy: 1.9216849757269687
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Energy: 1.9932799291877978
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Energy: 1.9216849757303955
Energy: 1.9796426267179348
Energy: 1.8130339929580426
Energy: 1.8293074004670213
Energy: 1.9678496106105476
Energy: 2.0507769756337524
Energy: 1.9380656439439736
Energy: 1.9796426266563152
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Energy: 2.076347086441122
Energy: 2.5703735863384347
Energy: 1.9666920435583526
Energy: 1.9035908506494057
Energy: 1.9927875204585948
Energy: 1.9397032595835109
Energy: 2.0763470864428664
Energy: 2.57037358633912
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Energy: 1.9112852866080634
Energy: 1.9426556460733724
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Energy: 1.8883563805453882
Energy: 1.909012455697974
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Energy: 2.2392856700997275
Energy: 1.8688790734367116
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Energy: 2.0567936929438932
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Energy: 1.8688790734367116
Energy: 2.020659317159818
Energy: 2.385177445363046
Energy: 2.3025978705681402
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Energy: 2.302597870565399
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Energy: 1.9839937671331835
Energy: 1.7710357111064754
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Energy: 1.9416732645225108
Energy: 1.9868527152276585
Energy: 1.9628410687078552
Energy: 1.8327246141777267
Energy: 1.7710357111064754
Energy: 1.9847060050814664
Energy: 1.9416732645311088
Energy: 1.9868527152276585
Energy: 1.807010450188474
Energy: 1.808834863496405
Energy: 2.0390403108705972
Energy: 1.8686400375560202
Energy: 1.9351328804450771
Energy: 1.9897768371712705
Energy: 1.807010450188474
Energy: 1.808834863496405
Energy: 2.0390403108705972
Energy: 1.8686400375594467
Energy: 2.047212877746208
Energy: 1.8636205990535155
Energy: 1.8889178138051717
Energy: 1.9648614006561431
Energy: 2.0004322453250936
Energy: 1.938783350365512
Energy: 2.0472128776810994
Energy: 1.8636205990528303
Energy: 1.888917813798318
Energy: 1.9648614006561431
Energy: 2.080850080037932
Energy: 2.5677449035060094
Energy: 2.293242969960226
Energy: 1.9411898048245113
Energy: 2.089330132503478
Energy: 1.9604594429433353
Energy: 2.0808500800382435
Energy: 2.5677449035046394
Energy: 2.2932429699591674
Energy: 1.9411898048203993
Energy: 1.8279193491023011
Energy: 1.9037002911504006
Energy: 1.9839814299527572
Energy: 1.9382871778750845
Energy: 1.9864982744966249
Energy: 1.9640216494599132
Energy: 1.8279193491057282
Energy: 1.9037002911504006
Energy: 1.9839814299527572
Energy: 1.9382871778757698
Energy: 2.0429160326386295
Energy: 1.8106464910324869
Energy: 1.814141219485695
Energy: 2.045278477659841
Energy: 1.9541466631882205
Energy: 1.9490580320897448
Energy: 2.0429160326386295
Energy: 1.81064649102906
Energy: 1.8141412194891218
Energy: 2.045278477656414
Energy: 1.936640501468121
Energy: 1.861539812565456
Energy: 1.9590509820524338
Energy: 1.83565683688962
Energy: 1.9603596453912508
Energy: 2.0352471485991033
Energy: 1.936640501465068
Energy: 1.8615398937371075
Energy: 1.9590509820503776
Energy: 1.8356568368861934
Energy: 1.9606385180290808
Energy: 2.0277596030742293
Energy: 2.5675770943042617
Energy: 1.9660680391314704
Energy: 1.902551169199654
Energy: 2.071510164142772
Energy: 1.9606385180273984
Energy: 2.027759603075289
Energy: 2.567577094304947
Energy: 1.9660680391304113
Energy: 1.965835328752455
Energy: 1.8919645495930053
Energy: 1.8985293591050894
Energy: 1.9835577618511107
Energy: 1.947455510689071
Energy: 2.0004941363584607
Energy: 1.965835328752455
Energy: 1.8919645495895787
Energy: 1.8985293591067716
Energy: 1.9835577618511107
Energy: 1.986660752126438
Energy: 2.0430271572434173
Energy: 1.8298461742541992
Energy: 1.8072398981908624
Energy: 2.02551142652834
Energy: 1.9019072016435707
Energy: 1.986660752126438
Energy: 2.0430271572468444
Energy: 1.8298461742541992
Energy: 1.8072398981908624
Energy: 2.0550662669954707
Energy: 1.9474428884003312
Energy: 1.960330056630367
Energy: 1.784323593904514
Energy: 1.8372843525278095
Energy: 1.9622154327867423
Energy: 2.0550662669954707
Energy: 1.947442888400705
Energy: 1.9603300566337936
Energy: 1.7843235939079405
Energy: 2.004001340581196
Energy: 1.9360336477713347
Energy: 2.15351852635227
Energy: 2.323211773345972
Energy: 2.039737085251252
Energy: 1.9932292521171493
Energy: 2.004001340581196
Energy: 1.936033647770338
Energy: 2.1535185263547003
Energy: 2.3232137004126345
Energy: 1.997138433241857
Energy: 1.9104112080484166
Energy: 2.185920693889231
Energy: 1.981047413511429
Energy: 1.9112477007789639
Energy: 1.9389945280418848
Energy: 1.997138433241857
Energy: 1.9104112080484166
Energy: 2.1859206942386367
Energy: 1.9810474135107439

minimum gb energy = 1.7710357111064754 eV
minimum distance =  2.41810170769344 Angstroms
sigma value = 185


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

Energy: 1.9911122731353008
Energy: 2.1094035388647243
Energy: 2.0350745552508727
Energy: 2.3708613506461935
Energy: 2.027008059422719
Energy: 2.4522993189039837
Energy: 1.9911122731353008
Energy: 2.1094035388635044
Energy: 2.035074555252093
Energy: 2.2515609755779193
Energy: 2.0895859909096197
Energy: 1.7508348497260442
Energy: 1.712584706271438
Energy: 1.752197171904016
Energy: 1.7506653212127228
Energy: 1.961902589129902
Energy: 2.0895859909083994
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Energy: 1.712584706269441
Energy: 1.752197171904016
Energy: 2.469316575927916
Energy: 1.7506167166857856
Energy: 2.137371450778746
Energy: 2.026007237268752
Energy: 1.751189290042078
Energy: 2.106115136830134
Energy: 2.4693165759275093
Energy: 1.750616716684972
Energy: 2.1373714507799657
Energy: 2.0260072372691584
Energy: 2.2106579687757453
Energy: 1.7509877850933955
Energy: 1.7513612738143434
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Energy: 2.052469522931369
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Energy: 1.7509877850938025
Energy: 1.7513612738147502
Energy: 1.712310921122953
Energy: 2.4057960968398517
Energy: 1.712571751965177
Energy: 1.7512347292380341
Energy: 2.091535857671689
Energy: 1.9600240268411437
Energy: 2.0164191411001604
Energy: 2.4057960968394454
Energy: 1.7125717519647705
Energy: 1.7512347292794883
Energy: 2.091535857671283
Energy: 1.8371845138711171
Energy: 2.035194858483846
Energy: 2.149405898466983
Energy: 1.751241393494174
Energy: 2.4701867439293856
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Energy: 1.8993420692666907
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Energy: 2.1365444852338853
Energy: 1.751241393494174
Energy: 1.751494886548017
Energy: 2.024645323928965
Energy: 2.030364089663717
Energy: 2.0596723736167233
Energy: 1.9139476022086293
Energy: 2.470144690394196
Energy: 1.751494886548017
Energy: 1.9964748387315139
Energy: 2.0303640896633106
Energy: 1.7535586642908068
Energy: 2.0890839723833285
Energy: 1.751016207287635
Energy: 1.7125732529510458
Energy: 2.406436664043689
Energy: 2.013419287973503
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Energy: 1.7125732529510458
Energy: 2.406436664045316
Energy: 1.712421072047479
Energy: 1.7516660552641008
Energy: 1.7507438028457079
Energy: 2.210889030665364
Energy: 2.0554702548568584
Energy: 2.052755414942392
Energy: 1.712421072047479
Energy: 1.7516660552653212
Energy: 1.7507438028432674
Energy: 2.210889030666991
Energy: 2.0258308778998577
Energy: 2.137371450779152
Energy: 1.7505848127694426
Energy: 2.4697069511363905
Energy: 2.1056185025673866
Energy: 1.7519885568593005
Energy: 2.0258308779006713
Energy: 2.137371450778746
Energy: 1.750584812769036
Energy: 2.4697069511363905
Energy: 1.7521304714541335
Energy: 1.712704621521386
Energy: 1.75112656767564
Energy: 2.089360038142346
Energy: 1.9619025891311226
Energy: 1.7506507427788398
Energy: 1.7521304714541335
Energy: 1.712704621523013
Energy: 1.75112656767564
Energy: 2.0893600381415323
Energy: 2.006003751117333
Energy: 2.0270080594235327
Energy: 2.4522993189023565
Energy: 1.9911122731357078
Energy: 2.109403538863097
Energy: 2.0350745552516862
Energy: 2.2674151324994702
Energy: 2.027008059422719
Energy: 1.7533635298102161
Energy: 1.9911122731357078
Energy: 1.752197171904016
Energy: 1.7506653212131296
Energy: 1.961902589131936
Energy: 2.0895859909083994
Energy: 1.7508348497268578
Energy: 1.7125847062710313
Energy: 1.752197171904016
Energy: 1.7506653212119092
Energy: 1.9619025891311226
Energy: 2.0895859909096197
Energy: 2.026007237269565
Energy: 1.7511892900416715
Energy: 2.1061151368289135
Energy: 2.469316575927916
Energy: 1.7506167166857856
Energy: 2.1373714507799657
Energy: 2.026007237269565
Energy: 1.7511892900412644
Energy: 2.10611513683054
Energy: 2.469316575927102
Energy: 1.7123109211225465
Energy: 2.0530131539525383
Energy: 2.0524695229378778
Energy: 2.2106579687757453
Energy: 1.750987785092989
Energy: 1.7513612738159705
Energy: 1.7123109211225465
Energy: 2.0530131539529455
Energy: 2.0524695229399117
Energy: 2.2106579687753385
Energy: 2.091535857671689
Energy: 1.9600240268403302
Energy: 2.0164191411005667
Energy: 2.4057960968394454
Energy: 1.71257175196355
Energy: 1.7512347292465764
Energy: 2.091535857671283
Energy: 1.9600240268419575
Energy: 2.0164191410997536
Energy: 2.4057960968398517
Energy: 1.7512413934937672
Energy: 2.470186743943586
Energy: 1.9148961507143587
Energy: 1.8947947015518647
Energy: 2.035194858483439
Energy: 2.1365444852208686
Energy: 1.751241393494581
Energy: 2.47018674393264
Energy: 1.9148961510160383
Energy: 1.8993420692699448
Energy: 2.121130406491612
Energy: 1.913947602156562
Energy: 2.4701446903929756
Energy: 1.751494886548017
Energy: 1.9964748387311069
Energy: 2.0303640896629034
Energy: 1.802596799880869
Energy: 1.9139476021748667
Energy: 2.470144690393382
Energy: 1.7514948865488305
Energy: 2.406436664045316
Energy: 2.013419287974724
Energy: 1.9607329859131069
Energy: 2.0890839723849557
Energy: 1.7510162072860076
Energy: 1.7125732529518594
Energy: 2.4064366640440955
Energy: 2.013419287974724
Energy: 1.960732985910666
Energy: 2.089083972384142
Energy: 2.2108890306657702
Energy: 2.0554702548601123
Energy: 2.0527554149411715
Energy: 1.7124210720470723
Energy: 1.7516660552657282
Energy: 1.7507438028453008
Energy: 2.210889030666178
Energy: 2.055470254863367
Energy: 2.052755414941578
Energy: 1.7124210720478859
Energy: 2.4697069511376113
Energy: 2.1056185024828147
Energy: 1.7519885568609277
Energy: 2.0258308778998577
Energy: 2.137371450779152
Energy: 1.7505848127698496
Energy: 2.4697069511367973
Energy: 2.105618522423469
Energy: 1.7519885568584872
Energy: 2.0258308779006713
Energy: 2.0893600381415323
Energy: 1.9619025891294954
Energy: 1.7506507427776195
Energy: 1.7521304714541335
Energy: 1.7127046215221995
Energy: 1.7511265676740129
Energy: 2.0893600381411255
Energy: 1.9619025891331563
Energy: 1.7506507427788398
Energy: 1.7521304714533197
Energy: 1.9911122731348945
Energy: 2.1094035388651315
Energy: 2.0350745552525
Energy: 2.318850981285443
Energy: 2.0270080594223123
Energy: 1.7533634133675382
Energy: 1.9911122731353008
Energy: 2.1094035388635044
Energy: 2.035074555252907
Energy: 2.3272635546742837
Energy: 2.089585990909212
Energy: 1.7508348497260442
Energy: 1.7125847062718447
Energy: 1.7521971719036094
Energy: 1.7506653212119092
Energy: 1.961902589130309
Energy: 2.0895859909088057
Energy: 1.7508348497272646
Energy: 1.7125847062702546
Energy: 1.752197171904016
Energy: 2.4693165759275093
Energy: 1.7506167166853788
Energy: 2.1373714507783386
Energy: 2.026007237269565
Energy: 1.7511892900432986
Energy: 2.106115136831354
Energy: 2.469316575927916
Energy: 1.7506167166853788
Energy: 2.137371450779152
Energy: 2.0260072372691584
Energy: 2.210657968774118
Energy: 1.7509877850933955
Energy: 1.7513612738131232
Energy: 1.712310921122953
Energy: 2.0530131539545726
Energy: 2.0524695229399117
Energy: 2.2106579687765215
Energy: 1.7509877850917683
Energy: 1.7513612738147502
Energy: 1.712310921122953
Energy: 2.4057960968398517
Energy: 1.712571751965177
Energy: 1.7512347292412886
Energy: 2.0915358576725027
Energy: 1.9600240268407372
Energy: 2.0164191411009735
Energy: 2.4057960968398517
Energy: 1.712571751963957
Energy: 1.751234729240475
Energy: 2.091535857671283
Energy: 1.7858484670303543
Energy: 2.03519485848466
Energy: 2.136544485220461
Energy: 1.751241393494581
Energy: 2.470186743935894
Energy: 1.914896151223013
Energy: 1.908422540394203
Energy: 2.0351948584830324
Energy: 2.1365444852038205
Energy: 1.751241393494174
Energy: 1.75149488654761
Energy: 1.996474838732734
Energy: 2.0303640896649373
Energy: 2.077079540287465
Energy: 1.9139476021984596
Energy: 2.4701446903946023
Energy: 1.751494886548017
Energy: 1.9964748387343612
Energy: 2.0303640896633106
Energy: 1.7535586642912138
Energy: 2.0890839723849557
Energy: 1.751016207292516
Energy: 1.712573252950639
Energy: 2.406436664045316
Energy: 2.013419287973503
Energy: 1.9607329859098526
Energy: 2.089083972385362
Energy: 1.751016207288855
Energy: 1.7125732529498254
Energy: 2.406436664043282
Energy: 1.712421072047479
Energy: 1.7516660552665415
Energy: 1.7507438028444873
Energy: 2.210889030666178
Energy: 2.055470254860519
Energy: 2.0527554149403584
Energy: 1.712421072047479
Energy: 1.7516660552653212
Energy: 1.750743802843674
Energy: 2.210889030666178
Energy: 2.0258308778998577
Energy: 2.1373714507783386
Energy: 1.7505848127698496
Energy: 2.4697069511376113
Energy: 2.1056185036058483
Energy: 1.7519885568597071
Energy: 2.0258308778998577
Energy: 2.1373714507803725
Energy: 1.7505848127706631
Energy: 2.4697069511367973
Energy: 1.7521304714537267
Energy: 1.712704621523013
Energy: 1.75112656767564
Energy: 2.089360038141939
Energy: 1.9619025891339699
Energy: 1.7506507427784332
Energy: 1.7521304714541335
Energy: 1.712704621523013
Energy: 1.75112656767564
Energy: 2.089360038141939

minimum gb energy = 1.7123109211225465 eV
minimum distance =  2.40602529069246 Angstroms
sigma value = 33


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

Energy: 2.1259573829594687
Energy: 2.2559910660637845
Energy: 2.0965842736608233
Energy: 2.3836766810151917
Energy: 2.0955498476491186
Energy: 2.2561346613515267
Energy: 2.1259573829594687
Energy: 2.2559910660637845
Energy: 2.0965842736608233
Energy: 2.379439851710617
Energy: 2.244366523765753
Energy: 2.108736426919153
Energy: 2.0965471665935502
Energy: 1.9944133546564486
Energy: 1.9177188289124663
Energy: 2.0059856981911803
Energy: 2.2443665237635195
Energy: 2.108736426921386
Energy: 2.0965471665935502
Energy: 1.9944133546564486
Energy: 2.299578608483557
Energy: 1.8740994502358574
Energy: 2.1549505576768366
Energy: 2.1241768787135324
Energy: 1.9292775465721212
Energy: 1.9593013193034483
Energy: 2.299578608483557
Energy: 1.8740994502380905
Energy: 2.1549505576768366
Energy: 2.1241768787135324
Energy: 2.128919796531382
Energy: 1.8796581953214346
Energy: 1.9660145235374984
Energy: 2.0798509959473854
Energy: 2.0615693345727117
Energy: 2.150496626323426
Energy: 2.1289197965336153
Energy: 1.8796581919241855
Energy: 1.966014523535265
Energy: 2.0798509959496188
Energy: 1.964996487488149
Energy: 1.8755209679020484
Energy: 2.06694611122427
Energy: 2.180241216304069
Energy: 2.0490996733290556
Energy: 2.0831390461355266
Energy: 1.9649964874859158
Energy: 1.8755209679176796
Energy: 2.067169022387124
Energy: 2.1802412163063023
Energy: 2.141561042460324
Energy: 1.894229326726718
Energy: 2.3055617415789715
Energy: 1.9596729753975555
Energy: 1.9304751313202673
Energy: 2.200438674889574
Energy: 2.1415610424580906
Energy: 1.8942293267200188
Energy: 2.3055617415789715
Energy: 1.9596729753975555
Energy: 2.082379302734282
Energy: 2.0928463704935956
Energy: 2.2400216621007276
Energy: 2.0242797799939285
Energy: 1.9203098588595708
Energy: 1.9942600359610991
Energy: 2.0823793027387487
Energy: 2.0928463791072436
Energy: 2.2400216621007276
Energy: 2.024279779996162
Energy: 2.0987267764478323
Energy: 2.2617411630002624
Energy: 2.08181853271899
Energy: 2.1914192460237376
Energy: 2.0972004819811487
Energy: 2.118002755170563
Energy: 2.0987267764500657
Energy: 2.2617411630024957
Energy: 2.0818185327212233
Energy: 2.1914192460259305
Energy: 1.9160293535736888
Energy: 1.9603737659526126
Energy: 2.238689976953294
Energy: 2.1796922930211884
Energy: 2.1000324726152577
Energy: 1.9950849384023497
Energy: 1.9160293535714554
Energy: 1.960373765954846
Energy: 2.238689976953294
Energy: 2.1796922930234217
Energy: 1.9215121622233389
Energy: 1.9597431166022927
Energy: 2.3016409813451806
Energy: 1.875927708141783
Energy: 2.1586244416269
Energy: 2.123937480485661
Energy: 1.9215121622858244
Energy: 1.9597431166000598
Energy: 2.3016409813451806
Energy: 1.875927708144016
Energy: 2.195433964673996
Energy: 2.1138254882732928
Energy: 2.0787888336114113
Energy: 1.8758222597497736
Energy: 1.962133260087648
Energy: 2.0768242878536443
Energy: 2.1954339646762295
Energy: 2.1138254882732928
Energy: 2.0787888336091784
Energy: 1.875822260022088
Energy: 2.0491214469651995
Energy: 2.0882978555485225
Energy: 1.963257812928253
Energy: 1.8747916123421442
Energy: 2.061431659987331
Energy: 2.1707395863589274
Energy: 2.049121446962966
Energy: 2.0882978555485225
Energy: 1.963257812930486
Energy: 1.874791642629359
Energy: 1.9293269762901315
Energy: 2.0714161283407475
Energy: 2.134499226253713
Energy: 1.8777837436289464
Energy: 2.3099636050138614
Energy: 1.9639267529818043
Energy: 1.9293269762901315
Energy: 2.0714161283407475
Energy: 2.134499226255946
Energy: 1.8777837429771704
Energy: 1.918750526844776
Energy: 1.9947483817525546
Energy: 2.088520723572367
Energy: 2.129544924264489
Energy: 2.2414211852922077
Energy: 2.0318564581785052
Energy: 1.9187505268470089
Energy: 1.9947483817525546
Energy: 2.0885207235701344
Energy: 2.129544916115119
Energy: 2.0986988395823327
Energy: 2.1263923781059337
Energy: 2.0880218700946065
Energy: 2.262050245061796
Energy: 2.0833714961230965
Energy: 2.190768210886664
Energy: 2.0986988395823327
Energy: 2.1263923781037004
Energy: 2.0880218700946065
Energy: 2.262050245061796
Energy: 2.1106366974097432
Energy: 1.9970342456965795
Energy: 1.9161468741802699
Energy: 1.9595947878577822
Energy: 2.0704346781429197
Energy: 2.0901288946051966
Energy: 2.11063669740751
Energy: 1.9970342456988126
Energy: 1.9161468741802699
Energy: 1.9595947878533162
Energy: 1.9953247660554883
Energy: 2.137139718303597
Energy: 1.9215031121192099
Energy: 1.9613003924886143
Energy: 1.9347289101922736
Energy: 1.8732910851708882
Energy: 1.9953247660577214
Energy: 2.1371397182991716
Energy: 1.9215031121192099
Energy: 1.9613003924886143
Energy: 1.9619923362288434
Energy: 2.076124363608794
Energy: 2.19524789622292
Energy: 2.1031496854414504
Energy: 2.16444178311167
Energy: 1.882423338334918
Energy: 1.9619923362243772
Energy: 2.0761243636065605
Energy: 2.19524789622292
Energy: 2.1031496854548486
Energy: 1.9118762293813787
Energy: 2.1700865719799878
Energy: 2.0502654342128768
Energy: 2.093862610112569
Energy: 2.0684149321144356
Energy: 1.8845771597379972
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Energy: 2.1930632100533387
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Energy: 1.907325011427199
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Energy: 2.095314487309488
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Energy: 1.9596420013460747
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Energy: 2.113741236707223
Energy: 2.030144667173394
Energy: 1.9602013283762807
Energy: 1.9087253557285784
Energy: 1.8725773692938474
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Energy: 2.1137412367094557
Energy: 2.030144667173394
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Energy: 1.9627259072152357
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Energy: 2.119818970459271
Energy: 1.9627259072130026
Energy: 2.0861530167823488
Energy: 2.197062844306908
Energy: 2.0784362848928364

minimum gb energy = 1.8708360992095128 eV
minimum distance =  2.34314460203366 Angstroms
sigma value = 219


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

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Energy: 1.8396689484094049
Energy: 1.8326583227138258
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Energy: 1.6902743664122475
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Energy: 1.7335684456144083
Energy: 1.8397561330657346
Energy: 1.8325510873982913
Energy: 1.865146667293594
Energy: 1.8324971284857448
Energy: 2.304831435870102

minimum gb energy = 1.6898110816522673 eV
minimum distance =  2.49582117421458 Angstroms
sigma value = 15


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

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Energy: 1.9671464536038428
Energy: 2.479567552805437
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Energy: 1.9991461521106373
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minimum gb energy = 1.9312517068609678 eV
minimum distance =  2.42480435008712 Angstroms
sigma value = 293


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

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Energy: 2.222165643046733
Energy: 2.398914665581851
Energy: 2.232931008322088
Energy: 2.061650359196943
Energy: 2.0581506878991966
Energy: 1.95556958569345
Energy: 2.43994626281448
Energy: 2.0611495772929502
Energy: 2.048761582705951
Energy: 2.115413527042113
Energy: 2.1806830009398133
Energy: 1.955569585790531
Energy: 2.4399462628148134
Energy: 2.0611495772926167
Energy: 2.0487615827052834
Energy: 2.2521662522594146
Energy: 2.1214894051471562
Energy: 2.1626098736403385
Energy: 2.061412110488157
Energy: 2.0560259078674292
Energy: 1.9488088171470674
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Energy: 2.1214894051471562
Energy: 2.162609873641006
Energy: 2.061412110487489
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Energy: 2.0210166483549346
Energy: 2.3044654207276873
Energy: 2.194646417912037
Energy: 2.1238884953645023
Energy: 2.3943779808448706
Energy: 1.968317290522134
Energy: 2.0210166483546006
Energy: 2.3044654207276873
Energy: 2.1946464179127054
Energy: 2.1238884953648363
Energy: 2.022092057789928
Energy: 2.0222272379599593
Energy: 2.057441897108579
Energy: 2.322132295430731
Energy: 2.170165560548963
Energy: 2.081210063049881
Energy: 2.0220920577895947
Energy: 2.0222272379599593
Energy: 2.057441897108913
Energy: 2.322132295431065
Energy: 2.066384086260691
Energy: 2.0299431095324327
Energy: 2.1499839071926314
Energy: 2.178466872843875
Energy: 2.1403672843597756
Energy: 2.2334543713777264
Energy: 2.0663840862613587
Energy: 2.0299431095331
Energy: 2.1499839071926314
Energy: 2.1784668728445427
Energy: 2.063721736573523
Energy: 2.143182391232617
Energy: 2.142633830362458
Energy: 2.0636516069882083
Energy: 2.0059849103963825
Energy: 2.0057223125108994
Energy: 2.063721736573523
Energy: 2.143182391232617
Energy: 2.142633830362458
Energy: 2.0636516069882083
Energy: 2.1782759801473386
Energy: 2.1499946353990786
Energy: 2.0299008191710346
Energy: 2.0658198507113332
Energy: 2.209555795511385
Energy: 2.1402110686217464
Energy: 2.178275980094595
Energy: 2.1499946353990786
Energy: 2.0299008191720365
Energy: 2.0658198507106658
Energy: 2.3222160457141707
Energy: 2.057760172022793
Energy: 2.021712338682786
Energy: 2.0227829146873777
Energy: 2.081016455489745
Energy: 2.1690469717202117
Energy: 2.3222160457135033
Energy: 2.057760172022793
Energy: 2.021712338682786
Energy: 2.0227829146870437
Energy: 2.123996279026104
Energy: 2.194351994953698
Energy: 2.3044654207283553
Energy: 2.0210592932337725
Energy: 1.9682556963886426
Energy: 2.3943779808472074
Energy: 2.1239962790271054
Energy: 2.1943519949540313
Energy: 2.3044654207286888
Energy: 2.0210592932331046
Energy: 2.202567881426554
Energy: 2.2478511468112723
Energy: 2.130566923837268
Energy: 2.263583364160435
Energy: 2.064207212084724
Energy: 2.1377914999035763
Energy: 2.202567881426554
Energy: 2.247851146810939
Energy: 2.1305669238376015
Energy: 2.2635833641594334

minimum gb energy = 1.9487361776360428 eV
minimum distance =  2.43832079591435 Angstroms
sigma value = 293


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

Energy: 1.7936213669716616
Energy: 2.2096110907329845
Energy: 1.8149650644988868
Energy: 2.4850340409140554
Energy: 1.8148441296936653
Energy: 2.2095277956194277
Energy: 1.7936213669722652
Energy: 2.2096110907341915
Energy: 1.8149650644988868
Energy: 2.1330193511594473
Energy: 1.8153405646222331
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Energy: 2.4118228360686547
Energy: 1.8403242804942568
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Energy: 2.347769949991475
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Energy: 1.8144709396198428
Energy: 1.8403242804942568
Energy: 1.7930084949006782
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Energy: 1.7929306144483954
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Energy: 1.7936213669722652
Energy: 2.209611090733588
Energy: 2.5730940436187146
Energy: 2.017681426163614
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Energy: 2.487993444539911
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Energy: 2.4118228360686547
Energy: 2.573094043619318
Energy: 2.0176814261630103
Energy: 1.8153405646228364
Energy: 2.1352172411845447
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Energy: 1.8144709396204461
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Energy: 1.7930084949006782
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Energy: 1.8403242804936533
Energy: 1.7930084949006782
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Energy: 1.7927759730696007
Energy: 2.3478674367651333
Energy: 1.792964845167675
Energy: 1.8402491068466995
Energy: 1.8144311626495533
Energy: 1.8551095972253016
Energy: 1.7927759730696007
Energy: 2.3478674367657364
Energy: 1.792964845167675
Energy: 2.5731373452890316
Energy: 2.3822309042686696
Energy: 1.810721754244576
Energy: 2.4567398833693597
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Energy: 2.1412700587514455
Energy: 1.8107217542439724
Energy: 11.853509300504012
Energy: 1.8149650644982835
Energy: 2.188471157670978
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Energy: 1.7936213669716616
Energy: 2.2096110907323814
Energy: 1.8149650644994901
Energy: 2.2871382036218235
Energy: 1.8148441296936653
Energy: 2.2095277956194277
Energy: 1.8105427902840217
Energy: 2.4118228360686547
Energy: 2.5730940436187146
Energy: 2.0176814261630103
Energy: 1.8153405646222331
Energy: 2.4879934447895864
Energy: 1.8105427902846247
Energy: 2.4118228360686547
Energy: 2.573094043619318
Energy: 2.0176814261642173
Energy: 2.3477699499908713
Energy: 1.792930614448999
Energy: 1.8550194402906386
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Energy: 1.8403242804942568
Energy: 1.7930084949006782
Energy: 2.347769949991475
Energy: 1.792930614448999
Energy: 1.8550194402900348
Energy: 1.8144709396198428
Energy: 1.8402491068460962
Energy: 1.81443116264895
Energy: 1.8551095972198717
Energy: 1.792775973070204
Energy: 2.3478674367639267
Energy: 1.792964845167675
Energy: 1.8402491068460962
Energy: 1.81443116264895
Energy: 1.8551095972210783
Energy: 1.7927759730696007
Energy: 1.8154809912906826
Energy: 2.0174734085197112
Energy: 2.5731373452890316
Energy: 2.1412700587514455
Energy: 1.8107217542439724
Energy: 2.188921638675916
Energy: 1.8154809912906826
Energy: 2.0174734085191077
Energy: 2.573137345288428
Energy: 2.1412700587514455
Energy: 1.7936213669722652
Energy: 2.209611090733588
Energy: 1.8149650644982835
Energy: 2.1884711576721845
Energy: 1.8148441296942683
Energy: 2.209527795618824
Energy: 1.7936213669716616
Energy: 2.209611090733588
Energy: 1.8149650644988868
Energy: 2.3466629903620495
Energy: 1.8153405646228364
Energy: 2.5404583831520178
Energy: 1.8105427902840217
Energy: 2.4118228360686547
Energy: 2.5730940436187146
Energy: 2.017681426161804
Energy: 1.8153405646222331
Energy: 2.4879934451321217
Energy: 1.8105427902840217
Energy: 2.4118228360680507
Energy: 1.8403242804942568
Energy: 1.7930084949006782
Energy: 2.3477699499908713
Energy: 1.792930614448999
Energy: 1.8550194402906386
Energy: 1.8144709396204461
Energy: 1.8403242804942568
Energy: 1.7930084949006782
Energy: 2.347769949991475
Energy: 1.792930614448999
Energy: 2.3478674367651333
Energy: 1.7929648451670717
Energy: 1.8402491068460962
Energy: 1.81443116264895
Energy: 1.855109597224095
Energy: 1.792775973070204
Energy: 2.3478674367657364
Energy: 1.792964845167675
Energy: 1.8402491068454927
Energy: 1.8144311626495533
Energy: 1.810721754244576
Energy: 2.188865508943523
Energy: 1.8154809912906826
Energy: 2.017473408521521
Energy: 2.5731373452890316
Energy: 2.1412700587514455
Energy: 1.810721754244576
Energy: 2.188864518166992
Energy: 1.8154809912906826
Energy: 2.0174734085191077
Energy: 1.8148441296942683
Energy: 2.2095277956194277
Energy: 1.7936213669722652
Energy: 2.209611090733588
Energy: 1.8149650644988868
Energy: 2.188471157670978
Energy: 1.8148441296948719
Energy: 2.209527795618824
Energy: 1.7936213669716616
Energy: 2.209611090733588
Energy: 2.573094043619318
Energy: 2.017681426164821
Energy: 1.8153405646228364
Energy: 2.5404599742098632
Energy: 1.8105427902840217
Energy: 2.4118228360680507
Energy: 2.5730940436187146
Energy: 2.0176814261630103
Energy: 1.8153405646222331
Energy: 2.487993444972291

minimum gb energy = 1.7927759730696007 eV
minimum distance =  2.39584859849735 Angstroms
sigma value = 15


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

Energy: 2.584531746260701
Energy: 2.1078491714467877
Energy: 2.1059828148224295
Energy: 2.4214589468633423
Energy: 2.105986402134225
Energy: 2.107478172903643
Energy: 2.584531746260701
Energy: 2.1078491714495224
Energy: 2.1059828148224295
Energy: 2.380871885540288
Energy: 2.1815671143744413
Energy: 2.3333900163054544
Energy: 2.107182604832472
Energy: 2.074857874851642
Energy: 2.1352536900641255
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Energy: 2.116056780903153
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Energy: 2.062523808304157
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Energy: 2.102407036231397
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Energy: 2.2595897045335653
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Energy: 2.1665554587785887
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Energy: 2.2595897045335653
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Energy: 2.3450845343810545
Energy: 1.9916965033897858
Energy: 2.298257064170319
Energy: 2.093051814740088
Energy: 2.0862359477755223
Energy: 2.299572671397466
Energy: 2.1473369162325833
Energy: 1.9916965033897858
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Energy: 2.093051814740088
Energy: 2.0862359477755223
Energy: 2.09534617409347
Energy: 2.1222547258462114
Energy: 2.415977535631715
Energy: 2.1018463724451992
Energy: 2.020713208800182
Energy: 2.2769342714973675
Energy: 2.09534617409347
Energy: 2.1222547258462114
Energy: 2.415977535631715
Energy: 2.1018463724424636
Energy: 2.2431744269260396
Energy: 2.1188561737456655
Energy: 2.0611276251766393
Energy: 2.010569562251264
Energy: 2.10323767457639
Energy: 2.096527095237763
Energy: 2.24317442692057
Energy: 2.1188561737456655
Energy: 2.061127625173904
Energy: 2.010569562251264
Energy: 2.026708966123452
Energy: 2.163726043347697
Energy: 2.092413560026578
Energy: 2.2818720473215466
Energy: 2.102323460896363
Energy: 2.098759352100661
Energy: 2.026708966123452
Energy: 2.163726043347697
Energy: 2.092413560026578
Energy: 2.2818720473215466
Energy: 2.026867210025182
Energy: 2.131862397123025
Energy: 2.104897744535995
Energy: 2.078001830644207
Energy: 2.0546325532507814
Energy: 2.18765229689425
Energy: 2.026867210025182
Energy: 2.131862397123025
Energy: 2.104897744535995
Energy: 2.078001830644207
Energy: 2.2178936389343593
Energy: 1.9960118991003608
Energy: 2.17911619732243
Energy: 2.0087502010373286
Energy: 2.076358490726031
Energy: 2.1222854035478362
Energy: 2.2178936389343593
Energy: 1.9960118991003608
Energy: 2.17911619732243
Energy: 2.0087502010373286
Energy: 2.197244046870191
Energy: 2.108024337854628
Energy: 2.0137247486232024
Energy: 2.0917329732207812
Energy: 2.3675489197080006
Energy: 2.1195711874079026
Energy: 2.197244046870191
Energy: 2.108024337854628
Energy: 2.0137247486204672
Energy: 2.0917329732180465
Energy: 2.0432621170812544
Energy: 2.142680187480378
Energy: 2.2912039164675555
Energy: 2.0964927571445737
Energy: 2.0943543001783653
Energy: 2.299334147545417
Energy: 2.0432621170812544
Energy: 2.1426801874749573
Energy: 2.29120391646482
Energy: 2.096492757141839
Energy: 2.0953235220828708
Energy: 2.053734940743288
Energy: 2.106756288629672
Energy: 2.203160357120084
Energy: 2.1071969260991144
Energy: 2.273848560908112
Energy: 2.0953235220828708
Energy: 2.053734940743288
Energy: 2.106756288629672
Energy: 2.203160357117349
Energy: 2.101476114240362
Energy: 2.2637303938348894
Energy: 2.087817850067971
Energy: 2.0266418440598435
Energy: 2.0380051227811546
Energy: 2.1230743890926878
Energy: 2.101476114240362
Energy: 2.2637303938321542
Energy: 2.087817850067971
Energy: 2.0266418440571083
Energy: 2.0326919112462862
Energy: 2.0905013459623465
Energy: 2.296126044288714
Energy: 2.1161722190562804
Energy: 2.3206663690827236
Energy: 2.0812610197259205
Energy: 2.0326919112462862
Energy: 2.0905013459623465
Energy: 2.296126044285979
Energy: 2.1161722190562804
Energy: 2.20867637754718
Energy: 2.0056021319909547
Energy: 2.3055142014828265
Energy: 2.1144733481622624
Energy: 2.06195215845028
Energy: 2.0266965826028276
Energy: 2.20867637754718
Energy: 2.00560213199369
Energy: 2.3055142014828265
Energy: 2.1144733481622624
Energy: 2.108714494431561
Energy: 2.1532903433409385
Energy: 2.007439741016847
Energy: 2.035833211308814
Energy: 2.0320577570429332
Energy: 2.108653692329483
Energy: 2.108714494431561
Energy: 2.1532903433409385
Energy: 2.007439741016847
Energy: 2.035833211308814
Energy: 2.116475010618792
Energy: 2.1936453221036376
Energy: 2.0886294294516508
Energy: 2.0336536381519004
Energy: 2.06764677021824
Energy: 2.2477125138550687
Energy: 2.116475010618792
Energy: 2.1936453221063728
Energy: 2.0886294294516508
Energy: 2.033653638154635
Energy: 2.159302345807907
Energy: 2.0851381898033985
Energy: 2.2329593533573298
Energy: 2.279664628397867
Energy: 2.104615943553418
Energy: 2.0275702152799537
Energy: 2.159302345807907
Energy: 2.0851381898033985
Energy: 2.2329593533573298
Energy: 2.2796646283951323
Energy: 2.470505809727221
Energy: 2.106120420543323
Energy: 2.065734007952585
Energy: 2.1148003375976305
Energy: 2.292257894774833
Energy: 2.0900417760298264
Energy: 2.470505809729956
Energy: 2.106120420543323
Energy: 2.06573400794985
Energy: 2.1148003375976305
Energy: 2.098929991495907
Energy: 2.1372504156383334
Energy: 2.139566629521971
Energy: 2.0609020609560202
Energy: 2.2973163683566504
Energy: 2.0427232165955784
Energy: 2.098929991495907
Energy: 2.1372504156383334
Energy: 2.139566629521971
Energy: 2.060902060953285
Energy: 2.067496994018418
Energy: 2.0208390348833936
Energy: 2.1160700957885292
Energy: 2.2905312352605103
Energy: 2.086714016912892
Energy: 2.227789705437767
Energy: 2.067496994018418
Energy: 2.0208390348833936
Energy: 2.1160700957885292
Energy: 2.2905312352605103
Energy: 2.012165526161575
Energy: 2.066797690810731
Energy: 2.050109000325418
Energy: 2.1117917812911853
Energy: 2.0961795540788435
Energy: 2.0894196125463314
Energy: 2.0121655261643108
Energy: 2.066797690810731
Energy: 2.050109000325418
Energy: 2.1117917812911853
Energy: 2.074794600826282
Energy: 2.113035170699595
Energy: 2.165834710190981
Energy: 2.0266943773156907
Energy: 2.188603878427172
Energy: 2.006899169346958
Energy: 2.074794600826282
Energy: 2.113035170699595
Energy: 2.165834710190981
Energy: 2.0266943773156907

minimum gb energy = 1.9911481652437886 eV
minimum distance =  2.45017497780241 Angstroms
sigma value = 437


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

Energy: 2.3548632267164837
Energy: 2.2187977015542875
Energy: 2.095424201546224
Energy: 2.362655790746864
Energy: 2.141707237388477
Energy: 2.3361622471605985
Energy: 2.3548632267164837
Energy: 2.2187977015542875
Energy: 2.0954242015472206
Energy: 2.3626557907458676
Energy: 2.141544215275369
Energy: 2.3267776571879137
Energy: 2.1404727206150227
Energy: 2.0717953368168676
Energy: 2.1938669518435785
Energy: 2.1371813455919373
Energy: 2.1415442152743727
Energy: 2.3267776571879137
Energy: 2.1404727206150227
Energy: 2.0717953368158715
Energy: 1.9355135977695122
Energy: 2.0875501578397886
Energy: 2.043975681840878
Energy: 2.017477508751392
Energy: 2.0234109340551045
Energy: 2.2850721550994404
Energy: 1.935513597770509
Energy: 2.0875501578397886
Energy: 2.0439756823308772
Energy: 2.017477508752388
Energy: 2.2857774874883763
Energy: 2.1391892166772326
Energy: 2.4488359303666063
Energy: 2.051579371356368
Energy: 2.0290728520886128
Energy: 2.146281297750498
Energy: 2.285777487494355
Energy: 2.139189216676236
Energy: 2.4488359303685994
Energy: 2.051579371356368
Energy: 1.9748653544128312
Energy: 2.019851563426866
Energy: 2.0945823426762487
Energy: 2.2940757127977838
Energy: 2.0435166681596253
Energy: 2.325761071100891
Energy: 1.9748653544118349
Energy: 2.0270272988140183
Energy: 2.0945823426772447
Energy: 2.2940757127977838
Energy: 2.0027459066063384
Energy: 2.2433334638821614
Energy: 2.1140205726210226
Energy: 1.9633004728163475
Energy: 2.0566906427634883
Energy: 1.86876966347787
Energy: 2.0027459066053424
Energy: 2.2433334638821614
Energy: 2.1140205726210226
Energy: 1.9633004728143546
Energy: 2.43428239102058
Energy: 2.0427939521718237
Energy: 2.1579804008687065
Energy: 2.047603303216731
Energy: 2.071274487535471
Energy: 2.0870975885092293
Energy: 2.43428239102058
Energy: 2.042793952170827
Energy: 2.1579804008697034
Energy: 2.0476033032147383
Energy: 2.114850550459287
Energy: 2.159540865087414
Energy: 2.4117404456222964
Energy: 2.0516168081976445
Energy: 2.042633863920826
Energy: 2.139401588784124
Energy: 2.114850550458291
Energy: 2.159540865089407
Energy: 2.4117404456213
Energy: 2.051616808199637
Energy: 2.163477232761441
Energy: 2.0875803996919173
Energy: 2.437916334677903
Energy: 2.0365903474255704
Energy: 2.1033518369811004
Energy: 2.062564366788494
Energy: 2.163477232761441
Energy: 2.0875803996919173
Energy: 2.4379163346759105
Energy: 2.0365903474255704
Energy: 2.11857302188738
Energy: 2.019698534096025
Energy: 2.077998118251919
Energy: 1.9379730714168333
Energy: 2.1436953867773445
Energy: 2.33641123654735
Energy: 2.1185730218883765
Energy: 2.019698534096025
Energy: 2.0779981182529155
Energy: 1.9379730714178294
Energy: 2.3377353835160046
Energy: 2.155053306818512
Energy: 2.1424133717327987
Energy: 2.0638057544170954
Energy: 2.171162124624252
Energy: 2.042662490094651
Energy: 2.3377353835179977
Energy: 2.1550533068195086
Energy: 2.1424133717327987
Energy: 2.0638057544170954
Energy: 1.8452561524253044
Energy: 2.100906746754092
Energy: 2.3857411597051787
Energy: 2.0548521559974944
Energy: 2.0213387814095793
Energy: 2.159484533000545
Energy: 1.8452561524253044
Energy: 2.1009067467550886
Energy: 2.3857411597051787
Energy: 2.0548521559974944
Energy: 2.1188075927898167
Energy: 2.1389423373342695
Energy: 2.2186746917775078
Energy: 2.0568680350360564
Energy: 2.1095605365886296
Energy: 2.1445610953434624
Energy: 2.1188075927898167
Energy: 2.1389423373342695
Energy: 2.2186746917765108
Energy: 2.0568680350360564
Energy: 2.1368485356152647
Energy: 2.3143563906045106
Energy: 2.0929670166806074
Energy: 2.012736091609751
Energy: 2.1143851497801913
Energy: 2.0218555024930702
Energy: 2.1368485356152647
Energy: 2.3143563906055067
Energy: 2.092967016681604
Energy: 2.0127360916087547

minimum gb energy = 1.8452561524253044 eV
minimum distance =  2.45761504857604 Angstroms
sigma value = 33