Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.122759316663293
mass=55.845
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: 0.014457440400483296
Energy: 0.015078793335525625
Energy: 0.014734932766360736
Energy: 1.4282938724415224
Energy: 0.01473493276680834
Energy: 0.015078793335762591
Energy: 0.01445744040024633
Energy: 0.015078793335525625
Energy: 0.014734932767282272
Energy: 1.4282938724408114
Energy: 0.673693676840929
Energy: 0.015531273822801167
Energy: 0.01681792740690313
Energy: 0.6633611225998622
Energy: 0.016817927407140096
Energy: 0.015531273822801167
Energy: 0.6736936768411659
Energy: 0.015531273823038134
Energy: 0.01681792740690313
Energy: 0.6633611226012577
Energy: 0.014457440400483296
Energy: 0.015078793335762591
Energy: 0.014734932767045305
Energy: 1.4282938724380465
Energy: 0.014734932766360736
Energy: 0.015078793335288658
Energy: 0.01445744040024633
Energy: 0.015078793335078023
Energy: 0.014734932767519238
Energy: 1.4282938724408114
Energy: 0.6736936768406919
Energy: 0.015531273823038134
Energy: 0.01681792740761403
Energy: 0.6633611226012577
Energy: 0.016817927406666162
Energy: 0.015531273823038134
Energy: 0.6736936768406919
Energy: 0.015531273823038134
Energy: 0.016817927407140096
Energy: 0.6633611226010208
Energy: 0.014457440400483296
Energy: 0.015078793335078023
Energy: 0.014734932767045305
Energy: 1.4282938724382577
Energy: 0.014734932767045305
Energy: 0.015078793335288658
Energy: 0.01445744040024633
Energy: 0.015078793335078023
Energy: 0.014734932767282272
Energy: 1.4282938724426808
Energy: 0.6736936768406919
Energy: 0.015531273822801167
Energy: 0.016817927407140096
Energy: 0.6633611226014947
Energy: 0.016817927406666162
Energy: 0.015531273823038134
Energy: 0.673693676840455
Energy: 0.015531273823275099
Energy: 0.016817927406666162
Energy: 0.6633611226010208
Energy: 0.014457440400483296
Energy: 0.015078793335078023
Energy: 0.014734932767519238
Energy: 1.4282938724436023
Energy: 0.014734932767282272
Energy: 0.015078793335078023
Energy: 0.014457440400483296
Energy: 0.015078793335525625
Energy: 0.014734932766597701
Energy: 1.4282938724384944

minimum gb energy = 0.01445744040024633 eV
minimum distance =  2.28365573962789 Angstroms
sigma value = 3


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

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Energy: 1.4107754564782125
Energy: 1.4492839539410651
Energy: 1.398134080219626
Energy: 1.4372917231902225
Energy: 1.3453526804516638
Energy: 1.4957102485762848
Energy: 1.410775456454427
Energy: 1.4492839539359574
Energy: 1.3916408336565327
Energy: 1.3956040449580598
Energy: 1.2890680088347148
Energy: 1.4336096813807995
Energy: 1.5442576143513638
Energy: 1.3451762519984773
Energy: 1.3051834815163472
Energy: 1.3956040449569247
Energy: 1.289068008831877
Energy: 1.4336096813802321
Energy: 1.544257614350796
Energy: 1.3662472816300575
Energy: 1.305244061361163
Energy: 1.305019715578374
Energy: 1.3118907937312352
Energy: 1.412129152606984
Energy: 1.3669544132122793
Energy: 1.366247281632328
Energy: 1.3052440613560554
Energy: 1.305019715577239
Energy: 1.3118907937329376
Energy: 1.361169937770807
Energy: 1.2887856429524849
Energy: 1.2761847949263443
Energy: 1.3166029877835652
Energy: 1.2731413083018923
Energy: 1.318667032434133
Energy: 1.3611699377628612
Energy: 1.288785642951917
Energy: 1.2761847949252092
Energy: 1.3166029877841328
Energy: 1.2917298471072924
Energy: 1.288629607640502
Energy: 1.2750883879869417
Energy: 1.2809745512780297
Energy: 1.2898565098216737
Energy: 1.361652279805951
Energy: 1.2917298471072924
Energy: 1.2886296076399346
Energy: 1.2750883879869417
Energy: 1.2809745512780297
Energy: 1.4326586892181208
Energy: 1.323183569406229
Energy: 1.288348119840375
Energy: 1.2522648909038707
Energy: 1.3141298379539579
Energy: 1.3102111122409394
Energy: 1.4326586892186883
Energy: 1.3231835694067968
Energy: 1.2883481198409426
Energy: 1.2522648909095462
Energy: 1.309908213581725
Energy: 1.2778181797719268
Energy: 1.3465373951890047
Energy: 1.3293272366531728
Energy: 1.3518976247388201
Energy: 1.4599364176014065
Energy: 1.3099082135811575
Energy: 1.2778181797719268
Energy: 1.3465373951890047
Energy: 1.3293272366543079
Energy: 1.453390252565534
Energy: 1.4499717697793342
Energy: 1.3124927767440075
Energy: 1.3117177816878665
Energy: 1.3203476188167735
Energy: 1.38411648343685
Energy: 1.4533902525632638
Energy: 1.4499717697764962
Energy: 1.3013928876282796
Energy: 1.3117177816878665
Energy: 1.3349113108244883
Energy: 1.4281734614864394
Energy: 1.3505744822366406
Energy: 1.4323773172586558
Energy: 1.3234537737674177
Energy: 1.4071507863088517
Energy: 1.3349113108261907
Energy: 1.428173461488142
Energy: 1.3505744822411812
Energy: 1.432377317259791
Energy: 1.3505738039802726
Energy: 1.4083769523205996
Energy: 1.3977206830911768
Energy: 1.4757411683375843
Energy: 1.267195649137354
Energy: 1.4640189417768161
Energy: 1.398975510297309
Energy: 1.4083769523183294
Energy: 1.3977206830911768
Energy: 1.4757411683370167
Energy: 1.295966656724121
Energy: 1.341134837229195
Energy: 1.345615825892643
Energy: 1.3281746861237733
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Energy: 1.366021281891326
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Energy: 1.2931202348401099
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Energy: 1.3944982846618703
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Energy: 1.2968295333420108
Energy: 1.3170484966778042
Energy: 1.2775549719957129
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Energy: 1.404099580458538
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Energy: 1.3170484966772364
Energy: 1.277554971997983
Energy: 1.2814255972951294
Energy: 1.3227394455822938
Energy: 1.2995108491178555
Energy: 1.2910894949339278
Energy: 1.351078471622113
Energy: 1.2979835720732744
Energy: 1.281425597294562
Energy: 1.3227394455822938
Energy: 1.2995108491178555
Energy: 1.2910894949327925
Energy: 1.3340188470307166
Energy: 1.2989799424265562
Energy: 1.252002344111632
Energy: 1.314122747176096
Energy: 1.3136704762673868
Energy: 1.4280678233396642
Energy: 1.3340188470318515
Energy: 1.2989799424259885
Energy: 1.252002344111632
Energy: 1.3141227471749608
Energy: 1.311130758441252
Energy: 1.3432991121357354
Energy: 1.3464899606760974
Energy: 1.3982361967027541
Energy: 1.3370321277482233
Energy: 1.3143279284723914
Energy: 1.3111307584429548
Energy: 1.3432991121431133
Energy: 1.3464899606743945
Energy: 1.3982361967033214
Energy: 1.5040330285627925
Energy: 1.2869937812410417
Energy: 1.4092416730071513
Energy: 1.3602810030972818
Energy: 1.4645790436531863
Energy: 1.447287134382884
Energy: 1.504033028562225
Energy: 1.2869937812529604
Energy: 1.4092416730065838
Energy: 1.3230708168866638
Energy: 1.4573248080190304
Energy: 1.3816727272530442
Energy: 1.4290932272638397
Energy: 1.3534173097664965
Energy: 1.4155760959060224
Energy: 1.3335312552166605
Energy: 1.4573248080213006
Energy: 1.3816727272768812
Energy: 1.4290932272649748
Energy: 1.3534173097664965
Energy: 1.3116531459822842
Energy: 1.3267064661241117
Energy: 1.4374242153095826
Energy: 1.2622838108006076
Energy: 1.384445936232506
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Energy: 1.3116531459817167
Energy: 1.3267064661241117
Energy: 1.4374242153101504
Energy: 1.2622838108124748
Energy: 1.311569784709495
Energy: 1.4120761615070558
Energy: 1.2841475702073848
Energy: 1.2842135496939
Energy: 1.353351775295094
Energy: 1.3132353590873178
Energy: 1.3115697847049548
Energy: 1.4120761615076236
Energy: 1.2841475702062497
Energy: 1.284213549692765
Energy: 1.2589275105130115
Energy: 1.288352733931852
Energy: 1.3811052578009875
Energy: 1.4388549354643065
Energy: 1.3082040735572336
Energy: 1.293598691381647
Energy: 1.2589275105130115
Energy: 1.2883527339324194
Energy: 1.3811052578015548
Energy: 1.4393509941675768
Energy: 1.281537808520337
Energy: 1.2748618070417659
Energy: 1.2876095443262296
Energy: 1.2917596715584574
Energy: 1.3650390655677445
Energy: 1.373956286817428
Energy: 1.2815378085197695
Energy: 1.2748618070417659
Energy: 1.2876095443256619
Energy: 1.291759671559025
Energy: 1.3031864254053718
Energy: 1.2853311514616645
Energy: 1.2714731947447233
Energy: 1.4684960572323678
Energy: 1.3089299912957066
Energy: 1.274137376500907
Energy: 1.3031864254053718
Energy: 1.285331151461097
Energy: 1.2714731947441555
Energy: 1.4684960572323678
Energy: 1.308488489296262
Energy: 1.3039847196972656
Energy: 1.331580546448269
Energy: 1.3658315713874927
Energy: 1.401767970131213
Energy: 1.4337103374613869
Energy: 1.3084884892956943
Energy: 1.3039847196961305
Energy: 1.2938877779198394
Energy: 1.3658315713886278
Energy: 1.3859862446679168
Energy: 1.4284450871004537
Energy: 1.3278958478222904
Energy: 1.4398215107497216
Energy: 1.2994866159538503
Energy: 1.3317846010859578
Energy: 1.385986244667349
Energy: 1.4284450871078318
Energy: 1.3278958478234255
Energy: 1.4398215107485866
Energy: 1.3910792237826908
Energy: 1.438650522505794
Energy: 1.3477570603666322
Energy: 1.4660815375478722
Energy: 1.410775456394267
Energy: 1.4492839539427678
Energy: 1.3910792237826908
Energy: 1.4386505225052264
Energy: 1.347757060374578
Energy: 1.4660815375421965
Energy: 1.5442576143513638
Energy: 1.3451762520013149
Energy: 1.3051834815163472
Energy: 1.39560404496033
Energy: 1.2890680088313096
Energy: 1.4336096813813672
Energy: 1.544257614351931
Energy: 1.3451762520007475
Energy: 1.3051834815163472
Energy: 1.3956040449626002
Energy: 1.308488489296262
Energy: 1.412129152606984
Energy: 1.366954413212847
Energy: 1.3662472816283553
Energy: 1.3052440613645686
Energy: 1.305019715577239
Energy: 1.3084884892968291
Energy: 1.4121291526064166
Energy: 1.3669544132139821
Energy: 1.3662472816294904
Energy: 1.3166029877829977
Energy: 1.2731413083030274
Energy: 1.3186394466508402
Energy: 1.3611699377674018
Energy: 1.2887856429524849
Energy: 1.2761847949274796
Energy: 1.3166029877841328
Energy: 1.2731413083018923
Energy: 1.3186394466502724
Energy: 1.361169937766834

minimum gb energy = 1.252002344111632 eV
minimum distance =  2.21945628600416 Angstroms
sigma value = 75


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

Energy: 1.6158009053619737
Energy: 1.450292371083212
Energy: 1.428347910944988
Energy: 1.3514409092029305
Energy: 1.4339865641052039
Energy: 1.5497554667444189
Energy: 1.6158009053630813
Energy: 1.4502923710809967
Energy: 1.4283479109950876
Energy: 1.4413917385487247
Energy: 1.3991075425199802
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Energy: 1.4449459930496908
Energy: 1.544402577067273
Energy: 1.421314819089021
Energy: 1.4292976724418596
Energy: 1.3991075425199802
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Energy: 1.3491345876889127
Energy: 1.3478040264594384
Energy: 1.3319137446733682
Energy: 1.3403171807169754
Energy: 1.4235822349550311
Energy: 1.3853931678645304
Energy: 1.3491345876889127
Energy: 1.3478040264594384
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Energy: 1.477358366854652
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Energy: 1.3387528271528957
Energy: 1.3326752280562923
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Energy: 1.477358366854929
Energy: 1.3329996073830104
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Energy: 1.323964943402654
Energy: 1.3274285710552187
Energy: 1.4504190473001948
Energy: 1.4177735670056308
Energy: 1.4894849018692242
Energy: 1.3601626972168321
Energy: 1.3239649434021004
Energy: 1.3274285710557723
Energy: 1.450419047299641
Energy: 1.417773567004523
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Energy: 1.5084364113422022
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Energy: 1.4197342550729088
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Energy: 1.4263646998979418
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Energy: 1.3609807454622824
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Energy: 1.3609807454617284
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Energy: 1.3657073197710574
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Energy: 1.3345584900125465
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Energy: 1.329224372405084
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Energy: 1.4529052463261787
Energy: 1.4508326760348282
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Energy: 1.3587008880413554
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Energy: 1.448374323609904
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Energy: 1.448374323611289
Energy: 1.4739026028503697
Energy: 1.4778882128576827
Energy: 1.4389021382901699
Energy: 1.4194630428947321
Energy: 1.3845062512569
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minimum gb energy = 1.3239099552333338 eV
minimum distance =  2.20823980215751 Angstroms
sigma value = 105


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

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Energy: 1.4039245505996665
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Energy: 1.3799914461645044
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Energy: 1.3222629242659663
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Energy: 1.3858673354558362
Energy: 1.3944068633878977
Energy: 1.3223539791129733
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Energy: 1.3145567730394432
Energy: 1.4246913057778987
Energy: 1.4875231072092099
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Energy: 1.322738724531556
Energy: 1.499200730942443
Energy: 1.3145567730397556
Energy: 1.6393918075527572
Energy: 1.3756820723938936
Energy: 1.368360031132595
Energy: 1.3521473763763001
Energy: 1.3860489081912972
Energy: 1.3423204518296534
Energy: 1.6393918075527572
Energy: 1.3756820723929564
Energy: 1.3683600311322826
Energy: 1.3521473763766128
Energy: 1.4224124651625027
Energy: 1.3761329910588302
Energy: 1.5152601115168245
Energy: 1.3759920155686387
Energy: 1.423030805962865
Energy: 1.4335206824655702
Energy: 1.4224124651625027
Energy: 1.376132991056331
Energy: 1.5152601115161999
Energy: 1.3759920155670768
Energy: 1.41653073562023
Energy: 1.3430680342873174
Energy: 1.3777117980717262
Energy: 1.3249853364869124
Energy: 1.4252315034662693
Energy: 1.3740922230807626
Energy: 1.4165307356199177
Energy: 1.34306803428638
Energy: 1.3777117980714142
Energy: 1.3249853364872248
Energy: 1.328945448715831
Energy: 1.3411543681746931
Energy: 1.3866405569432605
Energy: 1.3146285680963492
Energy: 1.5141013269266577
Energy: 1.3108901020665242
Energy: 1.3289454487161432
Energy: 1.3411543681740683
Energy: 1.3866405569429479
Energy: 1.3146285680960368
Energy: 1.322508497847317
Energy: 1.40319328866236
Energy: 1.3534246962288807
Energy: 1.3800135750558278
Energy: 1.397429306938936
Energy: 1.3228287664491178
Energy: 1.3225084978476294
Energy: 1.4031932886629845
Energy: 1.353424696229193
Energy: 1.3800135750558278
Energy: 1.5197963957526488
Energy: 1.3899629387724817
Energy: 1.3498409752887586
Energy: 1.3825938955503076
Energy: 1.365263855641689
Energy: 1.5391674935398945
Energy: 1.5197963957545233
Energy: 1.3899629387727943
Energy: 1.3498409752887586
Energy: 1.3825938955499952

minimum gb energy = 1.2913522927187453 eV
minimum distance =  2.23104037977234 Angstroms
sigma value = 165


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

Energy: 1.3635679436467714
Energy: 1.6005844167634078
Energy: 1.3205764642359719
Energy: 1.4021353321335275
Energy: 1.3204413779541664
Energy: 1.6005656006222153
Energy: 1.3635679436478436
Energy: 1.6005844167634078
Energy: 1.3205764642348994
Energy: 1.396556639797617
Energy: 1.3172665421082843
Energy: 1.3246941392136065
Energy: 1.3245397231729468
Energy: 1.3695681688935535
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Energy: 1.3172665421082843
Energy: 1.3246941392200415
Energy: 1.3245397231740192
Energy: 1.3695681688924808
Energy: 1.2619898072614337
Energy: 1.4532046706519945
Energy: 1.3532022127103596
Energy: 1.25964931827506
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Energy: 1.3467163102056834
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Energy: 1.2823978820979316
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Energy: 1.320223182395839
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Energy: 1.2614193615110723
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Energy: 1.3594454207630755
Energy: 1.360297890103195
Energy: 1.3090567189262419
Energy: 1.3185122157671767
Energy: 1.326498695746411
Energy: 1.3392353483692176
Energy: 1.5992204469501297
Energy: 1.3602978901021225
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Energy: 1.3185122157671767
Energy: 1.3264986957453384
Energy: 1.3580909569989308
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Energy: 1.343782382444528
Energy: 1.4528964619126656
Energy: 1.3376644547094814
Energy: 1.2602676957632433
Energy: 1.3580909570000037
Energy: 1.2891865106883287
Energy: 1.3437823824456003
Energy: 1.4528964619126656
Energy: 1.2576453734111075
Energy: 1.3945050449883039
Energy: 1.3366640214659675
Energy: 1.2967228018705685
Energy: 1.2385647882831188
Energy: 1.2581563988987057
Energy: 1.2576453734121802
Energy: 1.3945050449883039
Energy: 1.3366640214659675
Energy: 1.2967228018716412
Energy: 1.2591993366727185
Energy: 1.3532022127049965
Energy: 1.4532748054625668
Energy: 1.2619964771437822
Energy: 1.3869566826073754
Energy: 1.3338402565515601
Energy: 1.2591993366727185
Energy: 1.3532022127028516
Energy: 1.4532748054625668
Energy: 1.2619964771437822
Energy: 1.3686587370205698
Energy: 1.3245249550292593
Energy: 1.3243870113936624
Energy: 1.317368658630693
Energy: 1.2587429664397212
Energy: 1.2385091230663627
Energy: 1.368658737022715
Energy: 1.3245249550303315
Energy: 1.3243870105659838
Energy: 1.317368658630693
Energy: 1.4425735370438637
Energy: 1.3204413779509487
Energy: 1.600565600623288
Energy: 1.3635679436499886
Energy: 1.6005844167623353
Energy: 1.3205764642359719
Energy: 1.4425735370438637
Energy: 1.3204413779541664
Energy: 1.6005656006222153
Energy: 1.3635679436478436

minimum gb energy = 1.2385091230663627 eV
minimum distance =  2.21361218041 Angstroms
sigma value = 41


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

Energy: 1.4690921808432946
Energy: 1.2439678618948522
Energy: 1.1950848693539258
Energy: 1.3702371539159055
Energy: 1.1950772740963918
Energy: 1.2797700604033135
Energy: 1.4690921808453752
Energy: 1.2439678619015104
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Energy: 1.2910689075305344
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Energy: 1.291068907529286
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Energy: 1.295264272206767
Energy: 1.1952557357730682
Energy: 1.3411815090676744
Energy: 1.2009797325790506
Energy: 1.1893562961340645
Energy: 1.1591054352126642
Energy: 1.2952642722071832
Energy: 1.1952557357739007
Energy: 1.3411815090672583
Energy: 1.2076690099351488
Energy: 1.2086293002740411
Energy: 1.3074705841285645
Energy: 1.1968427036227294
Energy: 1.1923693325555325
Energy: 1.3184587940469052
Energy: 1.2076690099347327
Energy: 1.208629300274457
Energy: 1.3074705841285645
Energy: 1.1968427036227294
Energy: 1.3138102625962544
Energy: 1.2539028888756651
Energy: 1.2438281833437235
Energy: 1.1794787849366257
Energy: 1.3376792360931609
Energy: 1.24946822565511
Energy: 1.31381026259459
Energy: 1.2539028888764976
Energy: 1.243828183343307
Energy: 1.179478784940371
Energy: 1.35840169457957
Energy: 1.262955123099011
Energy: 1.422440354289115
Energy: 1.1951328744346614
Energy: 1.3557904476796478
Energy: 1.1952944520040751
Energy: 1.3584016945799864
Energy: 1.2629551230665517
Energy: 1.4224403542874506
Energy: 1.1951328744350775
Energy: 1.1902442849751915
Energy: 1.254454465694807
Energy: 1.2443320721759172
Energy: 1.24880327967677
Energy: 1.340275552408731
Energy: 1.1984470823259994
Energy: 1.1902442849751915
Energy: 1.254454465694807
Energy: 1.2443320721800788
Energy: 1.2488032796771862
Energy: 1.3084884082397021
Energy: 1.209157766530658
Energy: 1.2092624702043044
Energy: 1.3612662776660185
Energy: 1.2025957421417168
Energy: 1.2023887558043664
Energy: 1.3084884082392858
Energy: 1.2091577665310742
Energy: 1.2092624702038883
Energy: 1.3612662776693474
Energy: 1.2477891299123705
Energy: 1.208629877893672
Energy: 1.2549576678680252
Energy: 1.1918493016137757
Energy: 1.1984548118850795
Energy: 1.383715450379699
Energy: 1.2477891299119543
Energy: 1.2086298779905964
Energy: 1.2549576678671928
Energy: 1.1918493016141918
Energy: 1.1951017621726825
Energy: 1.3959259126275267
Energy: 1.265089804978891
Energy: 1.2408536972364734
Energy: 1.1951546801548285
Energy: 1.3566707207155206
Energy: 1.1951017621730988
Energy: 1.3959259126275267
Energy: 1.2650898049976174
Energy: 1.240853697234809
Energy: 1.1950333716650872
Energy: 1.2435139354493774
Energy: 1.253998133931133
Energy: 1.2447157619752167
Energy: 1.249007107308788
Energy: 1.3376781908295352
Energy: 1.1950333716655033
Energy: 1.2435139354502096
Energy: 1.2539981339323814
Energy: 1.2447157619772973
Energy: 1.1961566482568224
Energy: 1.3538467395325613
Energy: 1.2233513438155919
Energy: 1.2080281042822631
Energy: 1.3356905961188412
Energy: 1.204670481544402
Energy: 1.196156648255574
Energy: 1.3538467395321454
Energy: 1.2233513438155919
Energy: 1.2080281042810148
Energy: 1.387253568728234
Energy: 1.195101952723027
Energy: 1.2083298526937107
Energy: 1.186878927914812
Energy: 1.1917831394452478
Energy: 1.200983695853506
Energy: 1.387253568728234
Energy: 1.1951019527226108
Energy: 1.2083298526920838
Energy: 1.1868789279156442
Energy: 1.3263706296366329
Energy: 1.2467129325977724
Energy: 1.3851715241547378
Energy: 1.3115288236107063
Energy: 1.246695687537054
Energy: 1.348686523989528
Energy: 1.3263706296370488
Energy: 1.246712932597356
Energy: 1.38517152415557
Energy: 1.3115288236132034
Energy: 1.2106141980054554
Energy: 1.1794546387649567
Energy: 1.3414777892511156
Energy: 1.294835145031475
Energy: 1.2440023434901692
Energy: 1.2512975638947736
Energy: 1.2106141980012943
Energy: 1.1794546387666212
Energy: 1.3414777892490346
Energy: 1.2948351450318911

minimum gb energy = 1.159105435211832 eV
minimum distance =  2.27122379800449 Angstroms
sigma value = 185


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

Energy: 1.3745330395915463
Energy: 1.1371192214857957
Energy: 1.3935923754790756
Energy: 1.5752974510637234
Energy: 1.393702516464271
Energy: 1.1842680746014311
Energy: 1.3745330395915463
Energy: 1.1371192214941934
Energy: 1.3935923754775936
Energy: 1.3116982663964052
Energy: 1.4199943047177301
Energy: 1.1385915797781356
Energy: 1.1144045474290203
Energy: 1.1361854716662356
Energy: 1.135892279493155
Energy: 1.2355354512832717
Energy: 1.419994304720694
Energy: 1.1385915797781356
Energy: 1.1144045474305024
Energy: 1.1361854716652477
Energy: 1.7094378844833804
Energy: 1.135919347199673
Energy: 1.4537386414793176
Energy: 1.3929916870883534
Energy: 1.1373754752006773
Energy: 1.1364782550405828
Energy: 1.7094378844823923
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Energy: 1.4537386414798117
Energy: 1.3929916870853896
Energy: 1.4725544902301975
Energy: 1.1371489155020318
Energy: 1.1363318829095717
Energy: 1.1150532088590381
Energy: 1.1151040257058453
Energy: 1.1149167067909553
Energy: 1.4725544902311853
Energy: 1.1371489155020318
Energy: 1.1363318829100657
Energy: 1.1150532088590381
Energy: 1.6871874171605212
Energy: 1.1144803814596496
Energy: 1.1378377858951279
Energy: 1.4214851781741296
Energy: 1.4250323391450992
Energy: 1.370655242341883
Energy: 1.6871874171620032
Energy: 1.1144803814626134
Energy: 1.1378377858951279
Energy: 1.4214851781701776
Energy: 1.1651541181024507
Energy: 1.3038892932118382
Energy: 1.2692554510294143
Energy: 1.1364679285071468
Energy: 1.1360003854125997
Energy: 1.2811947487312576
Energy: 1.274053874565301
Energy: 1.3038892932231998
Energy: 1.235166836947033
Energy: 1.1364679285071468
Energy: 1.1364599565171145
Energy: 1.2257793246885897
Energy: 1.3046999970293505
Energy: 1.3551051156335203
Energy: 1.2803741168355376
Energy: 1.1361557192738403
Energy: 1.1364599565171145
Energy: 1.1766288168976322
Energy: 1.3046999970135427
Energy: 1.2504670611087938
Energy: 1.4219084274687315
Energy: 1.1378825995584931
Energy: 1.1145025463367326
Energy: 1.6874162064867557
Energy: 1.370875404594371
Energy: 1.4275806108355829
Energy: 1.4219084274677432
Energy: 1.137882599559975
Energy: 1.1145025463352507
Energy: 1.68741620648478
Energy: 1.115042087116572
Energy: 1.1360551367134508
Energy: 1.1374510034557326
Energy: 1.4706026930778866
Energy: 1.114102210330424
Energy: 1.1152194307708425
Energy: 1.1150420871170659
Energy: 1.136055136712463
Energy: 1.1374510034552385
Energy: 1.4706026930754166
Energy: 1.3926214568813253
Energy: 1.4537386414842575
Energy: 1.1359031958370978
Energy: 1.7091654969737653
Energy: 1.1361317123615755
Energy: 1.137327820680026
Energy: 1.3926214568798434
Energy: 1.4537386414837636
Energy: 1.1359031958380856
Energy: 1.7091654969752472
Energy: 1.1361836938327128
Energy: 1.1143797190299032
Energy: 1.1383193391663553
Energy: 1.4197349217665067
Energy: 1.2355354512877177
Energy: 1.1359186957476624
Energy: 1.136183693832219
Energy: 1.1143797190294091
Energy: 1.1383193391668494
Energy: 1.4197349217704587
Energy: 1.3658317934941107
Energy: 1.393702516465753
Energy: 1.2281608499338303
Energy: 1.3745330395915463
Energy: 1.1371192214991332
Energy: 1.3935923754800636
Energy: 1.5365661649204945
Energy: 1.393702516465753
Energy: 1.137261573865386
Energy: 1.3745330395920405
Energy: 1.1361854716642599
Energy: 1.135892279493155
Energy: 1.2355354512842593
Energy: 1.419994304724152
Energy: 1.1385915797781356
Energy: 1.1144045474290203
Energy: 1.1361854716647537
Energy: 1.135892279493155
Energy: 1.2355354512847538
Energy: 1.4199943047236578
Energy: 1.3929916870883534
Energy: 1.1373754751991954
Energy: 1.1364782550400887
Energy: 1.7094378844838742
Energy: 1.1359193471991789
Energy: 1.4537386414773417
Energy: 1.3929916870868715
Energy: 1.1373754752001832
Energy: 1.1364782550400887
Energy: 1.7094378844838742
Energy: 1.1150532088590381
Energy: 1.1151040257088092
Energy: 1.1149167067963892
Energy: 1.4725544902326673
Energy: 1.1371489155025258
Energy: 1.1363318829100657
Energy: 1.1150532088590381
Energy: 1.1151040257088092
Energy: 1.1149167067909553
Energy: 1.4725544902326673
Energy: 1.4214851781765998
Energy: 1.4250323391411472
Energy: 1.3706552423423768
Energy: 1.6871874171605212
Energy: 1.1144803814636015
Energy: 1.1378377858926578
Energy: 1.4214851781770936
Energy: 1.4250323391436173
Energy: 1.370655242339413
Energy: 1.687187417161015
Energy: 1.1364679285071468
Energy: 1.136000385405684
Energy: 1.2811947487194018
Energy: 1.1651541181009686
Energy: 1.3038892932143082
Energy: 1.2351668369188755
Energy: 1.136467928506653
Energy: 1.136000385402226
Energy: 1.2811947487208837
Energy: 1.1773974406752048
Energy: 1.3156015584407097
Energy: 1.2803741168305978
Energy: 1.1361557193019975
Energy: 1.1364599565166205
Energy: 1.1766288168941743
Energy: 1.304699996998274
Energy: 1.315601558439722
Energy: 1.2803741168325737
Energy: 1.136155719295082
Energy: 1.1364599565171145
Energy: 1.6874162064867557
Energy: 1.370875404595359
Energy: 1.4275806108454177
Energy: 1.4219084274697191
Energy: 1.137882599559481
Energy: 1.1145025463362386
Energy: 1.6874162064872495
Energy: 1.3708754045938771
Energy: 1.4275806108404778
Energy: 1.4219084274692253
Energy: 1.4706026930764047
Energy: 1.1141022103407976
Energy: 1.1152194307663965
Energy: 1.115042087116572
Energy: 1.136055136712957
Energy: 1.1374510034552385
Energy: 1.4706026930734408
Energy: 1.1141022103368456
Energy: 1.1152194307683725
Energy: 1.115042087116572
Energy: 1.7091654969737653
Energy: 1.1361317123615755
Energy: 1.1373278206805197
Energy: 1.3926214568808313
Energy: 1.4537386414837636
Energy: 1.1359031958370978
Energy: 1.7091654969737653
Energy: 1.1361317123645394
Energy: 1.1373278206795319
Energy: 1.3926214568837951
Energy: 1.4197349217714466
Energy: 1.2355354512857415
Energy: 1.1359186957486505
Energy: 1.1361836938332068
Energy: 1.114379719028915
Energy: 1.1383193391668494
Energy: 1.4197349217758926
Energy: 1.2355354512857415
Energy: 1.1359186957481564
Energy: 1.1361836938332068
Energy: 1.3745330395920405
Energy: 1.1371192214872776
Energy: 1.3935923754815456
Energy: 1.3134133662390726
Energy: 1.3937025164662469
Energy: 1.1372615738322887
Energy: 1.3745330395920405
Energy: 1.1371192214897474
Energy: 1.3935923754815456
Energy: 1.3134133661694651
Energy: 1.419994304719212
Energy: 1.1385915797781356
Energy: 1.1144045474319844
Energy: 1.1361854716647537
Energy: 1.135892279493155
Energy: 1.2355354512827774
Energy: 1.419994304719212
Energy: 1.1385915797786297
Energy: 1.1144045474309965
Energy: 1.1361854716647537
Energy: 1.7094378844833804
Energy: 1.135919347198685
Energy: 1.4537386414773417
Energy: 1.3929916870932932
Energy: 1.1373754751991954
Energy: 1.1364782550405828
Energy: 1.7094378844838742
Energy: 1.135919347198685
Energy: 1.4537386414788236
Energy: 1.3929916870888472
Energy: 1.4725544902331613
Energy: 1.1371489155020318
Energy: 1.1363318829095717
Energy: 1.1150532088590381
Energy: 1.115104025710291
Energy: 1.1149167067761359
Energy: 1.4725544902316794
Energy: 1.1371489155025258
Energy: 1.1363318829095717
Energy: 1.1150532088590381
Energy: 1.687187417161015
Energy: 1.1144803814631075
Energy: 1.1378377858946338
Energy: 1.4214851780906907
Energy: 1.425032339141641
Energy: 1.3706552423408949
Energy: 1.6871874171605212
Energy: 1.1144803814606374
Energy: 1.1378377858941398
Energy: 1.4214851781696838
Energy: 1.138639411765799
Energy: 1.303889293213814
Energy: 1.2351668369183815
Energy: 1.1364679285071468
Energy: 1.13600038541013
Energy: 1.2811947486507824
Energy: 1.138639411768763
Energy: 1.3038892932192478
Energy: 1.2351668369238156
Energy: 1.1364679285071468
Energy: 1.1364599565166205
Energy: 1.1766288168921986
Energy: 1.304699997007615
Energy: 1.4245549290894581
Energy: 1.280374116827634
Energy: 1.1361557192753224
Energy: 1.1364599565171145
Energy: 1.1766288168966443
Energy: 1.304699997001238
Energy: 1.424554929092916
Energy: 1.4219084274707072
Energy: 1.1378825995550352
Energy: 1.1145025463362386
Energy: 1.6874162064867557
Energy: 1.3708754045904192
Energy: 1.4275806108449236
Energy: 1.4219084274707072
Energy: 1.1378825995570112
Energy: 1.1145025463357447
Energy: 1.6874162064877438
Energy: 1.115042087116572
Energy: 1.1360551367144391
Energy: 1.1374510034557326
Energy: 1.4706026930714646
Energy: 1.1141022103259781
Energy: 1.1152194307668906
Energy: 1.115042087116078
Energy: 1.1360551367139449
Energy: 1.1374510034552385
Energy: 1.470602693071959
Energy: 1.3926214568729276
Energy: 1.4537386414817874
Energy: 1.1359031958390737
Energy: 1.7091654969737653
Energy: 1.1361317123615755
Energy: 1.1373278206829898
Energy: 1.3926214568714455
Energy: 1.4537386414812936
Energy: 1.1359031958405559
Energy: 1.7091654969727776
Energy: 1.1361836938327128
Energy: 1.1143797190303522
Energy: 1.1383193391673434
Energy: 1.4197349217714466
Energy: 1.2355354512867296
Energy: 1.1359186957476624
Energy: 1.1361836938337009
Energy: 1.1143797190274332
Energy: 1.1383193391673434
Energy: 1.4197349217684827

minimum gb energy = 1.1141022103259781 eV
minimum distance =  2.18334429610969 Angstroms
sigma value = 33


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

Energy: 1.3870480579403035
Energy: 1.4421656235591767
Energy: 1.3848866886341917
Energy: 1.5619578088245076
Energy: 1.3844700881086007
Energy: 1.4398923734797664
Energy: 1.3870480579400324
Energy: 1.442165623560533
Energy: 1.3848866886339206
Energy: 1.3839991498301714
Energy: 1.4946612234132155
Energy: 1.3699358673646838
Energy: 1.1993786793278303
Energy: 1.298967741974525
Energy: 1.2281353533435437
Energy: 1.2684965626568419
Energy: 1.494661223412944
Energy: 1.369935867363624
Energy: 1.1993786796788668
Energy: 1.298967741974525
Energy: 1.3938949894843806
Energy: 1.207431267834806
Energy: 1.4301178701944366
Energy: 1.5245214573431247
Energy: 1.232577731511367
Energy: 1.2705696046527355
Energy: 1.393894989484652
Energy: 1.2074312678356196
Energy: 1.4301178701938944
Energy: 1.52452145734204
Energy: 1.3145039139140944
Energy: 1.204544057580024
Energy: 1.2859686796307848
Energy: 1.365906209540218
Energy: 1.400382810189344
Energy: 1.4568270709363083
Energy: 1.3145039139146366
Energy: 1.2045440575794817
Energy: 1.2859686796307848
Energy: 1.3659062095394041
Energy: 1.2866880326735337
Energy: 1.207465844046346
Energy: 1.3311683232457088
Energy: 1.4566792863393394
Energy: 1.3830905558792836
Energy: 1.3628432289460843
Energy: 1.2866880326743473
Energy: 1.2074658440479733
Energy: 1.3311683232459803
Energy: 1.4566792863396107
Energy: 1.5348969021078158
Energy: 1.20401301631222
Energy: 1.3348338005468254
Energy: 1.2712896798807056
Energy: 1.2324845938604452
Energy: 1.518105749811206
Energy: 1.5348969021070022
Energy: 1.2040130163116776
Energy: 1.3348338005487235
Energy: 1.271289679880434
Energy: 1.3698016456188735
Energy: 1.3002043311405211
Energy: 1.4938784916661918
Energy: 1.2801368073883264
Energy: 1.228817238674489
Energy: 1.2992820589428182
Energy: 1.3698016456191449
Energy: 1.3002043311489277
Energy: 1.4938784916656493
Energy: 1.2801368073888688
Energy: 1.3842243957433578
Energy: 1.43495136865984
Energy: 1.3548230108764483
Energy: 1.4747295872956154
Energy: 1.386833038801292
Energy: 1.298513003464538
Energy: 1.3842243957428153
Energy: 1.434951368660925
Energy: 1.354823010877262
Energy: 1.4747295872958865
Energy: 1.2281917164089178
Energy: 1.269843970865091
Energy: 1.4937008124405136
Energy: 1.3690675998251634
Energy: 1.1990082288375328
Energy: 1.2994692006779365
Energy: 1.2281917164094602
Energy: 1.2698439708640064
Energy: 1.4937008124405136
Energy: 1.369067599824621
Energy: 1.2326416558186706
Energy: 1.2705420352713697
Energy: 1.3958909945799798
Energy: 1.203525390428499
Energy: 1.4222901007705377
Energy: 1.5257879241976742
Energy: 1.232641655819484
Energy: 1.2705420352708274
Energy: 1.395890994579437
Energy: 1.203525390427143
Energy: 1.470043029732415
Energy: 1.372117166041375
Energy: 1.396806025718754
Energy: 1.2044804818849708
Energy: 1.2864383306553127
Energy: 1.3644378965013135
Energy: 1.4700430297318725
Energy: 1.3721171660405613
Energy: 1.3968060257209234
Energy: 1.2044804818849708
Energy: 1.3827671905270913
Energy: 1.362781043715685
Energy: 1.2868954969677446
Energy: 1.203757131413692
Energy: 1.3184057241407743
Energy: 1.4581190588348822
Energy: 1.3827671905262777
Energy: 1.3627810437151426
Energy: 1.2868954969672022
Energy: 1.203757131413692
Energy: 1.233588998576679
Energy: 1.3720770827712778
Energy: 1.523858823874904
Energy: 1.2043481492580568
Energy: 1.2946965755755258
Energy: 1.2712232007970372
Energy: 1.233588998576679
Energy: 1.3720770827734476
Energy: 1.5238588238757174
Energy: 1.2043481492588703
Energy: 1.2323150783701002
Energy: 1.3001610158128905
Energy: 1.3755613566032363
Energy: 1.2997017389860668
Energy: 1.4938954036711904
Energy: 1.271396690686965
Energy: 1.2323150783703714
Energy: 1.3001610158128905
Energy: 1.3755613566035076
Energy: 1.2997017389904058
Energy: 1.2309521349903232
Energy: 1.2987723902086952
Energy: 1.3847618244597446
Energy: 1.4337089625381325
Energy: 1.3552550417677054
Energy: 1.474091480422801
Energy: 1.2309521350334172
Energy: 1.2987723902100508
Energy: 1.384761824458931
Energy: 1.43370896253759
Energy: 1.1994824545649827
Energy: 1.2994481201075836
Energy: 1.2280007273242415
Energy: 1.2701623111810763
Energy: 1.37745431904963
Energy: 1.4046308801980358
Energy: 1.199482454565254
Energy: 1.2994481201086683
Energy: 1.2280007273228855
Energy: 1.2701623111813474
Energy: 1.2832101887177503
Energy: 1.4580888009832447
Energy: 1.2319837329046528
Energy: 1.271274003108481
Energy: 1.259907244681142
Energy: 1.2033259043826294
Energy: 1.2832101887196485
Energy: 1.4580888009840582
Energy: 1.2319837329060086
Energy: 1.271274003108481
Energy: 1.2864128198388292
Energy: 1.3637968104963405
Energy: 1.469761199059735
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Energy: 1.3711915789983944
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Energy: 1.2552137266038543
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Energy: 1.398596762138493
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Energy: 1.2964174373291517
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Energy: 1.2698148403777516
Energy: 1.2870385661156967
Energy: 1.2770021670078031
Energy: 1.3344729788939442
Energy: 1.2705958687685677
Energy: 1.222886828611015
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Energy: 1.528044923500933
Energy: 1.286233168244067
Energy: 1.3626263637779035
Energy: 1.469006793130098
Energy: 1.3624049102828657

minimum gb energy = 1.1990082288375328 eV
minimum distance =  2.19395149190142 Angstroms
sigma value = 219


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

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Energy: 1.2213253390244978
Energy: 1.18663296938757
Energy: 1.4380261164400923
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Energy: 1.1865502418967482
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Energy: 1.2213330834209206
Energy: 1.186550241892975
Energy: 1.239529951796244
Energy: 1.1868007308047746
Energy: 1.3637575445634718

minimum gb energy = 1.1827355765480256 eV
minimum distance =  2.30963505562829 Angstroms
sigma value = 15


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

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Energy: 1.4427700966751758
Energy: 1.4141471979677755
Energy: 1.407170370469213
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minimum gb energy = 1.304186692857665 eV
minimum distance =  2.22385255202896 Angstroms
sigma value = 293


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

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Energy: 1.3964237137263065
Energy: 1.439832775067889
Energy: 1.299262372423785
Energy: 1.356032818550627
Energy: 1.3775385365946826
Energy: 1.3135816344219553
Energy: 1.4202634020281764
Energy: 1.3884175420587992
Energy: 1.3568894765967718
Energy: 1.3744383933028486
Energy: 1.5063476720611972
Energy: 1.313581634420739
Energy: 1.420263402027771
Energy: 1.3884175420592046
Energy: 1.3568894765967718
Energy: 1.5179401169046267
Energy: 1.4327279977280953
Energy: 1.374809585097899
Energy: 1.5815823119902155
Energy: 1.3779107323016584
Energy: 1.4329412786242273
Energy: 1.5179401169058429
Energy: 1.4327279977212035
Energy: 1.3748095850970883
Energy: 1.5201205521567513
Energy: 1.31380389837388
Energy: 1.5062301656660089
Energy: 1.375784335442261
Energy: 1.357081733601814
Energy: 1.388418874889079
Energy: 1.4207928558993608
Energy: 1.3138038983759068
Energy: 1.5062301656635766
Energy: 1.3757843354410448
Energy: 1.357081733601814
Energy: 1.439765821610396
Energy: 1.3957292299312005
Energy: 1.4230099551259343
Energy: 1.3776661816263365
Energy: 1.3890681363170077
Energy: 1.2992617642987483
Energy: 1.439765821610396
Energy: 1.3957292299320114
Energy: 1.4230099551259343
Energy: 1.3776661816230935
Energy: 1.3943312225062634
Energy: 1.3970611096705026
Energy: 1.5074971061511653
Energy: 1.4340025118795703
Energy: 1.377740479114319
Energy: 1.3880389140833391
Energy: 1.394331222505047
Energy: 1.3970611096692866
Energy: 1.5074971061523816
Energy: 1.434002511876327
Energy: 1.339724466172768
Energy: 1.4803727722818978
Energy: 1.41607957566382
Energy: 1.3882796687248866
Energy: 1.5701798701247962
Energy: 1.3125727994543304
Energy: 1.339724466172768
Energy: 1.4803727722827087
Energy: 1.41607957566382
Energy: 1.3882796687244812
Energy: 1.3471614764893376
Energy: 1.363949954655228
Energy: 1.352850258756191
Energy: 1.52280917348646
Energy: 1.382543867467661
Energy: 1.4125627411855195
Energy: 1.3471614764917699
Energy: 1.3639499546564073
Energy: 1.3528502587582183
Energy: 1.5228091734868652
Energy: 1.379992234614876
Energy: 1.4267761575321893
Energy: 1.4241273907848737
Energy: 1.4758798845372205
Energy: 1.406508161163167
Energy: 1.482871312614329
Energy: 1.379992234614876
Energy: 1.4267761575334055
Energy: 1.4241273907848737
Energy: 1.4758798845392478
Energy: 1.3879819300727327
Energy: 1.4030751025478128
Energy: 1.403081813500209
Energy: 1.3882301287606469
Energy: 1.344920062191766
Energy: 1.344871463170045
Energy: 1.3879819300727327
Energy: 1.403075102548218
Energy: 1.4030818134998035
Energy: 1.3882301287610521
Energy: 1.4760564687290778
Energy: 1.4250447076784485
Energy: 1.380333082132929
Energy: 1.3801341992339369
Energy: 1.482840330510005
Energy: 1.407354195997357
Energy: 1.4760564687278617
Energy: 1.4250447076784485
Energy: 1.3803330821357669
Energy: 1.3801341992343426
Energy: 1.522498308175396
Energy: 1.3527465095100977
Energy: 1.363950602176531
Energy: 1.3472425784272688
Energy: 1.4128560687165963
Energy: 1.3827003960620403
Energy: 1.5224983081741799
Energy: 1.352746509509287
Energy: 1.363950602176531
Energy: 1.3472425784325388
Energy: 1.3909430427914513
Energy: 1.4162545394975408
Energy: 1.480372772282303
Energy: 1.3394877588052743
Energy: 1.312325260876854
Energy: 1.570179870124391
Energy: 1.3909430427894613
Energy: 1.416254539497946
Energy: 1.4803727722818978
Energy: 1.3394877588064904
Energy: 1.4373869773332095
Energy: 1.5077985699191412
Energy: 1.3977379005061847
Energy: 1.394765716246066
Energy: 1.3883884209282462
Energy: 1.378154501513369
Energy: 1.4373869773348311
Energy: 1.5077985699199519
Energy: 1.3977379005061847
Energy: 1.3947657162379952

minimum gb energy = 1.2992617642983428 eV
minimum distance =  2.20995299293724 Angstroms
sigma value = 293


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

Energy: 1.1247726793327935
Energy: 1.3834515923299784
Energy: 1.1549286063150475
Energy: 1.3978870888784278
Energy: 1.154934251793942
Energy: 1.3759060588342444
Energy: 1.1247726793327935
Energy: 1.3834515923695443
Energy: 1.154928606318711
Energy: 1.4398565540476866
Energy: 1.230598517847877
Energy: 1.5919408607576864
Energy: 1.154944005423604
Energy: 1.4032152239574078
Energy: 1.5698856773266179
Energy: 1.1554740728685666
Energy: 1.2305985178486099
Energy: 1.4849010225178647
Energy: 1.154944005418475
Energy: 1.547429077019494
Energy: 1.1982465592726959
Energy: 1.120759781818748
Energy: 1.5041598596971368
Energy: 1.1208613606841453
Energy: 1.2777926452295907
Energy: 1.1574427638918572
Energy: 1.1982465592719633
Energy: 1.1207597818231443
Energy: 1.5041598596986023
Energy: 1.1208613606907394
Energy: 1.5041490116605103
Energy: 1.1207548961410796
Energy: 1.1981765736295014
Energy: 1.157437653564459
Energy: 1.2303574304332245
Energy: 1.1208635546129284
Energy: 1.5041490116597778
Energy: 1.120754896142545
Energy: 1.1981765736309666
Energy: 1.157437653564459
Energy: 1.1550453162452732
Energy: 1.6846942801272102
Energy: 1.2305960456528517
Energy: 1.1555629445793485
Energy: 1.5697882164793089
Energy: 1.3814561632257971
Energy: 1.1550453162474714
Energy: 1.727522892666845
Energy: 1.2305960456528517
Energy: 1.155562944577883
Energy: 1.1549342517902785
Energy: 1.4405793548809662
Energy: 1.1247726793320607
Energy: 1.3834515920516852
Energy: 1.1549286063157802
Energy: 1.4848880740815011
Energy: 1.1549342517902785
Energy: 1.3759060566451662
Energy: 1.1247726793320607
Energy: 1.3834515920289714
Energy: 1.5698856773258851
Energy: 1.1554740728685666
Energy: 1.230598517845679
Energy: 1.7356174094703911
Energy: 1.1549440054199405
Energy: 1.5439718079044984
Energy: 1.5698856773258851
Energy: 1.1554740728685666
Energy: 1.2305985178471446
Energy: 1.48490102251933
Energy: 1.277792645228858
Energy: 1.1574427638933227
Energy: 1.198246559265369
Energy: 1.1207597818158173
Energy: 1.504159859699335
Energy: 1.1208613606848778
Energy: 1.2777926452317887
Energy: 1.1574427638925902
Energy: 1.198246559269765
Energy: 1.1207597818172828
Energy: 1.2303574304324918
Energy: 1.1208635546173247
Energy: 1.5041490116583123
Energy: 1.1207548961447433
Energy: 1.1981765736273366
Energy: 1.157437653564459
Energy: 1.2303574304310265
Energy: 1.1208635546114631
Energy: 1.5041490116597778
Energy: 1.120754896142545
Energy: 1.5697882164763783
Energy: 1.4314725899384781
Energy: 1.1550453162511347
Energy: 1.6080218361123597
Energy: 1.230596045654317
Energy: 1.1555629445676252
Energy: 1.5697882164793089
Energy: 1.3814561632221338
Energy: 1.1550453162445407
Energy: 1.727522892666845
Energy: 1.1549286063179784
Energy: 1.5177531031119
Energy: 1.1549342517902785
Energy: 1.469230326392272
Energy: 1.1247726793320607
Energy: 1.3834515922420874
Energy: 1.154928606316513
Energy: 1.4396143825393724
Energy: 1.1549342517932093
Energy: 1.3759060561530243
Energy: 1.1549440054206732
Energy: 1.5439718079044984
Energy: 1.5698856773266179
Energy: 1.155474072875161
Energy: 1.2305985178522734
Energy: 1.6662654698553498
Energy: 1.1549440054214057
Energy: 1.547429077016563
Energy: 1.5698856773258851
Energy: 1.1554740728700321
Energy: 1.5041598597008006
Energy: 1.120861360687076
Energy: 1.2777926452266597
Energy: 1.1574427638925902
Energy: 1.1982465592785576
Energy: 1.1207597818224115
Energy: 1.504159859704464
Energy: 1.1208613606892741
Energy: 1.2777926452303234
Energy: 1.1574427638925902
Energy: 1.1981765736360954
Energy: 1.157437653563726
Energy: 1.2303574304324918
Energy: 1.1208635546085324
Energy: 1.504149011659045
Energy: 1.1207548961366836
Energy: 1.19817657363463
Energy: 1.157437653564459
Energy: 1.2303574304288283
Energy: 1.1208635546114631
Energy: 1.2305960456521188
Energy: 1.1555629445690907
Energy: 1.5697882164763783
Energy: 1.3814561632279954
Energy: 1.1550453162482042
Energy: 1.4867080603449938
Energy: 1.2305960456528517
Energy: 1.155562944577883
Energy: 1.5697882164793089
Energy: 1.3814561632309261
Energy: 1.1247726793320607
Energy: 1.383451591986508
Energy: 1.1549286063216417
Energy: 1.4633147807346514
Energy: 1.154934251791011
Energy: 1.3759060552726834
Energy: 1.1247726793327935
Energy: 1.383451592141774
Energy: 1.154928606316513
Energy: 1.3978870888894184
Energy: 1.2305985178493426
Energy: 1.7879461215217043
Energy: 1.1549440054243367
Energy: 1.5474290770180286
Energy: 1.5698856773251526
Energy: 1.1554740728692992
Energy: 1.2305985178486099
Energy: 1.7356174094703911
Energy: 1.1549440054272675
Energy: 1.5474290770180286
Energy: 1.1982465592682996
Energy: 1.1207597818172828
Energy: 1.5041598596986023
Energy: 1.120861360687076
Energy: 1.277792645236185
Energy: 1.1574427638933227
Energy: 1.1982465592668345
Energy: 1.1207597818224115
Energy: 1.5041598597029986
Energy: 1.1208613606922049
Energy: 1.5041490116605103
Energy: 1.1207548961418126
Energy: 1.1981765736331647
Energy: 1.157437653564459
Energy: 1.2303574304332245
Energy: 1.120863554612196
Energy: 1.5041490116605103
Energy: 1.1207548961440106
Energy: 1.1981765736316992
Energy: 1.157437653563726
Energy: 1.1550453162482042
Energy: 1.486708060347192
Energy: 1.230596045654317
Energy: 1.1555629445705562
Energy: 1.5697882164793089
Energy: 1.3814561632250644
Energy: 1.1550453162482042
Energy: 1.5028522309511072
Energy: 1.2305960456528517
Energy: 1.1555629445764177
Energy: 1.1549342517880803
Energy: 1.3759060554045364
Energy: 1.1247726793320607
Energy: 1.3834515921410413
Energy: 1.1549286063172455
Energy: 1.5145300347436592
Energy: 1.1549342517924766
Energy: 1.3759060553459204
Energy: 1.1247726793320607
Energy: 1.383451592209882
Energy: 1.5698856773244196
Energy: 1.1554740728722301
Energy: 1.2305985178500753
Energy: 1.7879461215224373
Energy: 1.1549440054199405
Energy: 1.5474290770180286
Energy: 1.5698856773266179
Energy: 1.1554740728656356
Energy: 1.2305985178464116
Energy: 1.7356174094703911

minimum gb energy = 1.1207548961366836 eV
minimum distance =  2.23490467097802 Angstroms
sigma value = 15


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

Energy: 1.5635655116397809
Energy: 1.3310513897318812
Energy: 1.383813155132277
Energy: 1.338950614054727
Energy: 1.3838158630563309
Energy: 1.331051983384537
Energy: 1.5635655116391167
Energy: 1.331051389733542
Energy: 1.383813155132277
Energy: 1.353892374977418
Energy: 1.3918565294086942
Energy: 1.516212205246362
Energy: 1.3824781287881254
Energy: 1.3626081515143957
Energy: 1.3775758819379798
Energy: 1.3218733774444722
Energy: 1.3918565294106873
Energy: 1.5162122052476905
Energy: 1.382478128789122
Energy: 1.362608151514728
Energy: 1.4259160506138076
Energy: 1.3289433329508311
Energy: 1.4479800071412718
Energy: 1.3675183277534
Energy: 1.426629432486902
Energy: 1.405083104554301
Energy: 1.4259160506131432
Energy: 1.3289433329508311
Energy: 1.4479800071432647
Energy: 1.3675183277543963
Energy: 1.4697387214766748
Energy: 1.3357649065727915
Energy: 1.3767723433100063
Energy: 1.3263552089653619
Energy: 1.4080309840520766
Energy: 1.321364487155855
Energy: 1.4697387214773392
Energy: 1.3357649065734556
Energy: 1.3767723433086778
Energy: 1.3263552089640334
Energy: 1.3696337937968364
Energy: 1.4405127346204747
Energy: 1.3251267595348868
Energy: 1.3937755976817214
Energy: 1.3120257806003393
Energy: 1.3295401915327227
Energy: 1.369633793797833
Energy: 1.4405127346164892
Energy: 1.3251267595338903
Energy: 1.3937755976840465
Energy: 1.3578022894918769
Energy: 1.4375045507052862
Energy: 1.395386109604655
Energy: 1.3687239831832632
Energy: 1.3330388672466067
Energy: 1.4791319164803447
Energy: 1.3578022894905486
Energy: 1.4375045506959865
Energy: 1.395386109625579
Energy: 1.3687239831859201
Energy: 1.4657414622898648
Energy: 1.283934979641585
Energy: 1.2877650395744615
Energy: 1.3842809506865004
Energy: 1.376085997695302
Energy: 1.387132136685079
Energy: 1.465741462290861
Energy: 1.283934979644574
Energy: 1.2877650395797755
Energy: 1.384280950687497
Energy: 1.334823490086381
Energy: 1.5159437394738853
Energy: 1.383564271666798
Energy: 1.3473237360744355
Energy: 1.3139011435919754
Energy: 1.3840882932680538
Energy: 1.3348234900883738
Energy: 1.5159437394768742
Energy: 1.3835642716654697
Energy: 1.3473237360717782
Energy: 1.3455097598057284
Energy: 1.4533635483190406
Energy: 1.4621400698125184
Energy: 1.3728254174857435
Energy: 1.33123911779453
Energy: 1.330213548578803
Energy: 1.3455097598057284
Energy: 1.4533635483104053
Energy: 1.4621400698118543
Energy: 1.3728254174860754
Energy: 1.3505969145251429
Energy: 1.3883767932084263
Energy: 1.3364843547919996
Energy: 1.4848794323390233
Energy: 1.3665826475429734
Energy: 1.3620428408561032
Energy: 1.350596914522818
Energy: 1.3883767932094229
Energy: 1.336484354800303
Energy: 1.4848794323396877
Energy: 1.3302875055663501
Energy: 1.4017479748138921
Energy: 1.282067414141036
Energy: 1.4729159756935348
Energy: 1.3224133704929912
Energy: 1.366727281136925
Energy: 1.3302875055670143
Energy: 1.4017479748145565
Energy: 1.2820674141417001
Energy: 1.4729159756935348
Energy: 1.367025440047367
Energy: 1.404744725588145
Energy: 1.4980743711747053
Energy: 1.329024865782388
Energy: 1.375141242819271
Energy: 1.3184959939551777
Energy: 1.3670254400486956
Energy: 1.4047447255831629
Energy: 1.4980743711737088
Energy: 1.3290248657830523
Energy: 1.4060701252521965
Energy: 1.3504651735491464
Energy: 1.5023831763030646
Energy: 1.4373933779057384
Energy: 1.35374035240899
Energy: 1.3121121702835432
Energy: 1.406070125250204
Energy: 1.3504651735488147
Energy: 1.5023831763033968
Energy: 1.437393377904742
Energy: 1.3222083974757866
Energy: 1.4679914461434682
Energy: 1.3335284376757346
Energy: 1.3974783131569217
Energy: 1.369399627922268
Energy: 1.3639322579355206
Energy: 1.3222083974744578
Energy: 1.4679914461401466
Energy: 1.333528437674738
Energy: 1.3974783131569217
Energy: 1.3702012628943572
Energy: 1.5157106182422668
Energy: 1.475715906952028
Energy: 1.3858186916901254
Energy: 1.3958309119083798
Energy: 1.3011075582857086
Energy: 1.3702012628943572
Energy: 1.515710618242931
Energy: 1.4757159069560137
Energy: 1.3858186916914539
Energy: 1.314660809893881
Energy: 1.3791472053722507
Energy: 1.46611110500933
Energy: 1.4682932911911608
Energy: 1.352949759739421
Energy: 1.3796648112487513
Energy: 1.3146608098942132
Energy: 1.3791472053719185
Energy: 1.4661111050099942
Energy: 1.4682932911908286
Energy: 1.4223665006227424
Energy: 1.3489813151154715
Energy: 1.3505256957948404
Energy: 1.4676507887917607
Energy: 1.4670808800995165
Energy: 1.3760529543847189
Energy: 1.422366500624041
Energy: 1.3489813151151395
Energy: 1.3505256957925158
Energy: 1.4676507887881074
Energy: 1.3638897028239085
Energy: 1.3691332549654727
Energy: 1.4163537404668902
Energy: 1.289534083031591
Energy: 1.5163077913124823
Energy: 1.3925666898277118
Energy: 1.3638897028242407
Energy: 1.3691332549654727
Energy: 1.416353740466558
Energy: 1.289534083044876
Energy: 1.3082164538631542
Energy: 1.361367863912132
Energy: 1.3974586177778645
Energy: 1.4690476890379707
Energy: 1.339301944507751
Energy: 1.492650657950193
Energy: 1.3082164538641508
Energy: 1.3613678639330564
Energy: 1.3974586177768682
Energy: 1.4690476890392994
Energy: 1.3280100858228887
Energy: 1.3926975628921943
Energy: 1.3601807398412382
Energy: 1.4933853651379687
Energy: 1.3933371825311605
Energy: 1.335166396650647
Energy: 1.3280100858238855
Energy: 1.392697562893191
Energy: 1.3601807398428987
Energy: 1.4933853651329867
Energy: 1.3753951492839243
Energy: 1.3140615759399092
Energy: 1.3879044342193794
Energy: 1.326244338849884
Energy: 1.4642640425560767
Energy: 1.2867307597657884
Energy: 1.3753951492845884
Energy: 1.31406157594157
Energy: 1.3879044342180509
Energy: 1.326244338850548
Energy: 1.360158929625131
Energy: 1.3677517447426197
Energy: 1.5373053016886675
Energy: 1.3876235438673212
Energy: 1.4287537489840787
Energy: 1.395445969391745
Energy: 1.3601589296404093
Energy: 1.3677517447412912
Energy: 1.5373053016880036
Energy: 1.3876235438663251
Energy: 1.4059454314720983
Energy: 1.3452209287073358
Energy: 1.3653376770054064
Energy: 1.39671295417481
Energy: 1.3870580239446595
Energy: 1.3557301588066628
Energy: 1.4059454314724305
Energy: 1.345220928706007
Energy: 1.3653376770050742
Energy: 1.396712954175142
Energy: 1.3775164110931017
Energy: 1.395049972723468
Energy: 1.3184056236619
Energy: 1.3347960606796554
Energy: 1.5140364132768354
Energy: 1.435899218473247
Energy: 1.3775164110927698
Energy: 1.3950499727271213
Energy: 1.3184056236625639
Energy: 1.3347960606799876
Energy: 1.3779251741524505
Energy: 1.3842634267219334
Energy: 1.3096263635131014
Energy: 1.369964161890544
Energy: 1.2840393441538325
Energy: 1.466747469327352
Energy: 1.377925174151122
Energy: 1.3842634267229301
Energy: 1.3096263635127692
Energy: 1.3699641618925371
Energy: 1.4344766764370778
Energy: 1.3349589409677711
Energy: 1.3675452948680331
Energy: 1.3557953392361337
Energy: 1.4402353575759708
Energy: 1.335773725956732
Energy: 1.4344766764370778
Energy: 1.3349589409654459
Energy: 1.3675452948770006
Energy: 1.3557953392348052
Energy: 1.4079468934766413
Energy: 1.325904894439633
Energy: 1.3832244129178681
Energy: 1.3613114233942842
Energy: 1.4605990710048675
Energy: 1.336235552980011
Energy: 1.4079468934763093
Energy: 1.3259048944406295
Energy: 1.3832244129175362
Energy: 1.3613114233946164
Energy: 1.2990089918854482
Energy: 1.4183972266455156
Energy: 1.3192781997464882
Energy: 1.3321470274644718
Energy: 1.3796081308874442
Energy: 1.4652731628732345
Energy: 1.2990089918847842
Energy: 1.4183972266461795
Energy: 1.3192781997468204
Energy: 1.3321470274651361
Energy: 1.4746688728047312
Energy: 1.3552203658141329
Energy: 1.3789996589729654
Energy: 1.55664708382951
Energy: 1.3801579411049025
Energy: 1.4257691185561214
Energy: 1.474668872803735
Energy: 1.3552203658084865
Energy: 1.3789996589729654
Energy: 1.5566470838275173
Energy: 1.282844109006927
Energy: 1.474283751772264
Energy: 1.378028272215066
Energy: 1.365989065761415
Energy: 1.4696806037776238
Energy: 1.3765779648616454
Energy: 1.2828441090059304
Energy: 1.4742837517696372
Energy: 1.3780282722163946
Energy: 1.3659890657620795
Energy: 1.382385404911341
Energy: 1.3791033378546134
Energy: 1.692300958381577
Energy: 1.3688219782524267
Energy: 1.355566500895722
Energy: 1.4784074194979462
Energy: 1.38238540491433
Energy: 1.3791033378542814
Energy: 1.3394707064833604
Energy: 1.3688219782511284
Energy: 1.464663040279718
Energy: 1.3795510416978651
Energy: 1.3575405057928902
Energy: 1.306849350966464
Energy: 1.393332116354243
Energy: 1.369656433822329
Energy: 1.4646630403212348
Energy: 1.379551041698197
Energy: 1.3575405057915613
Energy: 1.3068493509661319
Energy: 1.2895011045253055
Energy: 1.4345540319495473
Energy: 1.3668764687633064
Energy: 1.372699193362551
Energy: 1.3612877132857748
Energy: 1.4029407497815705
Energy: 1.2895011045179987
Energy: 1.4345540319395833
Energy: 1.366876468762642
Energy: 1.3726991933582633
Energy: 1.2898526509178638
Energy: 1.4389585403007097
Energy: 1.350483371088695
Energy: 1.3760350313123062
Energy: 1.3259916686785478
Energy: 1.362245254880582
Energy: 1.2898526509168673
Energy: 1.4389585403007097
Energy: 1.3504833710860378
Energy: 1.3760350313116418
Energy: 1.523638303298215
Energy: 1.2977444396621218
Energy: 1.3852305413640853
Energy: 1.2955302756134708
Energy: 1.3786095600275603
Energy: 1.3789291010276215
Energy: 1.5236383032962222
Energy: 1.2977444396617899
Energy: 1.3852305413617603
Energy: 1.2955302756141351
Energy: 1.427513577975081
Energy: 1.45338447929759
Energy: 1.351496059509984
Energy: 1.322093666534386
Energy: 1.3858907153050648
Energy: 1.379147030532217
Energy: 1.427513577975081
Energy: 1.4533844793012434
Energy: 1.351496059504338
Energy: 1.322093666536711
Energy: 1.3492348801181886
Energy: 1.384924894019822
Energy: 1.4572554546012753
Energy: 1.3733557578140836
Energy: 1.3789944710501414
Energy: 1.4730654285335134
Energy: 1.3492348801185208
Energy: 1.3849248940178291
Energy: 1.4572554546016074
Energy: 1.3733557578137514
Energy: 1.4471099325972832
Energy: 1.3852831006046917
Energy: 1.4400832471634681
Energy: 1.5442534623195585
Energy: 1.3807396265412757
Energy: 1.3550423213138014
Energy: 1.4471099325936299
Energy: 1.385283100605024
Energy: 1.440083247163136
Energy: 1.54425346231823
Energy: 1.3469989975915748
Energy: 1.4574039488824992
Energy: 1.3514536029848128
Energy: 1.3325681394217712
Energy: 1.321592499883433
Energy: 1.3916382195646264
Energy: 1.3469989975929035
Energy: 1.4574039488824992
Energy: 1.3514536029848128
Energy: 1.3325681394211069
Energy: 1.369867121383617
Energy: 1.3360977909232172
Energy: 1.499892223978046
Energy: 1.3655916094762004
Energy: 1.3833528844406902
Energy: 1.3241249402601158
Energy: 1.3698671213852778
Energy: 1.3360977909188996
Energy: 1.4998922239763852
Energy: 1.3655916094765321
Energy: 1.3802655187524602
Energy: 1.281998732487618
Energy: 1.4889778701777177
Energy: 1.3487868500506877
Energy: 1.3739961455605254
Energy: 1.3299469655900498
Energy: 1.3802655187458175
Energy: 1.2819987324882824
Energy: 1.488977870178382
Energy: 1.3487868500496916
Energy: 1.3477152778004176
Energy: 1.42156238397072
Energy: 1.2848190915710853
Energy: 1.3104697777955423
Energy: 1.3110082550763522
Energy: 1.3743098635024766
Energy: 1.3477152777934729
Energy: 1.421562383964742
Energy: 1.2848190915661033
Energy: 1.310469777794546
Energy: 1.3721767341977906
Energy: 1.4983260923836161
Energy: 1.4560799751265525
Energy: 1.3681416184364361
Energy: 1.318162539191394
Energy: 1.405462919656852
Energy: 1.3721767341974584
Energy: 1.4983260923822876
Energy: 1.4560799751265525
Energy: 1.3681416184327826
Energy: 1.4076692320779967
Energy: 1.3606457980892022
Energy: 1.444180823077968
Energy: 1.430027032186149
Energy: 1.3612554002232984
Energy: 1.319923298052191
Energy: 1.407669232078661
Energy: 1.3606457980885376
Energy: 1.4441808230789643
Energy: 1.4300270321868132
Energy: 1.290219377319817
Energy: 1.4003710972970982
Energy: 1.385635685040097
Energy: 1.4372770244345099
Energy: 1.4392384263368698
Energy: 1.366990860612716
Energy: 1.290219377319817
Energy: 1.400371097301416
Energy: 1.3856356850387685
Energy: 1.437277024431853
Energy: 1.36677222908809
Energy: 1.3623751259274919
Energy: 1.388291505033481
Energy: 1.3279086630447898
Energy: 1.4719636412813002
Energy: 1.3123087634726922
Energy: 1.3667722290874256
Energy: 1.3623751259274919
Energy: 1.3882915050341451
Energy: 1.3279086630444576
Energy: 1.3224318557136792
Energy: 1.353147927435448
Energy: 1.4601316159595115
Energy: 1.5447127256563278
Energy: 1.3620828468742538
Energy: 1.4433737261806938
Energy: 1.3224318557093615
Energy: 1.353147927434784
Energy: 1.460131615957549
Energy: 1.5447127256563278
Energy: 1.297161418768111
Energy: 1.328447122078613
Energy: 1.3327480128563394
Energy: 1.5150873402661902
Energy: 1.4037049947722307
Energy: 1.3621815584071268
Energy: 1.2971614187677791
Energy: 1.3284471220752916
Energy: 1.332748012855011
Energy: 1.5150873402744933
Energy: 1.3748977441789607
Energy: 1.3487639792681811
Energy: 1.4613814386073556
Energy: 1.2893100895255547
Energy: 1.3796174752449963
Energy: 1.2957638392172446
Energy: 1.3748977441796248
Energy: 1.3487639792688455
Energy: 1.4613814386046986
Energy: 1.2893100895179157

minimum gb energy = 1.281998732487618 eV
minimum distance =  2.25425201279485 Angstroms
sigma value = 437


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

Energy: 1.397268177847487
Energy: 1.471718568519943
Energy: 1.3804064017468907
Energy: 1.3081778348331632
Energy: 1.3802286376750856
Energy: 1.4708935159291943
Energy: 1.3972681778450673
Energy: 1.4717185685272027
Energy: 1.380406401748101
Energy: 1.5787477965728827
Energy: 1.4057350615457775
Energy: 1.744354593520963
Energy: 1.3317969448059688
Energy: 1.3471408525289317
Energy: 1.5326276943771082
Energy: 1.3453663952542374
Energy: 1.4057350615457775
Energy: 1.744354593520963
Energy: 1.331796944807179
Energy: 1.3471408525265118
Energy: 1.3494788347701971
Energy: 1.3635250878812994
Energy: 1.4846275540074991
Energy: 1.3556304829062527
Energy: 1.4134134662681963
Energy: 1.360817747499786
Energy: 1.3494788347726174
Energy: 1.3635250878812994
Energy: 1.4846275540074991
Energy: 1.3556304829074626
Energy: 1.7095363512704318
Energy: 1.3292861005663665
Energy: 1.351872604601321
Energy: 1.3078856051242544
Energy: 1.3567901358447294
Energy: 1.3283733679614365
Energy: 1.7095363512728519
Energy: 1.3292861005675762
Energy: 1.3518726046001657
Energy: 1.3078856051242544
Energy: 1.3364247459280605
Energy: 1.5175207260545736
Energy: 1.3616040290630638
Energy: 1.4177880948880932
Energy: 1.286187256247986
Energy: 1.334252615751329
Energy: 1.3364247459268508
Energy: 1.3666957744676869
Energy: 1.3616040290630638
Energy: 1.4177880948880932
Energy: 1.3371694928251503
Energy: 1.4400009577990862
Energy: 1.344326107363527
Energy: 1.3229090252941988
Energy: 1.3212025190011991
Energy: 1.449694371261794
Energy: 1.3371694928263607
Energy: 1.440000957801506
Energy: 1.3443261073768373
Energy: 1.3229090252941988
Energy: 1.6396070891623982
Energy: 1.3559462256656976
Energy: 1.4113031308187058
Energy: 1.3059391594261003
Energy: 1.5862328215632768
Energy: 1.3399389487248388
Energy: 1.639607089164818
Energy: 1.3559462256644874
Energy: 1.4113031308187058
Energy: 1.3059391594248904
Energy: 1.3521191268917654
Energy: 1.345850437714365
Energy: 1.3325376266874962
Energy: 1.309584683296768
Energy: 1.484974209989615
Energy: 1.3290815770269104
Energy: 1.3521191268905555
Energy: 1.3458504377179947
Energy: 1.3325376266838662
Energy: 1.3095846832955578
Energy: 1.3117434548737361
Energy: 1.419450349072683
Energy: 1.6808622265273465
Energy: 1.5811828411277888
Energy: 1.3799060790996331
Energy: 1.6096720980991803
Energy: 1.3117434548725257
Energy: 1.419450349072683
Energy: 1.6808622265273465
Energy: 1.5811828411277888
Energy: 1.4825639672779753
Energy: 1.3291399859687378
Energy: 1.326648767073238
Energy: 1.4216330012079788
Energy: 1.3330497627024886
Energy: 1.5446978852256612
Energy: 1.4825639672767654
Energy: 1.3291399859687378
Energy: 1.326648767073238
Energy: 1.4216330012067688
Energy: 1.5741320415743405
Energy: 1.3065730377722966
Energy: 1.3341015312119044
Energy: 1.3488617974054924
Energy: 1.4176697055271568
Energy: 1.3324376322781577
Energy: 1.5741320415731304
Energy: 1.3065730377735065
Energy: 1.3341015312143247
Energy: 1.3488617974042827
Energy: 1.3001195391632565
Energy: 1.343163117041387
Energy: 1.5570090673790182
Energy: 1.3091309497460555
Energy: 1.556259244230578
Energy: 1.3433832641450536
Energy: 1.3001195391632565
Energy: 1.343163117038967
Energy: 1.5570090673790182
Energy: 1.3091309497448458
Energy: 1.5741946164804728
Energy: 1.3325294010127802
Energy: 1.4176697055271568
Energy: 1.3488932524324744
Energy: 1.334039707444273
Energy: 1.3065221276082606
Energy: 1.5741946164804728
Energy: 1.3325294010127802
Energy: 1.4176697055259468
Energy: 1.3488932524324744
Energy: 1.4929523625437044
Energy: 1.5438202866710002
Energy: 1.333098270647567
Energy: 1.4216508250915723
Energy: 1.344714746029101
Energy: 1.3291456337412437
Energy: 1.4929523625449146
Energy: 1.5438202866710002
Energy: 1.3330982706463568
Energy: 1.4216508250903623

minimum gb energy = 1.286187256247986 eV
minimum distance =  2.24117156605199 Angstroms
sigma value = 33