Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657310605049
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.013216091128184705
Energy: 0.013782521897833933
Energy: 0.013321135767890563
Energy: 0.013782521897833933
Energy: 0.013216091128656703
Energy: 0.013782521897833933
Energy: 0.013782521897833933
Energy: 2.553926081780685
Energy: 0.013782521898333693
Energy: 2.553926081780685
Energy: 0.013782521897833933
Energy: 2.553926081780685
Energy: 0.013321135767390803
Energy: 0.013782521897833933
Energy: 0.013216091128656703
Energy: 0.013782521897833933
Energy: 0.013321135767890563
Energy: 0.013782521898333693
Energy: 0.013782521897833933
Energy: 2.553926081780213
Energy: 0.013782521897833933
Energy: 2.553926081780213
Energy: 0.013782521897833933
Energy: 2.553926081780213
Energy: 0.013216091128184705
Energy: 0.013782521897833933
Energy: 0.013321135767890563
Energy: 0.013782521897833933
Energy: 0.013216091128656703
Energy: 0.013782521897833933
Energy: 0.013782521897833933
Energy: 2.553926081780213
Energy: 0.013782521897833933
Energy: 2.553926081780213
Energy: 0.013782521897833933
Energy: 2.553926081780685

minimum gb energy = 0.013216091128184705 eV
minimum distance =  2.40177645967199 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.299089167027905
Energy: 1.2741630632083893
Energy: 1.221190141214759
Energy: 1.2741630632083893
Energy: 1.299089167027905
Energy: 1.2741630632083893
Energy: 1.269616605791424
Energy: 1.2529587178396673
Energy: 1.2048141252050568
Energy: 1.2529587178396673
Energy: 1.269616605791424
Energy: 1.2529587178396673
Energy: 1.2140262033636198
Energy: 1.2527308617085091
Energy: 1.291065448947074
Energy: 1.2527308617085091
Energy: 1.2140262033636198
Energy: 1.2527308617085091
Energy: 1.3613805355583906
Energy: 1.2332689789840472
Energy: 1.2121142796605664
Energy: 1.2332689789840472
Energy: 1.3613805355583906
Energy: 1.2332689789840472
Energy: 1.3230228851941293
Energy: 1.2748214325342042
Energy: 1.2578991394060473
Energy: 1.2748214325342042
Energy: 1.3230228851941293
Energy: 1.2748214325342042
Energy: 1.2909173231695419
Energy: 1.2522005710476891
Energy: 1.2211717988838537
Energy: 1.2522005710476891
Energy: 1.2909173231707447
Energy: 1.2522005710476891
Energy: 1.291989726475894
Energy: 1.2523999113941726
Energy: 1.2191407711276088
Energy: 1.2523999113929696
Energy: 1.291989726477097
Energy: 1.2523999113929696
Energy: 1.348879300068301
Energy: 1.2747413363746887
Energy: 1.2019103409153977
Energy: 1.2747413363758913
Energy: 1.348879300069504
Energy: 1.2747413363758913
Energy: 1.3578787825539764
Energy: 1.2335194480228318
Energy: 1.2106807991817599
Energy: 1.233519448021629
Energy: 1.3578787825539764
Energy: 1.2335194480228318
Energy: 1.2936723963058596
Energy: 1.2526588404390107
Energy: 1.2221036726396097
Energy: 1.2526588404390107
Energy: 1.2936723963058596
Energy: 1.2526588404390107
Energy: 1.2578298997992616
Energy: 1.242990475752105
Energy: 1.2769840638529555
Energy: 1.242990475752105
Energy: 1.257829899798059
Energy: 1.2429904757533081
Energy: 1.203833706709174
Energy: 1.27447284637318
Energy: 1.2043984520931525
Energy: 1.27447284637318
Energy: 1.203833706707971
Energy: 1.27447284637318
Energy: 1.277066200159942
Energy: 1.2429904757533081
Energy: 1.2556129992327771
Energy: 1.242990475752105
Energy: 1.277066200159942
Energy: 1.242990475752105
Energy: 1.2221034272723394
Energy: 1.2526623080324548
Energy: 1.2936485260172255
Energy: 1.2526623080324548
Energy: 1.2221034272723394
Energy: 1.2526623080324548
Energy: 1.2106040186427929
Energy: 1.2332661232215771
Energy: 1.3579030764659692
Energy: 1.23326612322278
Energy: 1.2106040186427929
Energy: 1.23326612322278
Energy: 1.2019035635081026
Energy: 1.2746043118077233
Energy: 1.3483150823208565
Energy: 1.2746043118077233
Energy: 1.2019035635081026
Energy: 1.2746043118077233
Energy: 1.2191590293915904
Energy: 1.2526021945725903
Energy: 1.291878473780606
Energy: 1.2526021945725903
Energy: 1.2191590293903876
Energy: 1.2526021945725903
Energy: 1.2211538466483578
Energy: 1.2521977443327612
Energy: 1.2908797838659394
Energy: 1.2521977443339642
Energy: 1.2211538466483578
Energy: 1.2521977443339642
Energy: 1.2550723102187726
Energy: 1.274863579196935
Energy: 1.3236420408399832
Energy: 1.274863579196935
Energy: 1.2550723102187726
Energy: 1.274863579196935
Energy: 1.212126685656301
Energy: 1.2332769770855814
Energy: 1.3613772317122734
Energy: 1.2332769770855814
Energy: 1.212126685656301
Energy: 1.2332769770855814
Energy: 1.2911370115657987
Energy: 1.2527235992855537
Energy: 1.2140374555346065
Energy: 1.2527235992855537
Energy: 1.2911370115657987
Energy: 1.2527235992855537
Energy: 1.2061976850600395
Energy: 1.2529743533279865
Energy: 1.2697125276441021
Energy: 1.2529743533279865
Energy: 1.2061976850600395
Energy: 1.2529743533279865
Energy: 1.221190141214759
Energy: 1.2741630632083893
Energy: 1.299089167026702
Energy: 1.2741630632083893
Energy: 1.221190141215962
Energy: 1.2741630632083893

minimum gb energy = 1.2019035635081026 eV
minimum distance =  2.28940090997925 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.7787251813722493
Energy: 1.344739547136857
Energy: 1.3028883495504129
Energy: 1.3447395471375414
Energy: 1.7787251813722493
Energy: 1.3447395471375414
Energy: 1.2803253496310207
Energy: 1.3123943762943362
Energy: 1.2947091531364912
Energy: 1.3123943762936523
Energy: 1.280325349631705
Energy: 1.3123943762936523
Energy: 1.255203790328437
Energy: 1.3423444647722258
Energy: 1.420076501631701
Energy: 1.3423444647722258
Energy: 1.255203790328437
Energy: 1.3423444647722258
Energy: 1.2952280417720774
Energy: 1.3001536841966883
Energy: 1.4479357648722637
Energy: 1.3001536841966883
Energy: 1.2952280417720774
Energy: 1.3001536841966883
Energy: 1.2954745460308077
Energy: 1.3207003460924405
Energy: 1.3556025934410298
Energy: 1.3207003460924405
Energy: 1.295474546031492
Energy: 1.3207003460924405
Energy: 1.287799755445136
Energy: 1.3218328737835288
Energy: 1.2707895069845356
Energy: 1.3218328737835288
Energy: 1.28779975544582
Energy: 1.3218328737835288
Energy: 1.2881951509391443
Energy: 1.321718369078226
Energy: 1.3159091108866647
Energy: 1.321718369078226
Energy: 1.288195150941197
Energy: 1.321718369078226
Energy: 1.2711260387527679
Energy: 1.321006209142932
Energy: 1.3519087416316427
Energy: 1.321006209142932
Energy: 1.271126038752084
Energy: 1.321006209142932
Energy: 1.2947748768909622
Energy: 1.3001167995734484
Energy: 1.288102229201591
Energy: 1.3001167995734484
Energy: 1.2947748768909622
Energy: 1.3001167995734484
Energy: 1.2874955562246446
Energy: 1.3423667690469605
Energy: 1.2941799790409454
Energy: 1.3423667690476448
Energy: 1.2874955562246446
Energy: 1.3423667690469605
Energy: 1.2799494618106764
Energy: 1.3147792341765965
Energy: 1.2949096796763424
Energy: 1.3147792341765965
Energy: 1.2799494618106764
Energy: 1.3147792341765965
Energy: 1.4165071573666734
Energy: 1.321350461132473
Energy: 1.2936466075918647
Energy: 1.321350461132473
Energy: 1.4165071573666734
Energy: 1.321350461132473
Energy: 1.4623262701712643
Energy: 1.3102441957716127
Energy: 1.3077229331311058
Energy: 1.3102441957716127
Energy: 1.4623262701712643
Energy: 1.3102441957716127
Energy: 1.3488507822083924
Energy: 1.3419011168701664
Energy: 1.2937299683111643
Energy: 1.3419011168701664
Energy: 1.3488507822090767
Energy: 1.3419011168701664
Energy: 1.416772560633139
Energy: 1.320657854158562
Energy: 1.3913179736686134
Energy: 1.320657854158562
Energy: 1.416772560633139
Energy: 1.320657854158562
Energy: 1.4168349697083333
Energy: 1.3206250703127966
Energy: 1.2821749692325
Energy: 1.3206250703127966
Energy: 1.4168349697083333
Energy: 1.3206250703127966
Energy: 1.432181716335073
Energy: 1.321661989759277
Energy: 1.294189726361103
Energy: 1.3216619897585926
Energy: 1.4321817163343888
Energy: 1.3216619897585926
Energy: 1.467176319297998
Energy: 1.3117134158757588
Energy: 1.4671520260696778
Energy: 1.3117134158757588
Energy: 1.467176319297998
Energy: 1.3117134158757588
Energy: 1.2705535824516663
Energy: 1.321112236700568
Energy: 1.3209962006604634
Energy: 1.3211122367012522
Energy: 1.2705535824516663
Energy: 1.3211122367012522
Energy: 1.294371277861309
Energy: 1.3000236271231924
Energy: 1.2887443720081215
Energy: 1.3000236271231924
Energy: 1.294371277861309
Energy: 1.3000236271231924
Energy: 1.4167667948834277
Energy: 1.342407596810952
Energy: 1.2851234211213993
Energy: 1.342407596810952
Energy: 1.4167667948834277
Energy: 1.342407596810952
Energy: 1.2792059935135371
Energy: 1.3154846417046928
Energy: 1.29463893026609
Energy: 1.3154846417046928
Energy: 1.2792059935128528
Energy: 1.3154846417046928
Energy: 1.2939516510329387
Energy: 1.3214904882755059
Energy: 1.3558737870772677
Energy: 1.3214904882755059
Energy: 1.2939516510329387
Energy: 1.3214904882755059
Energy: 1.4561470920492021
Energy: 1.3118773381351445
Energy: 1.294275991495028
Energy: 1.3118773381344604
Energy: 1.4561470920492021
Energy: 1.3118773381351445
Energy: 1.3155208678614778
Energy: 1.3232241080709937
Energy: 1.4177959936347229
Energy: 1.3232241080709937
Energy: 1.3155208678614778
Energy: 1.323224108070309
Energy: 1.2945744745548684
Energy: 1.3423544713181943
Energy: 1.317475058502064
Energy: 1.3423544713181943
Energy: 1.2945744745535
Energy: 1.3423544713181943
Energy: 1.2945760527960524
Energy: 1.3423437489546013
Energy: 1.3159555715765714
Energy: 1.3423437489546013
Energy: 1.2945760527967365
Energy: 1.3423437489546013
Energy: 1.3155323779045782
Energy: 1.3232061956907308
Energy: 1.4182367646641114
Energy: 1.3232061956907308
Energy: 1.315532377903894
Energy: 1.3232061956900467
Energy: 1.4561569260702436
Energy: 1.3118789606149004
Energy: 1.2941707524540524
Energy: 1.3118789606142158
Energy: 1.4561569260695595
Energy: 1.3118789606142158
Energy: 1.294153294792957
Energy: 1.321487399678545
Energy: 1.4324202217464812
Energy: 1.321487399678545
Energy: 1.294153294792273
Energy: 1.321487399678545
Energy: 1.2808038752238267
Energy: 1.3154846417033244
Energy: 1.2946271259290338
Energy: 1.3154846417033244
Energy: 1.2808038752245108
Energy: 1.3154846417033244
Energy: 1.4167691200332193
Energy: 1.3424146884654107
Energy: 1.2850914043935737
Energy: 1.3424146884660948
Energy: 1.4167691200332193
Energy: 1.3424146884654107
Energy: 1.2943698425498467
Energy: 1.300239369543041
Energy: 1.2890773162326956
Energy: 1.300239369543041
Energy: 1.2943698425491623
Energy: 1.300239369543041
Energy: 1.270564251967815
Energy: 1.3211104138071452
Energy: 1.3517748685766613
Energy: 1.3211104138078296
Energy: 1.270564251967815
Energy: 1.3211104138078296
Energy: 1.467130024993866
Energy: 1.3117082355637806
Energy: 1.3909291284008332
Energy: 1.311708235563096
Energy: 1.467130024993866
Energy: 1.311708235563096
Energy: 1.4314558495644052
Energy: 1.321480794037367
Energy: 1.2940936150291003
Energy: 1.321480794037367
Energy: 1.4314558495630363
Energy: 1.321480794037367
Energy: 1.416520753543087
Energy: 1.3205418101554582
Energy: 1.3144148349143856
Energy: 1.3205418101554582
Energy: 1.416520753543087
Energy: 1.3205418101554582
Energy: 1.416907371906341
Energy: 1.32068715047868
Energy: 1.3915477855094895
Energy: 1.32068715047868
Energy: 1.416907371906341
Energy: 1.32068715047868
Energy: 1.3488133230886634
Energy: 1.3418684048979475
Energy: 1.2935303312717765
Energy: 1.3418684048979475
Energy: 1.3488133230886634
Energy: 1.3418684048979475
Energy: 1.4623366096639197
Energy: 1.310248551721816
Energy: 1.3080130212992838
Energy: 1.3102485517211315
Energy: 1.4623366096639197
Energy: 1.310248551721816
Energy: 1.4164936302848978
Energy: 1.3211348895878479
Energy: 1.3144172649792967
Energy: 1.3211348895878479
Energy: 1.4164936302848978
Energy: 1.321134889588532

minimum gb energy = 1.255203790328437 eV
minimum distance =  2.25972322411462 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.5268485490437849
Energy: 1.361238473052137
Energy: 1.4000947272040207
Energy: 1.361238473052137
Energy: 1.5268485490437849
Energy: 1.361238473052137
Energy: 1.2673131397526454
Energy: 1.3596440454869771
Energy: 1.595211883139584
Energy: 1.3596440454885623
Energy: 1.2673131397526454
Energy: 1.3596440454869771
Energy: 1.26653159309197
Energy: 1.3613230065784026
Energy: 1.4160900309868996
Energy: 1.3613230065768172
Energy: 1.26653159309197
Energy: 1.3613230065768172
Energy: 1.2802156501851756
Energy: 1.312983358395977
Energy: 1.5964411632547484
Energy: 1.312983358395977
Energy: 1.2802156501851756
Energy: 1.312983358395977
Energy: 1.2668630006660915
Energy: 1.317050641691913
Energy: 1.3963537524140281
Energy: 1.3170506416903276
Energy: 1.2668630006660915
Energy: 1.3170506416903276
Energy: 1.5267222741026512
Energy: 1.312956953744348
Energy: 1.645099406330356
Energy: 1.3129569537459331
Energy: 1.5267222741026512
Energy: 1.3129569537459331
Energy: 1.5272499415068672
Energy: 1.3157912954330575
Energy: 1.395935846475714
Energy: 1.3157912954346427
Energy: 1.5272499415068672
Energy: 1.3157912954346427
Energy: 1.280775234711713
Energy: 1.313124423402118
Energy: 1.2486268246650942
Energy: 1.313124423402118
Energy: 1.280775234711713
Energy: 1.313124423402118
Energy: 1.5274634214621734
Energy: 1.3400811074562402
Energy: 1.2514107866924191
Energy: 1.3400811074546548
Energy: 1.5274634214621734
Energy: 1.3400811074546548
Energy: 1.2665986165893233
Energy: 1.362582583717152
Energy: 1.2485429895816333
Energy: 1.362582583717152
Energy: 1.2665986165893233
Energy: 1.362582583717152
Energy: 1.598932890315483
Energy: 1.3143430919340933
Energy: 1.5947790350302888
Energy: 1.3143430919340933
Energy: 1.598932890315483
Energy: 1.3143430919340933
Energy: 1.5264746748416311
Energy: 1.3622058001855746
Energy: 1.6398641019831242
Energy: 1.3622058001855746
Energy: 1.5264746748416311
Energy: 1.3622058001855746
Energy: 1.4089853605302864
Energy: 1.3130739522384955
Energy: 1.5948327977770331
Energy: 1.3130739522384955
Energy: 1.4089853605302864
Energy: 1.3130739522384955
Energy: 1.2662260864436545
Energy: 1.3620932661817138
Energy: 1.5948302545580275
Energy: 1.3620932661817138
Energy: 1.2662260864436545
Energy: 1.3620932661817138
Energy: 1.26629196264891
Energy: 1.366736209731026
Energy: 1.5959729607710342
Energy: 1.366736209731026
Energy: 1.2662919626504952
Energy: 1.366736209731026
Energy: 1.2672148123806761
Energy: 1.31676512124599
Energy: 1.5945512699353739
Energy: 1.31676512124599
Energy: 1.2672148123806761
Energy: 1.316765121244405
Energy: 1.5270801138245884
Energy: 1.3670438839607608
Energy: 1.6381967182456918
Energy: 1.3670438839623467
Energy: 1.5270801138245884
Energy: 1.3670438839623467
Energy: 1.526617385266907
Energy: 1.3187480699085825
Energy: 1.5943177898512952
Energy: 1.3187480699085825
Energy: 1.526617385266907
Energy: 1.3187480699085825

minimum gb energy = 1.2485429895816333 eV
minimum distance =  2.25343585876193 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.6530450598605242
Energy: 1.4215722622199598
Energy: 1.31764294241224
Energy: 1.4215722622199598
Energy: 1.6530450598605242
Energy: 1.4215722622199598
Energy: 1.3013575967762878
Energy: 1.4049392234990783
Energy: 1.340498348581814
Energy: 1.4049392234990783
Energy: 1.3013575967762878
Energy: 1.4049392234990783
Energy: 1.283980701259248
Energy: 1.4154911800170025
Energy: 1.4426588090546304
Energy: 1.4154911800170025
Energy: 1.283980701259248
Energy: 1.4154911800170025
Energy: 1.3793014848372298
Energy: 1.3892060217573745
Energy: 1.3402229126020193
Energy: 1.3892060217573745
Energy: 1.3793014848372298
Energy: 1.3892060217573745
Energy: 1.3165276715208174
Energy: 1.421797593338201
Energy: 1.3934382383213946
Energy: 1.421797593338201
Energy: 1.3165276715208174
Energy: 1.421797593338201
Energy: 1.3928262277302956
Energy: 1.4217840652322649
Energy: 1.3168218604437234
Energy: 1.4217840652322649
Energy: 1.3928262277312358
Energy: 1.4217840652322649
Energy: 1.3404634955106107
Energy: 1.3892069163796978
Energy: 1.3792738443737715
Energy: 1.3892069163796978
Energy: 1.3404634955096704
Energy: 1.3892069163796978
Energy: 1.442726159869991
Energy: 1.415493251326173
Energy: 1.283968801451375
Energy: 1.415493251326173
Energy: 1.442726159869991
Energy: 1.415493251326173
Energy: 1.3403971650612292
Energy: 1.4048289005422185
Energy: 1.28403533238655
Energy: 1.4048289005422185
Energy: 1.3403971650602888
Energy: 1.4048289005422185
Energy: 1.31764294241224
Energy: 1.4215722622199598
Energy: 1.6530450598605242
Energy: 1.4215722622199598
Energy: 1.31764294241224
Energy: 1.4215722622199598
Energy: 1.3404983485827544
Energy: 1.4049392234990783
Energy: 1.3171143724355516
Energy: 1.4049392234990783
Energy: 1.340498348581814
Energy: 1.4049392234990783
Energy: 1.4426588090546304
Energy: 1.4154911800179428
Energy: 1.283980701259248
Energy: 1.4154911800179428
Energy: 1.4426588090546304
Energy: 1.4154911800179428
Energy: 1.3402229126020193
Energy: 1.3892060217573745
Energy: 1.3793014848372298
Energy: 1.3892060217573745
Energy: 1.3402229126020193
Energy: 1.3892060217573745
Energy: 1.3934382383223347
Energy: 1.421797593338201
Energy: 1.3165276715198768
Energy: 1.421797593338201
Energy: 1.3934382383232755
Energy: 1.421797593338201
Energy: 1.3168218604437234
Energy: 1.4217840652322649
Energy: 1.3928262277302956
Energy: 1.4217840652322649
Energy: 1.3168218604437234
Energy: 1.4217840652313245
Energy: 1.3792738443737715
Energy: 1.3892069163787573
Energy: 1.3404634955096704
Energy: 1.3892069163796978
Energy: 1.379273844374712
Energy: 1.3892069163787573
Energy: 1.283968801451375
Energy: 1.4154932513252327
Energy: 1.442726159869991
Energy: 1.415493251326173
Energy: 1.283968801451375
Energy: 1.415493251326173
Energy: 1.2840353323874905
Energy: 1.4048289005431593
Energy: 1.3403971650602888
Energy: 1.4048289005422185
Energy: 1.28403533238655
Energy: 1.4048289005422185
Energy: 1.6530450598605242
Energy: 1.4215722622199598
Energy: 1.3176429424112996
Energy: 1.4215722622199598
Energy: 1.6530450598605242
Energy: 1.4215722622199598
Energy: 1.2840037946237637
Energy: 1.4049392234990783
Energy: 1.3404983485827544
Energy: 1.4049392234990783
Energy: 1.2840037946237637
Energy: 1.4049392234990783
Energy: 1.283980701259248
Energy: 1.4154911800170025
Energy: 1.4426588090546304
Energy: 1.4154911800170025
Energy: 1.283980701259248
Energy: 1.4154911800170025
Energy: 1.3793014848372298
Energy: 1.3892060217573745
Energy: 1.3402229126020193
Energy: 1.3892060217573745
Energy: 1.3793014848372298
Energy: 1.3892060217573745
Energy: 1.3165276715208174
Energy: 1.421797593338201
Energy: 1.3934382383232755
Energy: 1.421797593338201
Energy: 1.3165276715208174
Energy: 1.4217975933372606
Energy: 1.3928262277302956
Energy: 1.4217840652322649
Energy: 1.3168218604437234
Energy: 1.4217840652322649
Energy: 1.392826227729355
Energy: 1.4217840652322649
Energy: 1.3404634955096704
Energy: 1.3892069163787573
Energy: 1.3492900511847514
Energy: 1.3892069163796978
Energy: 1.3404634955106107
Energy: 1.3892069163796978
Energy: 1.442726159869991
Energy: 1.415493251326173
Energy: 1.283968801451375
Energy: 1.415493251326173
Energy: 1.442726159869991
Energy: 1.415493251326173
Energy: 1.3403971650612292
Energy: 1.4048289005422185
Energy: 1.2840353323874905
Energy: 1.4048289005422185
Energy: 1.3403971650612292
Energy: 1.4048289005422185
Energy: 1.31764294241224
Energy: 1.4215722622199598
Energy: 1.6530450598605242
Energy: 1.4215722622199598
Energy: 1.31764294241224
Energy: 1.4215722622199598
Energy: 1.340498348581814
Energy: 1.4049392235000189
Energy: 1.2840037946228233
Energy: 1.4049392234990783
Energy: 1.340498348581814
Energy: 1.4049392234990783
Energy: 1.4426588090546304
Energy: 1.4154911800179428
Energy: 1.283980701259248
Energy: 1.4154911800179428
Energy: 1.4426588090546304
Energy: 1.4154911800179428

minimum gb energy = 1.283968801451375 eV
minimum distance =  2.24758623249906 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.192307214361431
Energy: 1.3333875768414811
Energy: 1.2486183290215807
Energy: 1.3333875768414811
Energy: 1.192307214361431
Energy: 1.3333875768414811
Energy: 1.182808581255224
Energy: 1.3078674492265143
Energy: 1.212110804093223
Energy: 1.307867449227195
Energy: 1.182808581255224
Energy: 1.3078674492269593
Energy: 1.2129671506425106
Energy: 1.495636212967074
Energy: 1.2137639032171266
Energy: 1.495636212967074
Energy: 1.2129671506425106
Energy: 1.495636212967074
Energy: 1.1887233754634092
Energy: 1.3350641546144069
Energy: 1.2124554753757413
Energy: 1.3350641546144069
Energy: 1.1887233754634092
Energy: 1.3350641546146427
Energy: 1.240205066492161
Energy: 1.3340148143187587
Energy: 1.2090094690791036
Energy: 1.3340148143185493
Energy: 1.2402050664919253
Energy: 1.3340148143185493
Energy: 1.2122722056967532
Energy: 1.497613452277732
Energy: 1.2124439639406221
Energy: 1.4976134522779678
Energy: 1.2122722056967532
Energy: 1.497613452277732
Energy: 1.213083969813767
Energy: 1.310538725049906
Energy: 1.2129877382494605
Energy: 1.310538725050142
Energy: 1.2130839698135314
Energy: 1.310538725050142
Energy: 1.1886983643645834
Energy: 1.3341888102740862
Energy: 1.2126288485626502
Energy: 1.3341888102740862
Energy: 1.188698364364793
Energy: 1.3341888102740862
Energy: 1.2127575889913935
Energy: 1.3345341477882489
Energy: 1.182448559475521
Energy: 1.3345341477880133
Energy: 1.2127575889913935
Energy: 1.3345341477880133
Energy: 1.2125867168852615
Energy: 1.4960079044935712
Energy: 1.2125712342327888
Energy: 1.4960079044933359
Energy: 1.2125867168852615
Energy: 1.4960079044938068
Energy: 1.1838964368429241
Energy: 1.3345046412737398
Energy: 1.212857237945017
Energy: 1.3345046412735302
Energy: 1.1838964368424794
Energy: 1.3345046412735302
Energy: 1.2127371360676846
Energy: 1.3341851201653538
Energy: 1.188739157232273
Energy: 1.3341851201653538
Energy: 1.2127371360676846
Energy: 1.3341851201653538

minimum gb energy = 1.182448559475521 eV
minimum distance =  2.26538981787518 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.6614294963099143
Energy: 1.5073141265713486
Energy: 1.3228119815709378
Energy: 1.5073141265707013
Energy: 1.6614294963099143
Energy: 1.5073141265713486
Energy: 1.3643707093290631
Energy: 1.4895887230181846
Energy: 1.3250807917669594
Energy: 1.4895887230181846
Energy: 1.3643707093290631
Energy: 1.4895887230181846
Energy: 1.32618927026119
Energy: 1.4896677153729305
Energy: 1.325216707806467
Energy: 1.4896677153729305
Energy: 1.32618927026119
Energy: 1.4896677153735776
Energy: 1.2863747970832569
Energy: 1.4620845232262063
Energy: 1.2518209128782445
Energy: 1.4620845232262063
Energy: 1.2863747970832569
Energy: 1.4620845232262063
Energy: 1.2850356126213265
Energy: 1.4608503762972012
Energy: 1.2718228241712164
Energy: 1.460850376296554
Energy: 1.2850356126213265
Energy: 1.4608503762972012
Energy: 1.2626687195436517
Energy: 1.4458470884079768
Energy: 1.3255783852601382
Energy: 1.4458470884079768
Energy: 1.2626687195436517
Energy: 1.4458470884073298
Energy: 1.416093070280997
Energy: 1.475034150237835
Energy: 1.3231613284005652
Energy: 1.475034150237835
Energy: 1.416093070280997
Energy: 1.475034150237835
Energy: 1.474114053152345
Energy: 1.4619881122637546
Energy: 1.3425153982912845
Energy: 1.4619881122637546
Energy: 1.474114053152345
Energy: 1.4619881122637546
Energy: 1.3233422509390658
Energy: 1.417850019703162
Energy: 1.3449251917356346
Energy: 1.417850019703162
Energy: 1.3233422509371242
Energy: 1.417850019703162
Energy: 1.4695606732350628
Energy: 1.4906489722950829
Energy: 1.2842860550066961
Energy: 1.4906489722950829
Energy: 1.4695606732350628
Energy: 1.4906489722950829
Energy: 1.3591087123759455
Energy: 1.4549091722627752
Energy: 1.3251221488264648
Energy: 1.4549091722627752
Energy: 1.3591087123765928
Energy: 1.4549091722627752
Energy: 1.339725430510125
Energy: 1.462011453303457
Energy: 1.3347431343859002
Energy: 1.4620114533028097
Energy: 1.3397254305107722
Energy: 1.462011453303457
Energy: 1.2615983221846612
Energy: 1.409504527300193
Energy: 1.2571298432205353
Energy: 1.4095045273008402
Energy: 1.2615983221846612
Energy: 1.4095045273008402
Energy: 1.4155101504153162
Energy: 1.491128514723146
Energy: 1.2559066357521753
Energy: 1.491128514723146
Energy: 1.4155101504159635
Energy: 1.491128514723146
Energy: 1.3421044322955642
Energy: 1.4644932253113356
Energy: 1.3262739782747355
Energy: 1.4644932253119827
Energy: 1.3421044322955642
Energy: 1.4644932253119827
Energy: 1.3525633161915656
Energy: 1.4472158815875193
Energy: 1.3344340734856872
Energy: 1.4472158815875193
Energy: 1.3525633161915656
Energy: 1.4472158815881666
Energy: 1.3335477537513893
Energy: 1.4931964057499674
Energy: 1.2852854470252932
Energy: 1.4931964057499674
Energy: 1.3335477537513893
Energy: 1.4931964057499674
Energy: 1.253195727382219
Energy: 1.4077692554447765
Energy: 1.337667411389677
Energy: 1.4077692554447765
Energy: 1.253195727382219
Energy: 1.4077692554447765
Energy: 1.3254624945252815
Energy: 1.4947175039167921
Energy: 1.261523738360205
Energy: 1.4947175039174396
Energy: 1.3254624945252815
Energy: 1.4947175039174396
Energy: 1.2616602597607571
Energy: 1.5390184474451507
Energy: 1.2613777848166756
Energy: 1.5390184474457982
Energy: 1.2616602597601099
Energy: 1.5390184474457982
Energy: 1.261448052854802
Energy: 1.4947506482348845
Energy: 1.3250067842398119
Energy: 1.4947506482348845
Energy: 1.261448052854802
Energy: 1.4947506482342374
Energy: 1.3389613615030806
Energy: 1.407787495975566
Energy: 1.2527352455983196
Energy: 1.407787495975566
Energy: 1.3389613615030806
Energy: 1.407787495975566
Energy: 1.2849453708774985
Energy: 1.493013704444248
Energy: 1.333385504627748
Energy: 1.493013704444895
Energy: 1.2849453708774985
Energy: 1.493013704444895
Energy: 1.334274082273622
Energy: 1.4472876815721099
Energy: 1.3525356175737548
Energy: 1.4472876815714626
Energy: 1.334274082273622
Energy: 1.4472876815714626
Energy: 1.3262458611044612
Energy: 1.4640978015206338
Energy: 1.3420809496983457
Energy: 1.4640978015206338
Energy: 1.3262458611044612
Energy: 1.4640978015206338
Energy: 1.2557904394905188
Energy: 1.4911137873543563
Energy: 1.4154826371478575
Energy: 1.4911137873543563
Energy: 1.2557904394911663
Energy: 1.4911137873543563
Energy: 1.2572932692487657
Energy: 1.4095297269632516
Energy: 1.261625217672236
Energy: 1.4095297269632516
Energy: 1.2572932692474714
Energy: 1.4095297269632516
Energy: 1.3347494965772329
Energy: 1.4619677503793083
Energy: 1.3398619712176392
Energy: 1.4619677503799553
Energy: 1.3347494965772329
Energy: 1.4619677503799553
Energy: 1.3251578476814847
Energy: 1.454979163676675
Energy: 1.3231092127690838
Energy: 1.454979163676675
Energy: 1.3251578476814847
Energy: 1.454979163676675
Energy: 1.2842759682923015
Energy: 1.4906507929301311
Energy: 1.469579798999439
Energy: 1.4906507929301311
Energy: 1.2842759682929485
Energy: 1.4906507929301311
Energy: 1.339342889472255
Energy: 1.417850019703162
Energy: 1.3236025634954616
Energy: 1.4178500197025148
Energy: 1.339342889472255
Energy: 1.417850019703162
Energy: 1.34256753163599
Energy: 1.4619833268468334
Energy: 1.4741054943500564
Energy: 1.4619833268468334
Energy: 1.3425675316366372
Energy: 1.4619833268468334
Energy: 1.323355374350143
Energy: 1.4750341305187582
Energy: 1.5798776939763528
Energy: 1.4750341305187582
Energy: 1.323355374350143
Energy: 1.4750341305187582
Energy: 1.3253298740831323
Energy: 1.4079791693730137
Energy: 1.2626696441843532
Energy: 1.4079791693730137
Energy: 1.3253298740831323
Energy: 1.4079791693730137
Energy: 1.2895696145693614
Energy: 1.4608151291334268
Energy: 1.2850319911434445
Energy: 1.4608151291327793
Energy: 1.2895696145693614
Energy: 1.4608151291327793
Energy: 1.2518817569023326
Energy: 1.4621555977846001
Energy: 1.2863533593435221
Energy: 1.4621555977846001
Energy: 1.2518817569023326
Energy: 1.4621555977846001
Energy: 1.3254164080341724
Energy: 1.4896300243837477
Energy: 1.3261884226225962
Energy: 1.489630024384395
Energy: 1.3254164080341724
Energy: 1.489630024384395
Energy: 1.3251429665549594
Energy: 1.4504220925201534
Energy: 1.3646581367219663
Energy: 1.4504220925208007
Energy: 1.3251429665556067
Energy: 1.4504220925208007
Energy: 1.3457932347615154
Energy: 1.5073141265707013
Energy: 1.6614294963099143
Energy: 1.5073141265713486
Energy: 1.3457932347621626
Energy: 1.5073141265707013
Energy: 1.325080791766312
Energy: 1.4895887230181846
Energy: 1.3643707093290631
Energy: 1.4895887230175373
Energy: 1.3250807917669594
Energy: 1.4895887230175373
Energy: 1.3252167078051724
Energy: 1.4896677153729305
Energy: 1.32618927026119
Energy: 1.4896677153729305
Energy: 1.32521670780582
Energy: 1.4896677153729305
Energy: 1.2518209128782445
Energy: 1.4620845232262063
Energy: 1.2863747970839041
Energy: 1.4620845232262063
Energy: 1.2518209128782445
Energy: 1.4620845232262063
Energy: 1.2524618739924953
Energy: 1.460850376296554
Energy: 1.2850356126213265
Energy: 1.4608503762972012
Energy: 1.2524618739931423
Energy: 1.4608503762972012

minimum gb energy = 1.2518209128782445 eV
minimum distance =  2.24735571630169 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.3843510893059754
Energy: 1.417272248391731
Energy: 1.1618880109611407
Energy: 1.417272248391731
Energy: 1.3843510893059754
Energy: 1.417272248391731
Energy: 1.133359287389838
Energy: 1.4169436167007858
Energy: 1.1641645319489762
Energy: 1.4169436167007858
Energy: 1.133359287389838
Energy: 1.4169436167007858
Energy: 1.1270835075891752
Energy: 1.3760385234409689
Energy: 1.1627795241619343
Energy: 1.3760385234409689
Energy: 1.1270835075891752
Energy: 1.3760385234409689
Energy: 1.1620162041757387
Energy: 1.3938711648329118
Energy: 1.1644434409691315
Energy: 1.3938711648329118
Energy: 1.1620162041742654
Energy: 1.3938711648329118
Energy: 1.1625222322534394
Energy: 1.4176826243499046
Energy: 1.1338107491195268
Energy: 1.4176826243499046
Energy: 1.1625222322534394
Energy: 1.4176826243499046
Energy: 1.1622308954954674
Energy: 1.375953217294125
Energy: 1.1253095203729864
Energy: 1.375953217294125
Energy: 1.1622308954969407
Energy: 1.375953217294125
Energy: 1.1622216374822951
Energy: 1.375977137010418
Energy: 1.125415357337601
Energy: 1.375977137010418
Energy: 1.1622216374808219
Energy: 1.375977137010418
Energy: 1.1625222102778643
Energy: 1.4176731843263177
Energy: 1.1643913001207025
Energy: 1.4176731843263177
Energy: 1.162522210276391
Energy: 1.4176731843263177
Energy: 1.162004364769361
Energy: 1.3938842089879568
Energy: 1.1648555569991805
Energy: 1.3938842089879568
Energy: 1.1620043647708342
Energy: 1.3938842089879568
Energy: 1.1270867643707188
Energy: 1.3760590500556422
Energy: 1.1624253291294084
Energy: 1.3760590500556422
Energy: 1.1270867643707188
Energy: 1.3760590500556422
Energy: 1.1334284168837425
Energy: 1.4169436167007858
Energy: 1.164255686969764
Energy: 1.4169436167007858
Energy: 1.1334284168837425
Energy: 1.4169436167007858
Energy: 1.3843510893059754
Energy: 1.417272248391731
Energy: 1.1618880109611407
Energy: 1.417272248391731
Energy: 1.3843510893059754
Energy: 1.417272248391731
Energy: 1.133359287389838
Energy: 1.4169436167007858
Energy: 1.1641645319489762
Energy: 1.4169436167007858
Energy: 1.133359287389838
Energy: 1.4169436167007858
Energy: 1.1270835075891752
Energy: 1.3760385234409689
Energy: 1.1627795241604608
Energy: 1.3760385234409689
Energy: 1.1270835075891752
Energy: 1.3760385234409689
Energy: 1.1620162041757387
Energy: 1.3938711648329118
Energy: 1.1644434409691315
Energy: 1.3938711648329118
Energy: 1.1620162041742654
Energy: 1.3938711648329118
Energy: 1.1625222322534394
Energy: 1.4176826243499046
Energy: 1.1338107491195268
Energy: 1.4176826243499046
Energy: 1.1625222322534394
Energy: 1.4176826243499046
Energy: 1.1622308954969407
Energy: 1.375953217294125
Energy: 1.1253095203729864
Energy: 1.3759532172926516
Energy: 1.1622308954969407
Energy: 1.375953217294125
Energy: 1.1622216374822951
Energy: 1.375977137010418
Energy: 1.125415357337601
Energy: 1.375977137010418
Energy: 1.1622216374822951
Energy: 1.375977137010418
Energy: 1.1625222102778643
Energy: 1.4176731843263177
Energy: 1.1643913001221755
Energy: 1.4176731843263177
Energy: 1.1625222102778643
Energy: 1.4176731843263177

minimum gb energy = 1.1253095203729864 eV
minimum distance =  2.2305557471253 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.273901977229771
Energy: 1.2703188883926706
Energy: 1.2163537035593321
Energy: 1.2703188883926706
Energy: 1.2739019772308502
Energy: 1.2703188883926706
Energy: 1.2245337872818511
Energy: 1.2965349754638553
Energy: 1.0445414617323028
Energy: 1.2965349754638553
Energy: 1.224533787280772
Energy: 1.2965349754638553
Energy: 1.2410497340948183
Energy: 1.3303243579277721
Energy: 1.108973253810833
Energy: 1.3303243579266932
Energy: 1.2410497340969768
Energy: 1.3303243579266932
Energy: 1.055021082911622
Energy: 1.3136418965033763
Energy: 1.0921455857564613
Energy: 1.3136418965033763
Energy: 1.055021082911622
Energy: 1.3136418965033763
Energy: 1.0898635228844142
Energy: 1.3605603450264199
Energy: 1.0944041642538191
Energy: 1.3605603450274988
Energy: 1.0898635228833349
Energy: 1.3605603450274988
Energy: 1.1631458176602463
Energy: 1.3361319691050255
Energy: 1.1497055989397462
Energy: 1.3361319691050255
Energy: 1.1631458176602463
Energy: 1.3361319691050255
Energy: 1.1077541052362323
Energy: 1.283028554559841
Energy: 1.150184773733329
Energy: 1.2830285545587619
Energy: 1.1077541052362323
Energy: 1.2830285545587619
Energy: 1.1474453236075448
Energy: 1.3617545320230278
Energy: 1.0566882224683887
Energy: 1.3617545320219486
Energy: 1.1474453236075448
Energy: 1.3617545320219486
Energy: 1.143768845958546
Energy: 1.3603490845241781
Energy: 1.052388595540774
Energy: 1.3603490845241781
Energy: 1.143768845958546
Energy: 1.3603490845241781
Energy: 1.107429397339723
Energy: 1.283329982603446
Energy: 1.1496157070166118
Energy: 1.2833299826023667
Energy: 1.107429397339723
Energy: 1.2833299826023667
Energy: 1.163188278936484
Energy: 1.3343667205144487
Energy: 1.1504112412349148
Energy: 1.334366720515528
Energy: 1.163188278936484
Energy: 1.334366720515528
Energy: 1.0902651997874107
Energy: 1.3624258358213905
Energy: 1.0922324932086471
Energy: 1.3624258358213905
Energy: 1.0902651997874107
Energy: 1.3624258358213905
Energy: 1.2363860919065564
Energy: 1.3200592026453983
Energy: 1.09464887494245
Energy: 1.3200592026475568
Energy: 1.2363860919065564
Energy: 1.3200592026475568
Energy: 1.1486382610473007
Energy: 1.331675574156652
Energy: 1.1090749006636662
Energy: 1.3316755741544934
Energy: 1.1486382610473007
Energy: 1.3316755741555724
Energy: 1.2244585156913388
Energy: 1.2983720032666928
Energy: 1.045269571934505
Energy: 1.2983720032656134
Energy: 1.2244585156913388
Energy: 1.2983720032656134
Energy: 1.1717689375441382
Energy: 1.2692193968654433
Energy: 1.1481585075312153
Energy: 1.2692193968665229
Energy: 1.1717689375441382
Energy: 1.2692193968654433
Energy: 1.054180893810421
Energy: 1.2971595904719408
Energy: 1.071575654500868
Energy: 1.2971595904719408
Energy: 1.0541808938276889
Energy: 1.2971595904730202
Energy: 1.1489783679463348
Energy: 1.3306291228480227
Energy: 1.106771638465562
Energy: 1.330629122849102
Energy: 1.1489783679452557
Energy: 1.3306291228480227
Energy: 1.111119594549573
Energy: 1.3124679973987243
Energy: 1.0907763001846669
Energy: 1.3124679973998037
Energy: 1.111119594549573
Energy: 1.3124679973998037
Energy: 1.0900591186616155
Energy: 1.36122487608492
Energy: 1.1467872111248547
Energy: 1.3612248760838408
Energy: 1.0900591186616155
Energy: 1.36122487608492
Energy: 1.2884759385985822
Energy: 1.3382880860080097
Energy: 1.1498705663670863
Energy: 1.338288086004772
Energy: 1.2884759385985822
Energy: 1.338288086004772
Energy: 1.1077162324958858
Energy: 1.2831712617342326
Energy: 1.1496977967473845
Energy: 1.2831712617342326
Energy: 1.1077162324958858
Energy: 1.2831712617342326
Energy: 1.1472804122971898
Energy: 1.3647629087897541
Energy: 1.056229539182952
Energy: 1.3647629087897541
Energy: 1.1472804122971898
Energy: 1.3647629087897541
Energy: 1.0469766988205247
Energy: 1.3609360421214873
Energy: 1.047590214128471
Energy: 1.3609360421214873
Energy: 1.046976698821555
Energy: 1.3609360421214873
Energy: 1.107711141611653
Energy: 1.2840214176724287
Energy: 1.1497803791369228
Energy: 1.2840214176713494
Energy: 1.107711141611653
Energy: 1.2840214176713494
Energy: 1.1659121467343831
Energy: 1.3349822854520565
Energy: 1.150255270564832
Energy: 1.3349822854531357
Energy: 1.1659121467343831
Energy: 1.3349822854531357

minimum gb energy = 1.0445414617323028 eV
minimum distance =  2.23754806762574 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.4164853064295522
Energy: 1.2988372828469437
Energy: 0.9886134232862884
Energy: 1.2988372828469437
Energy: 1.4164853064295522
Energy: 1.2988372828469437
Energy: 1.1907222500474335
Energy: 1.1999693743399515
Energy: 0.9555516133955501
Energy: 1.1999693743399515
Energy: 1.1907222500465828
Energy: 1.1999693743399515
Energy: 1.0639777874818108
Energy: 1.2451844013721387
Energy: 0.9908428478515955
Energy: 1.2451844013721387
Energy: 1.0639777874818108
Energy: 1.2451844013721387
Energy: 1.1971637575770115
Energy: 1.167789076326139
Energy: 0.9558074524601454
Energy: 1.167789076326139
Energy: 1.197163757576161
Energy: 1.167789076326139
Energy: 1.0714295866385963
Energy: 1.1620651954587213
Energy: 1.0097078855106922
Energy: 1.162065195459572
Energy: 1.0714295866385963
Energy: 1.162065195459572
Energy: 1.2115657921748437
Energy: 1.2405900106874606
Energy: 0.9554963422904142
Energy: 1.2405900106874606
Energy: 1.2115657921756944
Energy: 1.2405900106874606
Energy: 0.9563930017496871
Energy: 1.2447051384151862
Energy: 0.9563502895205884
Energy: 1.2447051384151862
Energy: 0.9563930017496871
Energy: 1.2447051384151862
Energy: 1.0592561350889338
Energy: 1.258429125543207
Energy: 0.9590275835925688
Energy: 1.258429125543207
Energy: 1.0592561350897842
Energy: 1.258429125543207
Energy: 0.9878879694227701
Energy: 1.1621803184500417
Energy: 1.1388930209562989
Energy: 1.162180318449191
Energy: 0.9878879694227701
Energy: 1.1621803184500417
Energy: 1.2209316064947133
Energy: 1.2463892737877975
Energy: 1.2063865237510338
Energy: 1.246389273788648
Energy: 1.2209316064947133
Energy: 1.246389273788648
Energy: 1.2195955756960302
Energy: 1.2446188641050229
Energy: 1.2611364987591513
Energy: 1.2446188641050229
Energy: 1.2195955756960302
Energy: 1.2446188641050229
Energy: 0.990139126375868
Energy: 1.2715116939179507
Energy: 0.9588273885507355
Energy: 1.2790065773267443
Energy: 0.990139126375868
Energy: 1.2715116939188014
Energy: 0.987658444204664
Energy: 1.2243604211220551
Energy: 1.138968618604718
Energy: 1.2243604211220551
Energy: 0.987658444204664
Energy: 1.2243604211220551
Energy: 0.9591133909454174
Energy: 1.2464880626524373
Energy: 0.9556857101606656
Energy: 1.2464880626524373
Energy: 0.9591133909454174
Energy: 1.2464880626524373
Energy: 1.2081986777565636
Energy: 1.2452980533159144
Energy: 0.9559719450838027
Energy: 1.2452980533159144
Energy: 1.2081986777565636
Energy: 1.2452980533159144
Energy: 0.9557104689648427
Energy: 1.257966330149488
Energy: 0.956309557416689
Energy: 1.278928086377917
Energy: 0.9557104689656933
Energy: 1.257966330149488
Energy: 1.1922266447055159
Energy: 1.2598466837480033
Energy: 1.0091123661381884
Energy: 1.2598466837480033
Energy: 1.1922266447063665
Energy: 1.2598466837480033
Energy: 0.9584026394658426
Energy: 1.2466338834894994
Energy: 0.9880545994954281
Energy: 1.2466338834894994
Energy: 0.9584026394658426
Energy: 1.2466338834894994
Energy: 1.1906012730109041
Energy: 1.1930087132847544
Energy: 0.9557210625102199
Energy: 1.1930087132847544
Energy: 1.1906012730117548
Energy: 1.1930087132847544
Energy: 1.2071697442637432
Energy: 1.2713861432654565
Energy: 1.108290956641809
Energy: 1.2789293120427356
Energy: 1.2071697442637432
Energy: 1.257545232326767
Energy: 1.2245918870969146
Energy: 1.1966330574545296
Energy: 0.9881947960779558
Energy: 1.1966330574545296
Energy: 1.2245918870969146
Energy: 1.1966330574545296
Energy: 0.958313837186864
Energy: 1.2465449808423514
Energy: 1.0294411112185586
Energy: 1.2465449808423514
Energy: 0.9583138371877145
Energy: 1.2465449808423514
Energy: 1.2089380816353263
Energy: 1.1648860248714854
Energy: 0.9558772871713567
Energy: 1.1648860248714854
Energy: 1.2089380816353263
Energy: 1.1648860248714854
Energy: 0.9554937164991204
Energy: 1.2246943814080171
Energy: 0.9910115158587008
Energy: 1.2004854290042724
Energy: 0.9554937164991204
Energy: 1.2246943814080171
Energy: 1.098405677075727
Energy: 1.2244380258778547
Energy: 0.9551527855499802
Energy: 1.2244380258778547
Energy: 1.098405677075727
Energy: 1.2244380258778547
Energy: 0.9589225586256382
Energy: 1.1629180301709268
Energy: 0.958577567430278
Energy: 1.1629180301700763
Energy: 0.9589225586256382
Energy: 1.1629180301700763
Energy: 1.058069392717808
Energy: 1.2448204765574196
Energy: 0.9582739802787423
Energy: 1.2448204765574196
Energy: 1.058069392717808
Energy: 1.2448204765574196
Energy: 0.9902257074202585
Energy: 1.2245497345892091
Energy: 1.1898513564074888
Energy: 1.2173794162808975
Energy: 0.990225707419408
Energy: 1.2245497345892091
Energy: 1.2187810821088505
Energy: 1.2448943609800778
Energy: 1.2605503350191698
Energy: 1.2448943609800778
Energy: 1.2187810821088505
Energy: 1.2448943609809284
Energy: 0.9592686244581721
Energy: 1.1659255677847267
Energy: 1.2606462348058562
Energy: 1.1659255677847267
Energy: 0.9592686244581721
Energy: 1.1659255677847267
Energy: 0.9879824812663308
Energy: 1.244708943161377
Energy: 0.9586394796484191
Energy: 1.2447089431622274
Energy: 0.9879824812663308
Energy: 1.2447089431622274
Energy: 0.9905269743897195
Energy: 1.2439680482080577
Energy: 1.1897198801169824
Energy: 1.2439680482089086
Energy: 0.9905269743897195
Energy: 1.2439680482089086
Energy: 0.9559807152419241
Energy: 1.2446822711152046
Energy: 0.9553077877092823
Energy: 1.244682271116055
Energy: 0.9559807152419241
Energy: 1.244682271116055

minimum gb energy = 0.9551527855499802 eV
minimum distance =  2.24867579167648 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.275059860709895
Energy: 1.0679394632744057
Energy: 0.9445274692912213
Energy: 1.0679394632744057
Energy: 1.275059860709298
Energy: 1.0679394632744057
Energy: 1.6468084120230442
Energy: 0.8833074068700681
Energy: 0.8486360720410785
Energy: 0.8833074068712622
Energy: 1.6468084120230442
Energy: 0.8833074068712622
Energy: 1.2488194733674476
Energy: 1.1278563125476988
Energy: 0.8804684758304903
Energy: 1.1278563125500871
Energy: 1.2488194733674476
Energy: 1.1278563125500871
Energy: 1.5671542033388157
Energy: 0.8793206348448923
Energy: 0.8698365925286409
Energy: 0.8793206348436985
Energy: 1.5671542033406067
Energy: 0.8793206348436985
Energy: 0.973654918418968
Energy: 1.106592361765452
Energy: 0.8647002043267412
Energy: 1.1065923617648552
Energy: 0.973654918418968
Energy: 1.1065923617648552
Energy: 1.4160096130398991
Energy: 1.0838681910237602
Energy: 0.8923773833160022
Energy: 1.083868191024357
Energy: 1.4160096130398991
Energy: 1.0838681910249541
Energy: 0.9630686128051079
Energy: 1.0869638952319072
Energy: 0.8979372890973946
Energy: 1.086963895229519
Energy: 0.963068612804511
Energy: 1.086963895229519
Energy: 1.3503608964559801
Energy: 1.0896475163858481
Energy: 0.8971013459446734
Energy: 1.089647516385251
Energy: 1.350360896456577
Energy: 1.089647516385251
Energy: 0.8667147920591106
Energy: 1.1060646637620257
Energy: 1.0371036834969207
Energy: 1.1060646637620257
Energy: 0.8667147920591106
Energy: 1.1060646637620257
Energy: 1.1087186004673866
Energy: 1.1026741338250154
Energy: 1.1033540716700672
Energy: 1.1026741338250154
Energy: 1.1087186004673866
Energy: 1.1026741338250154
Energy: 0.8661551676908805
Energy: 1.0762580253844343
Energy: 1.1149629377154497
Energy: 1.0762580253838372
Energy: 0.8661551676908805
Energy: 1.0762580253838372
Energy: 1.2646217687663153
Energy: 1.1226079662430577
Energy: 1.1382685781332427
Energy: 1.1226079662412667
Energy: 1.264621768766912
Energy: 1.1226079662418638
Energy: 0.9808994763841783
Energy: 1.0983853824366212
Energy: 1.3491531647832076
Energy: 1.0983853824354273
Energy: 0.9808994763841783
Energy: 1.0983853824354273
Energy: 0.9934636950902296
Energy: 1.1139209051647245
Energy: 1.3497588384407122
Energy: 1.1139209051629335
Energy: 0.9934636950908267
Energy: 1.1139209051629335
Energy: 0.9917100420778131
Energy: 1.0769071980166898
Energy: 1.3493280305636302
Energy: 1.0769071980154958
Energy: 0.9917100420778131
Energy: 1.0769071980154958
Energy: 0.9850945142831985
Energy: 1.1226917394643998
Energy: 1.148953410726628
Energy: 1.1226917394643998
Energy: 0.9850945142831985
Energy: 1.122691739463803
Energy: 1.0265306625592443
Energy: 1.099865205503656
Energy: 1.3465446846376072
Energy: 1.099865205501268
Energy: 1.0265306625592443
Energy: 1.099865205501268
Energy: 0.8659493969677063
Energy: 1.113553839220094
Energy: 1.103391699737951
Energy: 1.1135538392189004
Energy: 0.8659493969683032
Energy: 1.1135538392189004
Energy: 1.1140604285644464
Energy: 1.0918699295761152
Energy: 1.1155027735441951
Energy: 1.0918699295749212
Energy: 1.1140604285620581
Energy: 1.0918699295743244
Energy: 0.8675642476659167
Energy: 1.1154740617642027
Energy: 0.8938111629986126
Energy: 1.1154740617636059
Energy: 0.8675642476659167
Energy: 1.1154740617636059
Energy: 1.1048292049940522
Energy: 1.1013144482067505
Energy: 1.058913970655604
Energy: 1.1013144482085417
Energy: 1.1048292049940522
Energy: 1.1013144482091388
Energy: 0.8941208140239901
Energy: 1.1134043579435657
Energy: 0.8926273778884088
Energy: 1.1134043579435657
Energy: 0.8941208140239901
Energy: 1.1134043579435657
Energy: 1.4226904534296765
Energy: 1.102479482414333
Energy: 0.8967950004316455
Energy: 1.102479482414333
Energy: 1.4226904534266913
Energy: 1.1024794824137358
Energy: 0.9196415133087189
Energy: 1.115553778581272
Energy: 0.8700941613622699
Energy: 1.115553778579481
Energy: 0.9196415133087189
Energy: 1.115553778579481
Energy: 1.4199967221000684
Energy: 1.0472894941073663
Energy: 0.9829804631903378
Energy: 1.0472894941061723
Energy: 1.4199967221000684
Energy: 1.0472894941073663
Energy: 1.1481804917218
Energy: 1.122032527051797
Energy: 0.883015936210346
Energy: 1.1220325270506029
Energy: 1.1481804917223968
Energy: 1.1220325270506029
Energy: 1.6442988005457457
Energy: 0.8790505419848053
Energy: 0.8532240193376975
Energy: 0.8790505419848053
Energy: 1.6442988002259238
Energy: 0.8790505419830686
Energy: 1.1760857618434704
Energy: 1.1157632120691254
Energy: 0.9911101733213912
Energy: 1.1157632120720562
Energy: 1.1760857618434704
Energy: 1.1157632120720562
Energy: 1.421015047080305
Energy: 1.0470237480837536
Energy: 0.9829731384125312
Energy: 1.0470237480849478
Energy: 1.421015047079111
Energy: 1.0470237480855444
Energy: 1.1477959250089478
Energy: 1.1219535125749682
Energy: 1.0523570687548633
Energy: 1.1219535125749682
Energy: 1.1477959250089478
Energy: 1.1219535125749682
Energy: 1.4209363819435061
Energy: 0.8808695016646318
Energy: 0.865871163799492
Energy: 0.880869501665229
Energy: 1.4209363819333574
Energy: 0.880869501665229
Energy: 0.919365695731171
Energy: 1.101746009670446
Energy: 1.0277424031220617
Energy: 1.1017460096728338
Energy: 0.919365695731768
Energy: 1.1017460096728338
Energy: 1.2645427887715486
Energy: 1.080674092929505
Energy: 0.867175610966855
Energy: 1.080674092928908
Energy: 1.2645427887703546
Energy: 1.080674092928908
Energy: 0.8986556297000984
Energy: 1.0881039228600558
Energy: 1.1972773962462198
Energy: 1.088103922859459
Energy: 0.8986556297006952
Energy: 1.0881039228600558
Energy: 1.273233855639883
Energy: 1.0884999060671872
Energy: 0.8933520971344922
Energy: 1.088499906067784
Energy: 1.2732338556386886
Energy: 1.0884999060683809
Energy: 0.8670151401420736
Energy: 1.0805807403093861
Energy: 1.1850995917654532
Energy: 1.080580740307595
Energy: 0.8670151401420736
Energy: 1.080580740307595
Energy: 1.0546561528728142
Energy: 1.1018215396429432
Energy: 0.9190170105420277
Energy: 1.1018215396435398
Energy: 1.0546561528728142
Energy: 1.1018215396429432
Energy: 0.8658868430473234
Energy: 0.8805891785883053
Energy: 1.4221205993182913
Energy: 0.8805891785883053
Energy: 0.8658868430473234
Energy: 0.8805891785889023
Energy: 1.0885349500639319
Energy: 1.1222543202195678
Energy: 1.142620803860158
Energy: 1.1222543202195678
Energy: 1.088534950063335
Energy: 1.1222543202195678
Energy: 0.9393735327298062
Energy: 1.0729959448575612
Energy: 1.4257635979197798
Energy: 1.0729959448575612
Energy: 0.9393735327298062
Energy: 1.0729959448575612
Energy: 0.9916733448015259
Energy: 1.1117000928653744
Energy: 1.1653117342574106
Energy: 1.1117000928635836
Energy: 0.9916733448021231
Energy: 1.1117000928641805
Energy: 0.8534181742508483
Energy: 0.8676209050120962
Energy: 1.6351560687079918
Energy: 0.8676209050120962
Energy: 0.8534181742508483
Energy: 0.8676209050126932
Energy: 0.8830475582523699
Energy: 1.122296692741568
Energy: 1.1386989956695714
Energy: 1.122296692742165
Energy: 0.8830475582523699
Energy: 1.122296692742165
Energy: 0.9402550125887339
Energy: 1.060950614363834
Energy: 1.4201920524075398
Energy: 1.060950614366222
Energy: 0.9402550125887339
Energy: 1.060950614365625
Energy: 0.8703229244577384
Energy: 1.115497520672567
Energy: 0.9190017081484225
Energy: 1.11549752067197
Energy: 0.8703229244577384
Energy: 1.11549752067197
Energy: 0.8963080846706871
Energy: 1.1025428398324046
Energy: 1.4235897283474064
Energy: 1.1025428398324046
Energy: 0.8963080846724781
Energy: 1.1025428398324046
Energy: 0.8923489931288022
Energy: 1.1135089228508361
Energy: 0.8945937621736324
Energy: 1.1135089228508361
Energy: 0.8923489931282053
Energy: 1.1135089228508361

minimum gb energy = 0.8486360720410785 eV
minimum distance =  2.28413914231664 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.25718394914832765
Energy: 0.25809961848704305
Energy: 0.2576761818653097
Energy: 0.25809961848704305
Energy: 0.25718394914832765
Energy: 0.2580996184878592
Energy: 0.2636136311497455
Energy: 0.7997180346549573
Energy: 0.6291227636038034
Energy: 0.7997180346549573
Energy: 0.2636136311501535
Energy: 0.7997180346549573
Energy: 0.25718394914832765
Energy: 0.2580996184874511
Energy: 0.2576761818657178
Energy: 0.2580996184874511
Energy: 0.25718394914832765
Energy: 0.25809961848704305
Energy: 0.2636136311497455
Energy: 0.7997180346553654
Energy: 0.6291228151154056
Energy: 0.7997180346549573
Energy: 0.2636136311497455
Energy: 0.7997180346549573
Energy: 0.25718394914796494
Energy: 0.2580996184874511
Energy: 0.2576761818653097
Energy: 0.2580996184874511
Energy: 0.25718394914832765
Energy: 0.2580996184874511
Energy: 0.2636136311497455
Energy: 0.7997180346549573
Energy: 0.6291228555377667
Energy: 0.7997180346545945
Energy: 0.2636136311501535
Energy: 0.7997180346545945
Energy: 0.25718394914832765
Energy: 0.25809961848704305
Energy: 0.2576761818653097
Energy: 0.2580996184878592
Energy: 0.25718394914832765
Energy: 0.2580996184874511

minimum gb energy = 0.25718394914796494 eV
minimum distance =  2.43404412458779 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.3996778402645138
Energy: 1.0876313402398612
Energy: 0.9673147289993274
Energy: 1.0876313402398612
Energy: 1.3996778402645138
Energy: 1.0876313402398612
Energy: 1.5929709216952692
Energy: 0.8541892440980585
Energy: 0.8384283147316896
Energy: 0.8541892440980585
Energy: 1.592970921697984
Energy: 0.8541892440975155
Energy: 1.2511196195367
Energy: 1.100094452935364
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Energy: 1.3474043475008912
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Energy: 1.3474043475014341
Energy: 1.094919834111837
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Energy: 1.0956638911742498
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Energy: 0.84139501724958
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Energy: 1.3085394133936528
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Energy: 1.0371238775274971
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Energy: 1.1189506938053952
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Energy: 1.0371238775274971
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Energy: 0.8327771160889148
Energy: 1.0123390825484
Energy: 1.2990987165730659
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Energy: 0.8327771160889148
Energy: 1.0123390825484
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Energy: 1.0697459189420413
Energy: 1.063322453791206
Energy: 1.0697459189420413
Energy: 0.8324168463609061
Energy: 1.0697459189420413
Energy: 0.8468110892068641
Energy: 1.0301348595832178
Energy: 1.3077274528140395
Energy: 1.0301348595832178
Energy: 0.8468110892068641
Energy: 1.0301348595832178
Energy: 0.83583972949968
Energy: 1.097315833016896
Energy: 1.3249224291846367
Energy: 1.097315833016353
Energy: 0.8358397294991371
Energy: 1.097315833016896
Energy: 0.8328449163438503
Energy: 0.8521722234398967
Energy: 1.4567155014212447
Energy: 0.8521722234404397
Energy: 0.8328449163433074
Energy: 0.8521722234409826
Energy: 0.8470900862072455
Energy: 1.1159019904635805
Energy: 1.347881119242531
Energy: 1.1159019904635805
Energy: 0.8470900862072455
Energy: 1.1159019904635805
Energy: 0.8468707666215101
Energy: 0.8642943581409975
Energy: 1.4665667984182136
Energy: 0.8642943581409975
Energy: 0.8468707666215101
Energy: 0.8642943581409975
Energy: 0.8613923999070517
Energy: 1.0974537932629322
Energy: 1.320216784267838
Energy: 1.0974537932634751
Energy: 0.8613923999070517
Energy: 1.0974537932634751
Energy: 0.8326215459990337
Energy: 0.8471314185419617
Energy: 1.4562033363957525
Energy: 0.8471314185419617
Energy: 0.8326215459995767
Energy: 0.8471314185414188
Energy: 0.8468846792683857
Energy: 1.0695120576359487
Energy: 1.1108890390568467
Energy: 1.0695120576364918
Energy: 0.8468846792683857
Energy: 1.0695120576364918
Energy: 0.8507941030399774
Energy: 0.8397780974678538
Energy: 1.1812271953113873
Energy: 0.8397780974683968
Energy: 0.8507941030399774
Energy: 0.8397780974678538
Energy: 1.0434396138229578
Energy: 1.0637303821187303
Energy: 1.0935282754831106
Energy: 1.0637303821187303
Energy: 1.0434396138235007
Energy: 1.0637303821187303

minimum gb energy = 0.8320444241985436 eV
minimum distance =  2.27593913542565 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.362775610254469
Energy: 0.9613440156875144
Energy: 1.0950065317750997
Energy: 0.9613440156875144
Energy: 1.362775610253724
Energy: 0.9613440156875144
Energy: 1.2315793355985716
Energy: 0.9636402290542369
Energy: 0.9271817668872449
Energy: 0.9636402290542369
Energy: 1.2315793355985716
Energy: 0.9636402290542369
Energy: 1.3748199301472912
Energy: 1.232459440880631
Energy: 1.0728788742034732
Energy: 1.2324594408813763
Energy: 1.3748199301472912
Energy: 1.2324594408813763
Energy: 1.2187478342217675
Energy: 0.9292399766122763
Energy: 0.9270363493588446
Energy: 0.9292399766122763
Energy: 1.2187478342217675
Energy: 0.929239976611531
Energy: 0.9686953773113411
Energy: 0.9225234977882604
Energy: 1.0147238015906497
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Energy: 0.9686953773113411
Energy: 0.9225234977882604
Energy: 1.0764528893272296
Energy: 0.9354798337556801
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Energy: 0.9354798337564252
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Energy: 0.9265984885802415
Energy: 1.0836217583469758
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Energy: 0.9265984885802415
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Energy: 0.9409488819695195
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Energy: 0.9222203179677435
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Energy: 1.324019260916498
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Energy: 0.9222203179677435
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Energy: 0.925642472210379
Energy: 1.223080029661789
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Energy: 0.9256424722111241
Energy: 1.223080029661789
Energy: 0.9256658175966943
Energy: 0.9741662685101132
Energy: 1.2156267737140982
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Energy: 0.9256658175974395
Energy: 0.9741662685093682
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Energy: 1.24401909764186
Energy: 0.9541431279202609
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Energy: 0.9227664155730582
Energy: 1.24401909764186
Energy: 0.9222619446209201
Energy: 0.9381025572217996
Energy: 1.148531728628966
Energy: 0.9381025572225448
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Energy: 0.9381025572217996
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Energy: 1.2244704040326289
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Energy: 1.232788899507196
Energy: 0.9313032050224739
Energy: 1.232788899506451
Energy: 1.2132767002806113
Energy: 1.232788899506451
Energy: 1.2451269030164873
Energy: 1.2445586110363367
Energy: 0.9272430302018411
Energy: 1.2445586110363367
Energy: 1.2451269030157421
Energy: 1.2445586110363367
Energy: 1.2459917315918299
Energy: 1.224019562042594
Energy: 1.1591163621557605
Energy: 1.2240195620418488
Energy: 1.2459917315918299
Energy: 1.2240195620418488
Energy: 1.2398333177257341
Energy: 1.2234747415350478
Energy: 0.9312748788285986
Energy: 1.223474741535793
Energy: 1.2398333177242438
Energy: 1.223474741535793
Energy: 1.6092622789328062
Energy: 1.2234791481697616
Energy: 0.9312634952225506
Energy: 1.2234791481705065
Energy: 1.6092622789305704
Energy: 1.2234791481705065
Energy: 1.2452228900878677
Energy: 1.2241730105170792
Energy: 1.0950975283802569
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Energy: 1.2452228900878677
Energy: 1.2241730105170792
Energy: 1.2405357871911626
Energy: 1.2445099670910071
Energy: 0.9271719993604861
Energy: 1.2445099670917525
Energy: 1.2405357871904172
Energy: 1.2445099670917525
Energy: 1.2133776877627267
Energy: 1.2327845563904662
Energy: 0.9313110463032138
Energy: 1.2327845563904662
Energy: 1.2133776877627267
Energy: 1.2327845563904662
Energy: 1.2246164520885034
Energy: 1.223156862502317
Energy: 0.9275120106437125
Energy: 1.223156862502317
Energy: 1.2246164520885034
Energy: 1.223156862502317
Energy: 0.9223587427687525
Energy: 0.9384978744276101
Energy: 1.0685675157531198
Energy: 0.9384978744283552
Energy: 0.9223587427687525
Energy: 0.9384978744283552
Energy: 0.9227683258633765
Energy: 1.2438840220424143
Energy: 0.9539764194539259
Energy: 1.2438840220424143
Energy: 0.9227683258633765
Energy: 1.2438840220424143
Energy: 0.9256446024594969
Energy: 0.9741662685101132
Energy: 1.215726463181328
Energy: 0.9741662685101132
Energy: 0.925644602460242
Energy: 0.9741662685101132
Energy: 0.9256783772050294
Energy: 1.2229151831569918
Energy: 1.2423376771937205
Energy: 1.2229151831569918
Energy: 0.9256783772050294
Energy: 1.2229151831569918
Energy: 0.922236454386204
Energy: 1.207987541097508
Energy: 1.2328085859657625
Energy: 1.207987541097508
Energy: 0.922236454386204
Energy: 1.207987541097508
Energy: 0.9409829664168836
Energy: 1.2435415949975248
Energy: 1.291232957736734
Energy: 1.2435415949967799
Energy: 0.9409829664168836
Energy: 1.2435415949967799
Energy: 0.9257160507884936
Energy: 0.9272821598507555
Energy: 1.2406808577143285
Energy: 0.9272821598507555
Energy: 0.9257160507884936
Energy: 0.9272821598507555
Energy: 0.9760315814350651
Energy: 1.2229757629927411
Energy: 1.2419255757827996
Energy: 1.2229757629927411
Energy: 0.9760315814350651
Energy: 1.2229757629927411
Energy: 0.9222775915915151
Energy: 0.9239379273312817
Energy: 1.080271481732636
Energy: 0.9239379273312817
Energy: 0.9222775915915151
Energy: 0.9239379273312817
Energy: 0.9413060305396524
Energy: 0.9309187524946664
Energy: 0.9539558382623958
Energy: 0.9309187524946664
Energy: 0.9413060305396524
Energy: 0.9309187524946664
Energy: 0.9441160017167095
Energy: 0.927169109697751
Energy: 1.083777164127364
Energy: 0.9271691096992414
Energy: 0.9441160017174547
Energy: 0.9271691096984962

minimum gb energy = 0.9222203179677435 eV
minimum distance =  2.29508418675902 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5604749763837893
Energy: 1.34524632810706
Energy: 1.145894958002197
Energy: 1.34524632810706
Energy: 1.5604749763837893
Energy: 1.34524632810706
Energy: 1.3657459271048502
Energy: 1.0488187140568745
Energy: 0.9869082290788692
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Energy: 1.3657459271048502
Energy: 1.0488187140568745
Energy: 1.0544335541379208
Energy: 0.9848009886776576
Energy: 1.1458529860234563
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Energy: 1.0544335541379208
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Energy: 0.989042607835207
Energy: 0.9878365709687257
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Energy: 1.3699011453666263
Energy: 0.989042607835207
Energy: 1.0059469035102626
Energy: 0.9869107157518935
Energy: 0.9984734852653495
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Energy: 1.0059469035102626
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Energy: 1.005959905081814
Energy: 0.9925518933766796
Energy: 0.9868746908225787
Energy: 0.9925518933757641
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Energy: 0.9855570783493568
Energy: 1.189946159870189
Energy: 0.9855570783502721
Energy: 0.9845013700444065
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Energy: 1.0372488067522458
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Energy: 1.0665236278433392
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Energy: 0.9863107217184686
Energy: 0.9877981044304907
Energy: 1.3876398736232274
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Energy: 0.9863107217184686
Energy: 0.9877981044304907
Energy: 1.0102631511705327
Energy: 1.331805933934516
Energy: 1.45161930700971
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Energy: 1.0102631511705327
Energy: 1.331805933934516
Energy: 0.9845827103728165
Energy: 1.3247458471931226
Energy: 1.176945417363313
Energy: 1.3247458471931226
Energy: 0.9845827103728165
Energy: 1.3247458471931226
Energy: 0.9865549466538912
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Energy: 1.037184546259164
Energy: 0.9849415538256494
Energy: 0.9865549466538912
Energy: 0.9849415538247341
Energy: 0.9862055057578704
Energy: 0.9868692102133794
Energy: 1.1717643206056378
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Energy: 0.9862055057569551
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Energy: 0.9859208672912717
Energy: 1.330508362396184
Energy: 0.9869925866943973
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Energy: 0.9847536342293662
Energy: 0.9870324157477691
Energy: 0.9944657535936989
Energy: 0.9870324157477691
Energy: 0.9847536342293662
Energy: 0.9870324157477691
Energy: 1.3654822656184042
Energy: 0.9870234291545424
Energy: 0.9876961118956431
Energy: 0.9870234291545424
Energy: 1.3654822656184042
Energy: 0.9870234291545424
Energy: 1.3658759181136622
Energy: 0.9936958597712607
Energy: 1.1717067486633996
Energy: 0.9936958597712607
Energy: 1.3658759181136622
Energy: 0.9936958597712607
Energy: 1.4334514151556108
Energy: 1.3319154539759175
Energy: 0.9909305145322371
Energy: 1.3319154539759175
Energy: 1.4334514151546955
Energy: 1.3319154539759175
Energy: 1.451943096966078
Energy: 1.329865747536465
Energy: 0.9940454640606428
Energy: 1.329865747536465
Energy: 1.451943096966078
Energy: 1.3298657475373803
Energy: 1.3655601895956744
Energy: 1.3468382396497964
Energy: 0.9875948834097217
Energy: 1.3468382396497964
Energy: 1.3655601895956744
Energy: 1.3468382396497964
Energy: 1.3659434124664092
Energy: 1.3739303123540803
Energy: 0.9869540085120064
Energy: 1.3739303123540803
Energy: 1.3659434124664092
Energy: 1.3739303123540803
Energy: 0.985271211081835
Energy: 0.9865528112354268
Energy: 0.991270158468035
Energy: 0.9865528112363422
Energy: 0.985271211081835
Energy: 0.9865528112363422
Energy: 0.9851516445254298
Energy: 1.3301392792066182
Energy: 0.9863113835798469
Energy: 1.3301392792066182
Energy: 0.9851516445254298
Energy: 1.3301392792066182
Energy: 0.9867420804388676
Energy: 1.3235381521052856
Energy: 0.9889192767344578
Energy: 1.3235381521052856
Energy: 0.9867420804388676
Energy: 1.3235381521052856
Energy: 0.9862079645703707
Energy: 1.3738268223589243
Energy: 1.0382930855713137
Energy: 1.3738268223589243
Energy: 0.9862079645703707
Energy: 1.3738268223589243
Energy: 0.9849896448804427
Energy: 1.3244743046518188
Energy: 1.3714743621784387
Energy: 1.3244743046518188
Energy: 0.9849896448804427
Energy: 1.3244743046518188
Energy: 0.9864887076634199
Energy: 1.330027743003909
Energy: 1.4511092111590589
Energy: 1.330027743003909
Energy: 0.9864887076634199
Energy: 1.330027743003909
Energy: 0.9868952271149727
Energy: 1.313748361314852
Energy: 1.2245549507769793
Energy: 1.3137483613157674
Energy: 0.9868952271149727
Energy: 1.313748361314852
Energy: 1.0633519466652093
Energy: 0.9924290111687442
Energy: 1.0383399398734474
Energy: 0.9924290111678288
Energy: 1.0633519466661248
Energy: 0.9924290111687442
Energy: 0.985070288685331
Energy: 0.9859184869054937
Energy: 1.1762090539609067
Energy: 0.9859184869045782
Energy: 0.985070288685331
Energy: 0.9859184869045782
Energy: 0.9969125321297961
Energy: 0.9866777971915154
Energy: 0.9860669711318221
Energy: 0.9866777971915154
Energy: 0.9969125321297961
Energy: 0.9866777971915154

minimum gb energy = 0.9845013700444065 eV
minimum distance =  2.3011692878819 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.3608866579807137
Energy: 1.4815283287469339
Energy: 1.2397893862164862
Energy: 1.4815283287469339
Energy: 1.3608866579807137
Energy: 1.4815283287469339
Energy: 1.2443580122647768
Energy: 1.1363680183267493
Energy: 1.072171010910795
Energy: 1.136368018325564
Energy: 1.2443580122647768
Energy: 1.136368018325564
Energy: 1.2735713830385638
Energy: 1.4649640707608893
Energy: 1.3937862852932807
Energy: 1.464964070759704
Energy: 1.2735713830385638
Energy: 1.464964070759704
Energy: 1.2241654561074797
Energy: 1.0681206538714534
Energy: 1.0923310588835624
Energy: 1.0681206538714534
Energy: 1.2241654561074797
Energy: 1.0681206538714534
Energy: 1.0898582201161466
Energy: 1.077708324510353
Energy: 1.2363573713703095
Energy: 1.077708324510353
Energy: 1.0898582201161466
Energy: 1.0777083245091676
Energy: 1.0819627133213634
Energy: 1.452705399249295
Energy: 1.2393571960019054
Energy: 1.4527053992481098
Energy: 1.0819627133213634
Energy: 1.452705399249295
Energy: 1.0681304948842143
Energy: 1.0653356379241814
Energy: 1.0811781404543883
Energy: 1.0653356379241814
Energy: 1.0681304948842143
Energy: 1.0653356379241814
Energy: 1.0708110029239923
Energy: 1.0712592815245676
Energy: 1.1574252364467355
Energy: 1.0712592815245676
Energy: 1.0708110029239923
Energy: 1.0712592815245676
Energy: 1.0678994087315221
Energy: 1.1009355776493652
Energy: 1.208612021820417
Energy: 1.1009355776505505
Energy: 1.0678994087315221
Energy: 1.1009355776505505
Energy: 1.2087037888016947
Energy: 1.4388639041238969
Energy: 1.231900589443345
Energy: 1.4388639041238969
Energy: 1.2087037888016947
Energy: 1.4388639041238969
Energy: 1.2180941986249856
Energy: 1.0696008239369275
Energy: 1.2134867552498372
Energy: 1.0696008239381125
Energy: 1.2180941986238
Energy: 1.0696008239381125
Energy: 1.2341346992145048
Energy: 1.068063653302835
Energy: 1.0926055244062682
Energy: 1.068063653302835
Energy: 1.2341346992145048
Energy: 1.068063653302835
Energy: 1.2332479298731738
Energy: 1.4198771095812088
Energy: 1.094799212760448
Energy: 1.4198771095812088
Energy: 1.2332479298731738
Energy: 1.4198771095812088
Energy: 1.2427025336057558
Energy: 1.0678179325226995
Energy: 1.0690047159651472
Energy: 1.0678179325215145
Energy: 1.2427025336057558
Energy: 1.0678179325215145
Energy: 1.2427818639553765
Energy: 1.468335149987035
Energy: 1.0731620158451958
Energy: 1.468335149987035
Energy: 1.2427818639541914
Energy: 1.468335149987035
Energy: 1.2336774847162444
Energy: 1.307348352256057
Energy: 1.072377826612974
Energy: 1.307348352256057
Energy: 1.2336774847162444
Energy: 1.3073483522572418
Energy: 1.2335590229649294
Energy: 1.0682346343848017
Energy: 1.2184713060637662
Energy: 1.0682346343836164
Energy: 1.2335590229649294
Energy: 1.0682346343836164
Energy: 1.2190700171714655
Energy: 1.0934706849106897
Energy: 1.2189607482429878
Energy: 1.0934706849106897
Energy: 1.2190700171714655
Energy: 1.0934706849106897
Energy: 1.2182873001886882
Energy: 1.068851169836554
Energy: 1.2337045202296009
Energy: 1.068851169836554
Energy: 1.2182873001886882
Energy: 1.068851169836554
Energy: 1.0699357694063627
Energy: 1.4641932934687323
Energy: 1.2341320802234113
Energy: 1.4641932934687323
Energy: 1.0699357694063627
Energy: 1.4641932934687323
Energy: 1.0781639009976265
Energy: 1.434218713698467
Energy: 1.0700750137096826
Energy: 1.434218713699652
Energy: 1.0781639009976265
Energy: 1.434218713699652
Energy: 1.0688829853766595
Energy: 1.0656821791108673
Energy: 1.0691201322034911
Energy: 1.0656821791096824
Energy: 1.0688829853766595
Energy: 1.069383167712981
Energy: 1.2450474893691406
Energy: 1.307895729496762
Energy: 1.2335176318993084
Energy: 1.3078957294943914
Energy: 1.2450474893691406
Energy: 1.3078957294955764
Energy: 1.0907181216020565
Energy: 1.068391410135774
Energy: 1.226591725941939
Energy: 1.068391410135774
Energy: 1.0907181216020565
Energy: 1.0683914101369594

minimum gb energy = 1.0653356379241814 eV
minimum distance =  2.29647050912789 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.160291742986557
Energy: 1.1590729370713881
Energy: 1.1769716330460713
Energy: 1.1590729370713881
Energy: 1.160291742986557
Energy: 1.1590729370713881
Energy: 1.1771080082607333
Energy: 1.1484168933943133
Energy: 1.1489632523795164
Energy: 1.1484168933943133
Energy: 1.1771080082607333
Energy: 1.1484168933943133
Energy: 1.1506040002717481
Energy: 1.1507396044680116
Energy: 1.154684206677812
Energy: 1.1507396044680116
Energy: 1.1506040002717481
Energy: 1.1507396044680116
Energy: 1.1745439800452682
Energy: 1.1487938553683237
Energy: 1.1489547698923068
Energy: 1.1487938553666477
Energy: 1.1745439800435922
Energy: 1.1487938553666477
Energy: 1.1472511707908826
Energy: 1.1480275547009375
Energy: 1.1508028855552992
Energy: 1.1480275547009375
Energy: 1.1472511707908826
Energy: 1.1480275547009375
Energy: 1.1487012856187722
Energy: 1.1592142983351856
Energy: 1.1605186160370529
Energy: 1.1592142983351856
Energy: 1.1487012856187722
Energy: 1.1592142983351856
Energy: 1.153117264020852
Energy: 1.3242899630156646
Energy: 1.1810624625766537
Energy: 1.3242899630156646
Energy: 1.153117264020852
Energy: 1.3242899630139886
Energy: 1.1479864546780214
Energy: 1.4367802093207
Energy: 1.1490500040846316
Energy: 1.4367802093207
Energy: 1.1479864546780214
Energy: 1.4367802093207
Energy: 1.1472950925263512
Energy: 1.1476132121207354
Energy: 1.2143063694514038
Energy: 1.1476132121207354
Energy: 1.1472950925280274
Energy: 1.1476132121207354
Energy: 1.159627122319636
Energy: 1.1314761981064418
Energy: 1.149069643538752
Energy: 1.1314761981064418
Energy: 1.159627122319636
Energy: 1.1314761981064418
Energy: 1.1621219357471089
Energy: 1.1480397790325025
Energy: 1.1570115430983379
Energy: 1.1480397790308643
Energy: 1.1621219357471089
Energy: 1.1480397790325025
Energy: 1.147466534392225
Energy: 1.1509309878094018
Energy: 1.154409360158806
Energy: 1.150930987811078
Energy: 1.147466534390549
Energy: 1.150930987811078
Energy: 1.1474962939630506
Energy: 1.2973963007959117
Energy: 1.147796180539237
Energy: 1.2973963007959117
Energy: 1.1474962939630506
Energy: 1.2973963007959117
Energy: 1.1479678113820924
Energy: 1.148032096154048
Energy: 1.1492861511878525
Energy: 1.148032096154048
Energy: 1.1479678113820924
Energy: 1.148032096154048
Energy: 1.1527836938259286
Energy: 1.4162198660332983
Energy: 1.1597842573999066
Energy: 1.4162198660332983
Energy: 1.1527836938259286
Energy: 1.4162198660332983
Energy: 1.1539512654348985
Energy: 1.1486336902703258
Energy: 1.1604135439972934
Energy: 1.1486336902720018
Energy: 1.1539512654348985
Energy: 1.1486336902720018
Energy: 1.1575916025929291
Energy: 1.1492008359774073
Energy: 1.1478591368953082
Energy: 1.1492008359774073
Energy: 1.1575916025929291
Energy: 1.1492008359757313

minimum gb energy = 1.1314761981064418 eV
minimum distance =  2.27471979453223 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.7127483310681493
Energy: 1.5594815711830288
Energy: 1.273724874319081
Energy: 1.5594815711830288
Energy: 1.7127483310681493
Energy: 1.5594815711830288
Energy: 1.417224420858673
Energy: 1.148627323758213
Energy: 1.135392132453931
Energy: 1.148627323758213
Energy: 1.417224420858673
Energy: 1.148627323758213
Energy: 1.1414554780042736
Energy: 1.2384192392151143
Energy: 1.1313751714422462
Energy: 1.2384192392151143
Energy: 1.1414554780049209
Energy: 1.2384192392151143
Energy: 1.1461493366417275
Energy: 1.1314154133836236
Energy: 1.2495192882091104
Energy: 1.1314154133842709
Energy: 1.1461493366417275
Energy: 1.131415413382329
Energy: 1.1350447853451073
Energy: 1.1866467369419305
Energy: 1.4536222801448033
Energy: 1.1866467369419305
Energy: 1.1350447853451073
Energy: 1.1866467369419305
Energy: 1.2618280823693042
Energy: 1.1392012371706826
Energy: 1.2786780923245185
Energy: 1.1392012371700355
Energy: 1.2618280823686567
Energy: 1.1392012371700355
Energy: 1.1362998169724818
Energy: 1.2600782618421278
Energy: 1.4149931096262716
Energy: 1.2600782618421278
Energy: 1.1362998169724818
Energy: 1.2600782618421278
Energy: 1.3984467267490885
Energy: 1.1333990586374048
Energy: 1.1341112784809844
Energy: 1.13339905863611
Energy: 1.3984467267490885
Energy: 1.1333990586354628
Energy: 1.2803634810565472
Energy: 1.1388431253803881
Energy: 1.152898506658561
Energy: 1.1388431253803881
Energy: 1.2803634810559
Energy: 1.1388431253803881
Energy: 1.3942000473757539
Energy: 1.2221643804297755
Energy: 1.1364776341797853
Energy: 1.2221643804304227
Energy: 1.394200047373812
Energy: 1.2221643804304227
Energy: 1.25108519392079
Energy: 1.3786078452735429
Energy: 1.2448378851105264
Energy: 1.3786078452741901
Energy: 1.2510851939214371
Energy: 1.3786078452741901
Energy: 1.1466679384754526
Energy: 1.1469330458082276
Energy: 1.1484143650393637
Energy: 1.1469330458082276
Energy: 1.1466679384760998
Energy: 1.1469330458075804
Energy: 1.1378749292758328
Energy: 1.1353796465599069
Energy: 1.4279477782181171
Energy: 1.1353796465599069
Energy: 1.1378749292758328
Energy: 1.1353796465599069
Energy: 1.158844681512746
Energy: 1.4134517297105391
Energy: 1.629790600159438
Energy: 1.4134517297098919
Energy: 1.158844681512746
Energy: 1.4134517297105391
Energy: 1.1516105949926787
Energy: 1.3865883745729866
Energy: 1.2439931611221358
Energy: 1.386588374574281
Energy: 1.1516105949926787
Energy: 1.3865883745736338
Energy: 1.2506961250632542
Energy: 1.5448296371259977
Energy: 1.1488878721121778
Energy: 1.5448296371259977
Energy: 1.2506961250639013
Energy: 1.5448296371259977
Energy: 1.2590051639271866
Energy: 1.1329678939423915
Energy: 1.1448622649989664
Energy: 1.1329678939423915
Energy: 1.2590051639271866
Energy: 1.1329678939417442
Energy: 1.6092394469412796
Energy: 1.4212523464285765
Energy: 1.1562833838169768
Energy: 1.4212523464285765
Energy: 1.6092394469412796
Energy: 1.4212523464285765
Energy: 1.5279940475758143
Energy: 1.3748895150509841
Energy: 1.1398112424010503
Energy: 1.3748895150516314
Energy: 1.5279940475758143
Energy: 1.3748895150516314
Energy: 1.1459929541774125
Energy: 1.2177387570819147
Energy: 1.1459591338951838
Energy: 1.2177387570819147
Energy: 1.1459929541774125
Energy: 1.2177387570819147
Energy: 1.1397809221690547
Energy: 1.3756585218100537
Energy: 1.4420627805258734
Energy: 1.3756585218094064
Energy: 1.1397809221684074
Energy: 1.3756585218100537
Energy: 1.156294721073926
Energy: 1.4212370490734405
Energy: 1.6092155784684865
Energy: 1.4212370490727932
Energy: 1.156294721073926
Energy: 1.4212370490727932
Energy: 1.153650377603133
Energy: 1.1324745623741987
Energy: 1.2586265100240193
Energy: 1.1324745623741987
Energy: 1.153650377603133
Energy: 1.1324745623748458
Energy: 1.1488890709348376
Energy: 1.3707685768109816
Energy: 1.2509244262788028
Energy: 1.3707685768103341
Energy: 1.1488890709348376
Energy: 1.3707685768103341
Energy: 1.243975983028194
Energy: 1.3861836456708403
Energy: 1.1427386721154755
Energy: 1.3861836456708403
Energy: 1.243975983028194
Energy: 1.3861836456714873
Energy: 1.6712619467464285
Energy: 1.4135754314628526
Energy: 1.1588478004010985
Energy: 1.4135754314634998
Energy: 1.6712619467464285
Energy: 1.4135754314615583
Energy: 1.4275229332660047
Energy: 1.1353734505529742
Energy: 1.1376753768015448
Energy: 1.135373450552327
Energy: 1.4275229332666521
Energy: 1.1353734505529742
Energy: 1.148434249928375
Energy: 1.146818659050845
Energy: 1.146561306083259
Energy: 1.1468186590482559
Energy: 1.1484342499277276
Energy: 1.146818659053434
Energy: 1.2446549107414244
Energy: 1.3784023606638518
Energy: 1.2509506273996787
Energy: 1.3784023606632045
Energy: 1.2446549107407772
Energy: 1.3784023606638518
Energy: 1.1364968306734355
Energy: 1.1876818272798693
Energy: 1.3941835163848277
Energy: 1.1876818272798693
Energy: 1.1364968306734355
Energy: 1.1876818272798693
Energy: 1.1529060048374185
Energy: 1.1387795320849967
Energy: 1.2803726957512973
Energy: 1.1387795320856438
Energy: 1.1529060048374185
Energy: 1.1387795320849967
Energy: 1.134114209868534
Energy: 1.133084246907368
Energy: 1.398419008268573
Energy: 1.1330842469067208
Energy: 1.134114209869181
Energy: 1.133084246907368
Energy: 1.4147721816554548
Energy: 1.260040069453835
Energy: 1.1363151993079461
Energy: 1.260040069453835
Energy: 1.4147721816554548
Energy: 1.260040069453835
Energy: 1.2787075565722448
Energy: 1.1386952372005523
Energy: 1.2623563742125117
Energy: 1.138695237199905
Energy: 1.2787075565715975
Energy: 1.138695237199905
Energy: 1.453761650861268
Energy: 1.1866467369419305
Energy: 1.1350413212045747
Energy: 1.1866467369419305
Energy: 1.4537616508632099
Energy: 1.1866467369419305
Energy: 1.2496888245432443
Energy: 1.1313217161153377
Energy: 1.1462906289092394
Energy: 1.1313217161140434
Energy: 1.2496888245432443
Energy: 1.1313217161140434
Energy: 1.1314186157423256
Energy: 1.2384068300648028
Energy: 1.1414636550307462
Energy: 1.2384068300648028
Energy: 1.1314186157416786
Energy: 1.2384068300648028
Energy: 1.13539254964325
Energy: 1.1486270925804003
Energy: 1.4170947092248183
Energy: 1.1486270925810473
Energy: 1.13539254964325
Energy: 1.1486270925804003
Energy: 1.408739789665819
Energy: 1.5594815711823817
Energy: 1.7127483310681493
Energy: 1.5594815711830288
Energy: 1.408739789665819
Energy: 1.5594815711830288
Energy: 1.1353921324545782
Energy: 1.148627323758213
Energy: 1.417224420858673
Energy: 1.148627323758213
Energy: 1.1353921324545782
Energy: 1.148627323758213
Energy: 1.1313751714558382
Energy: 1.2384192392144668
Energy: 1.1414554780042736
Energy: 1.2384192392144668
Energy: 1.1313751714545437
Energy: 1.2384192392144668
Energy: 1.2495192882091104
Energy: 1.1314154133829766
Energy: 1.1461493366417275
Energy: 1.131415413382329
Energy: 1.2495192882091104
Energy: 1.131415413382329
Energy: 1.4536222801448033
Energy: 1.1866467369419305
Energy: 1.1350447853444599
Energy: 1.1866467369425777
Energy: 1.453622280144156
Energy: 1.1866467369425777

minimum gb energy = 1.1313217161140434 eV
minimum distance =  2.25883831936195 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.3037123623448712
Energy: 1.1060537708682787
Energy: 1.466005689603552
Energy: 1.1060537708651172
Energy: 1.3037123623448712
Energy: 1.106053770867225
Energy: 1.2358469500779417
Energy: 1.114790371807597
Energy: 1.1151789435487376
Energy: 1.1147903718097047
Energy: 1.2358469500779417
Energy: 1.1147903718107588
Energy: 1.1053450656878425
Energy: 1.271316178172431
Energy: 1.217253584043625
Energy: 1.2713161781703233
Energy: 1.1053450656878425
Energy: 1.2713161781703233
Energy: 1.3191043670866485
Energy: 1.2666137098197552
Energy: 1.2667144766477394
Energy: 1.2666137098187011
Energy: 1.3191043670866485
Energy: 1.2666137098187011
Energy: 1.108234781131025
Energy: 1.174757958155115
Energy: 1.3188919183929315
Energy: 1.1747579581540613
Energy: 1.108234781131025
Energy: 1.174757958155115
Energy: 1.2813006800347777
Energy: 1.2666427934847828
Energy: 1.2668323701118347
Energy: 1.2666427934847828
Energy: 1.2813006800358315
Energy: 1.2666427934847828
Energy: 1.1082697227834364
Energy: 1.280388107308503
Energy: 1.1194668793778297
Energy: 1.2803881073095569
Energy: 1.1082697227834364
Energy: 1.2803881073095569
Energy: 1.1067876337071887
Energy: 1.1861648518618715
Energy: 1.1151420511461099
Energy: 1.1861648518618715
Energy: 1.1067876337071887
Energy: 1.1861648518618715
Energy: 1.3055102892534802
Energy: 1.1055643721368347
Energy: 1.1202728006221065
Energy: 1.1055643721378885
Energy: 1.3055102892534802
Energy: 1.1055643721378885
Energy: 1.216961465050138
Energy: 1.1166755031923834
Energy: 1.1204559142376829
Energy: 1.1166755031934372
Energy: 1.2169614650490843
Energy: 1.1166755031934372
Energy: 1.1083895298456918
Energy: 1.1065962078589684
Energy: 1.2680074809877373
Energy: 1.1065962078579146
Energy: 1.1083895298456918
Energy: 1.1065962078579146
Energy: 1.190827085698993
Energy: 1.2681504973368116
Energy: 1.27034862827566
Energy: 1.2681504973368116
Energy: 1.190827085698993
Energy: 1.2681504973368116
Energy: 1.1141749720976262
Energy: 1.2708875893037392
Energy: 1.2679541170376132
Energy: 1.2708875893047933
Energy: 1.1141749720976262
Energy: 1.2708875893047933
Energy: 1.280727139265131
Energy: 1.3058972373330844
Energy: 1.2704051635634068
Energy: 1.3058972373341384
Energy: 1.2807271392661848
Energy: 1.3058972373362463
Energy: 1.1168565562520627
Energy: 1.282207329110489
Energy: 1.1219065959421453
Energy: 1.2822073291094354
Energy: 1.1168565562520627
Energy: 1.282207329110489
Energy: 1.1076458335034192
Energy: 1.1875224005549054
Energy: 1.1206126456287708
Energy: 1.1875224005496359
Energy: 1.1076458335023656
Energy: 1.1875224005496359
Energy: 1.3123625865960384
Energy: 1.2566961642926204
Energy: 1.1272538189612689
Energy: 1.2566961642894587
Energy: 1.3123625865960384
Energy: 1.256696164294728
Energy: 1.280393782759938
Energy: 1.2623206893584393
Energy: 1.1231158505376593
Energy: 1.2623206893584393
Energy: 1.2803937827588843
Energy: 1.2623206893594934
Energy: 1.11728698440527
Energy: 1.1098580341445219
Energy: 1.2795448251022465
Energy: 1.1098580341455755
Energy: 1.11728698440527
Energy: 1.1098580341476834
Energy: 1.269379963876702
Energy: 1.2598909799754554
Energy: 1.2784373779257856
Energy: 1.2598909799754554
Energy: 1.2693799638745944
Energy: 1.2598909799775633
Energy: 1.1141203100019996
Energy: 1.260766569145975
Energy: 1.2673731538165094
Energy: 1.2607665691449212
Energy: 1.1141203100019996
Energy: 1.2607665691428134
Energy: 1.1231362718003468
Energy: 1.1065322776249311
Energy: 1.2788783635934031
Energy: 1.1065322776259852
Energy: 1.1231362718003468
Energy: 1.1065322776259852
Energy: 1.1179538140956151
Energy: 1.272995009759885
Energy: 1.127895389535707
Energy: 1.272995009759885
Energy: 1.1179538140945615
Energy: 1.2729950097609388
Energy: 1.3178094054304084
Energy: 1.26398200117427
Energy: 1.121698733795022
Energy: 1.2639820011753236
Energy: 1.3178094054304084
Energy: 1.26398200117427
Energy: 1.3041375178131418
Energy: 1.2549414910425831
Energy: 1.1255561556531366
Energy: 1.2549414910425831
Energy: 1.3041375178131418
Energy: 1.2549414910436372
Energy: 1.1228859311710253
Energy: 1.2836275980347867
Energy: 1.127040577257331
Energy: 1.2836275980347867
Energy: 1.1228859311710253
Energy: 1.2836275980347867
Energy: 1.118035300627579
Energy: 1.1072449304759748
Energy: 1.2740809070788266
Energy: 1.1072449304738672
Energy: 1.1180353006265253
Energy: 1.1072449304738672

minimum gb energy = 1.1053450656878425 eV
minimum distance =  2.30269000743598 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.3628702415095761
Energy: 1.178942703148825
Energy: 1.3494174303822208
Energy: 1.178942703148825
Energy: 1.3628702415095761
Energy: 1.1789427031495932
Energy: 1.2330459034715775
Energy: 1.1753288119584508
Energy: 1.1580738511035262
Energy: 1.1753288119584508
Energy: 1.2330459034715775
Energy: 1.1753288119584508
Energy: 1.1574236359924734
Energy: 1.3105048350722466
Energy: 1.1580710758751653
Energy: 1.3105048350730146
Energy: 1.1574236359924734
Energy: 1.3105048350730146
Energy: 1.368099901808137
Energy: 1.1574486330342846
Energy: 1.3080611197625696
Energy: 1.1574486330335165
Energy: 1.368099901808137
Energy: 1.1574486330335165
Energy: 1.156895790067433
Energy: 1.2329333715271662
Energy: 1.278259217956929
Energy: 1.2329333715263986
Energy: 1.1568957900666652
Energy: 1.2329333715263986
Energy: 1.2905024382367376
Energy: 1.2896505114027677
Energy: 1.1787295432206677
Energy: 1.2896505114027677
Energy: 1.2905024382367376
Energy: 1.2896505114027677
Energy: 1.1803776914637008
Energy: 1.290123522385777
Energy: 1.1759653957206402
Energy: 1.290123522385777
Energy: 1.1803776914637008
Energy: 1.290123522385777
Energy: 1.3006344220532051
Energy: 1.2330781973212972
Energy: 1.1563104994616562
Energy: 1.2330781973212972
Energy: 1.3006344220532051
Energy: 1.2330781973212972
Energy: 1.3091340195365597
Energy: 1.1573354679039032
Energy: 1.3128100990126297
Energy: 1.1573354679046708
Energy: 1.3091340195365597
Energy: 1.1573354679046708
Energy: 1.3994721000101873
Energy: 1.311588098887275
Energy: 1.1619188946546102
Energy: 1.311588098887275
Energy: 1.3994721000101873
Energy: 1.311588098887275
Energy: 1.1596620528345452
Energy: 1.228512105299091
Energy: 1.5314013958114274
Energy: 1.228512105299091
Energy: 1.1596620528345452
Energy: 1.228512105299091
Energy: 1.1757227974312865
Energy: 1.1788428886911406
Energy: 1.366382629704951
Energy: 1.1788428886911406
Energy: 1.1757227974312865
Energy: 1.1788428886919085
Energy: 1.157888615586703
Energy: 1.1759856517811549
Energy: 1.3062700747679006
Energy: 1.1759856517811549
Energy: 1.157888615586703
Energy: 1.1759856517811549
Energy: 1.3082294708399804
Energy: 1.1574105697443615
Energy: 1.161509897334646
Energy: 1.1574105697443615
Energy: 1.3082294708399804
Energy: 1.1574105697443615
Energy: 1.313743995333427
Energy: 1.1581049676654585
Energy: 1.1733250687416878
Energy: 1.1581049676646904
Energy: 1.313743995333427
Energy: 1.1581049676646904
Energy: 1.291101757848444
Energy: 1.3069605170143108
Energy: 1.1551371897359692
Energy: 1.3069605170143108
Energy: 1.291101757847676
Energy: 1.3069605170143108
Energy: 1.1780222647396033
Energy: 1.178474722480751
Energy: 1.2913948715252723
Energy: 1.178474722479983
Energy: 1.1780222647388354
Energy: 1.178474722480751
Energy: 1.1780945108458623
Energy: 1.2922335395569706
Energy: 1.177868182493757
Energy: 1.2922335395577385
Energy: 1.1780945108458623
Energy: 1.2922335395569706
Energy: 1.1731285420820567
Energy: 1.1765232813531028
Energy: 1.307979009141245
Energy: 1.176523281352335
Energy: 1.1731285420820567
Energy: 1.176523281352335
Energy: 1.1573824497265017
Energy: 1.2894484933865695
Energy: 1.3081626223286915
Energy: 1.2894484933865695
Energy: 1.1573824497265017
Energy: 1.2894484933865695
Energy: 1.1574050466316061
Energy: 1.313231330212103
Energy: 1.1751210226787627
Energy: 1.313231330212103
Energy: 1.1574050466308383
Energy: 1.313231330212103
Energy: 1.6903550833089864
Energy: 1.1637468899455645
Energy: 1.157807995826367
Energy: 1.1637468899455645
Energy: 1.6903550833089864
Energy: 1.1637468899455645
Energy: 1.803097258136845
Energy: 1.1560742643371544
Energy: 1.1748420300563938
Energy: 1.1560742643371544
Energy: 1.803097258137613
Energy: 1.1560742643363868
Energy: 1.157076897557703
Energy: 1.302304659665192
Energy: 1.1746861499817602
Energy: 1.3023046596659595
Energy: 1.157076897557703
Energy: 1.3023046596659595
Energy: 1.157618131132359
Energy: 1.3006541990373217
Energy: 1.3085245752881123
Energy: 1.3006541990365539
Energy: 1.157618131132359
Energy: 1.3006541990373217
Energy: 1.172801387325102
Energy: 1.332220954886942
Energy: 1.3079259399179053
Energy: 1.332220954886942
Energy: 1.1728013873258698
Energy: 1.332220954886174
Energy: 1.175341932641874
Energy: 1.4975901657562882
Energy: 1.2903094362265832
Energy: 1.4975901657562882
Energy: 1.175341932641874
Energy: 1.4975901657562882
Energy: 1.2905320867448948
Energy: 1.2770465038407142
Energy: 1.2904989110183944
Energy: 1.2770465038407142
Energy: 1.2905320867448948
Energy: 1.2770465038407142
Energy: 1.290302716626625
Energy: 1.497592787528759
Energy: 1.1566815015821512
Energy: 1.497592787528759
Energy: 1.290302716626625
Energy: 1.497592787528759
Energy: 1.3079763648432563
Energy: 1.3321403101826843
Energy: 1.172759787435633
Energy: 1.3321403101819165
Energy: 1.3079763648432563
Energy: 1.3321403101819165
Energy: 1.3083005892627853
Energy: 1.2943238562636092
Energy: 1.1574656667850642
Energy: 1.2943238562636092
Energy: 1.3083005892627853
Energy: 1.2943238562636092
Energy: 1.1746691212581433
Energy: 1.3022782203102035
Energy: 1.1570740187843653
Energy: 1.3022782203102035
Energy: 1.1746691212581433
Energy: 1.3022782203102035
Energy: 1.174836856877177
Energy: 1.1560584829226346
Energy: 1.5753462225473027
Energy: 1.1560584829218667
Energy: 1.174836856876409
Energy: 1.1560584829210987
Energy: 1.1580666288885124
Energy: 1.1639072317713928
Energy: 1.690431927364032
Energy: 1.1639072317706247
Energy: 1.1580666288885124
Energy: 1.1639072317706247
Energy: 1.1751288568768794
Energy: 1.3135582411247562
Energy: 1.1573595229074394
Energy: 1.3135582411247562
Energy: 1.1751288568768794
Energy: 1.3135582411247562
Energy: 1.3081792397589467
Energy: 1.2892335147941372
Energy: 1.1573569874018923
Energy: 1.2892335147941372
Energy: 1.3081792397589467
Energy: 1.2892335147941372

minimum gb energy = 1.1551371897359692 eV
minimum distance =  2.28488264653309 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.1970256802914667
Energy: 1.1980063720080958
Energy: 1.1973617140041353
Energy: 1.1980063720078071
Energy: 1.1970256802914667
Energy: 1.1980063720078071
Energy: 1.1984626181349523
Energy: 1.1979448033982187
Energy: 1.1970491879450844
Energy: 1.1979448033985074
Energy: 1.1984626181357858
Energy: 1.1979448033985074
Energy: 1.1970472941371284
Energy: 1.1979479485763405
Energy: 1.6137073837982996
Energy: 1.1979479485760518
Energy: 1.197047294137385
Energy: 1.1979479485760518
Energy: 1.1973617140038466
Energy: 1.198006372007519
Energy: 1.1970256802914667
Energy: 1.198006372007519
Energy: 1.1973617140038466
Energy: 1.198006372007519
Energy: 1.1970491879450844
Energy: 1.1979448033982187
Energy: 1.1984626181349523
Energy: 1.19794480339793
Energy: 1.1970491879450844
Energy: 1.19794480339793
Energy: 1.6137073837985882
Energy: 1.1979479485760518
Energy: 1.1970472941371284
Energy: 1.1979479485760518
Energy: 1.6137073837982996
Energy: 1.1979479485760518
Energy: 1.1970256802914667
Energy: 1.1980063720078071
Energy: 1.1973617140035582
Energy: 1.198006372007519
Energy: 1.1970256802914667
Energy: 1.1980063720078071
Energy: 1.1984626181352087
Energy: 1.1979448033985074
Energy: 1.1970491879450844
Energy: 1.1979448033982187
Energy: 1.1984626181354974
Energy: 1.1979448033982187
Energy: 1.197047294137385
Energy: 1.1979479485760518
Energy: 1.1797577076273502
Energy: 1.1979479485760518
Energy: 1.197047294137385
Energy: 1.1979479485763405
Energy: 1.1973617140029813
Energy: 1.198006372007519
Energy: 1.1970256802914667
Energy: 1.1980063720080958
Energy: 1.1973617140029813
Energy: 1.1980063720078071

minimum gb energy = 1.1797577076273502 eV
minimum distance =  2.25712762239817 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.6348008835474597
Energy: 1.1590741479859081
Energy: 1.1517244414754941
Energy: 1.159074147985064
Energy: 1.6348008835474597
Energy: 1.1590741479842197
Energy: 1.1587285709364548
Energy: 1.181465186943908
Energy: 1.127015242522134
Energy: 1.181465186944752
Energy: 1.1587285709356108
Energy: 1.181465186944752
Energy: 1.147476250143747
Energy: 1.1478747270830434
Energy: 1.2392690169199083
Energy: 1.1478747270838874
Energy: 1.147476250143747
Energy: 1.1478747270830434
Energy: 1.1496932411101697
Energy: 1.3888641999766231
Energy: 1.186561301820036
Energy: 1.3888641999766231
Energy: 1.1496932411101697
Energy: 1.3888641999766231
Energy: 1.1602349945777355
Energy: 1.1586181136221585
Energy: 1.1294975441427537
Energy: 1.1586181136221585
Energy: 1.1602349945777355
Energy: 1.1586181136221585
Energy: 1.1577378271091356
Energy: 1.2213295627093228
Energy: 1.1296468291261095
Energy: 1.2213295627093228
Energy: 1.1577378271082917
Energy: 1.2213295627093228
Energy: 1.1604845614284398
Energy: 1.1587457578144957
Energy: 1.1804716922299219
Energy: 1.1587457578136513
Energy: 1.1604845614284398
Energy: 1.1587457578136513
Energy: 1.159084637086391
Energy: 1.127541957486967
Energy: 1.1902441896203326
Energy: 1.1275419574861614
Energy: 1.159084637086391
Energy: 1.1275419574878114
Energy: 1.1479861481699565
Energy: 1.1475932318243265
Energy: 1.3701543739079967
Energy: 1.1475932318243265
Energy: 1.1479861481699565
Energy: 1.1475932318243265
Energy: 1.1484064668089684
Energy: 1.1824171280973366
Energy: 1.1267781237909498
Energy: 1.1824171280973366
Energy: 1.1484064668089684
Energy: 1.1824171280973366
Energy: 1.6162606825684656
Energy: 1.127032557321552
Energy: 1.1821145795128425
Energy: 1.1270325573207078
Energy: 1.6162606825684656
Energy: 1.127032557321552
Energy: 1.6180878594337609
Energy: 1.243160273237386
Energy: 1.1265066292386459
Energy: 1.2431602732390745
Energy: 1.6180878594337609
Energy: 1.243160273239919
Energy: 1.1486384484671772
Energy: 1.2584512548568256
Energy: 1.1269530062815611
Energy: 1.2584512548534486
Energy: 1.1486384484671772
Energy: 1.2584512548542928
Energy: 1.1470599337574583
Energy: 1.2557785528450474
Energy: 1.1855980153475634
Energy: 1.255778552844203
Energy: 1.1470599337583023
Energy: 1.2557785528433587
Energy: 1.1584770649554494
Energy: 1.2483382566500416
Energy: 1.1851753381268872
Energy: 1.2483382566491974
Energy: 1.1584770649554494
Energy: 1.2483382566491974
Energy: 1.1590249401882913
Energy: 1.1825635372683367
Energy: 1.1273748348701804
Energy: 1.1825635372683367
Energy: 1.1590249401882913
Energy: 1.1825635372683367
Energy: 1.1587844034079544
Energy: 1.1826550779126852
Energy: 1.127607280984581
Energy: 1.1826550779109966
Energy: 1.1587844034087986
Energy: 1.1826550779118408
Energy: 1.158509445528319
Energy: 1.2792108144614625
Energy: 1.1857641632911364
Energy: 1.2792108144623069
Energy: 1.158509445528319
Energy: 1.2792108144623069
Energy: 1.148224672198053
Energy: 1.2567144131310828
Energy: 1.185572324328595
Energy: 1.2567144131302384
Energy: 1.148224672198053
Energy: 1.2567144131293941
Energy: 1.1479818723502886
Energy: 1.1837083213447885
Energy: 1.1267155069238861
Energy: 1.1837083213447885
Energy: 1.1479818723502886
Energy: 1.1837083213447885
Energy: 1.6157550390578508
Energy: 1.2421007862262674
Energy: 1.1266235295224716
Energy: 1.2421007862271114
Energy: 1.6157550390578508
Energy: 1.2421007862262674
Energy: 1.6145307840942882
Energy: 1.1261314921223762
Energy: 1.1821225205103185
Energy: 1.1261314921215322
Energy: 1.6145307840942882
Energy: 1.1261314921215322
Energy: 1.1481796755559877
Energy: 1.1826768047722074
Energy: 1.1269712149591324
Energy: 1.1826768047713632
Energy: 1.1481796755559877
Energy: 1.1826768047713632
Energy: 1.147966004990892
Energy: 1.1473982368587898
Energy: 1.602514185760571
Energy: 1.1473982368587898
Energy: 1.147966004990892
Energy: 1.1473982368587898
Energy: 1.1588989973672719
Energy: 1.2816443607471573
Energy: 1.1853869901135343
Energy: 1.281644360746313
Energy: 1.1588989973672719
Energy: 1.2816443607471573
Energy: 1.1627404182061278
Energy: 1.2745437908908335
Energy: 1.221451942434744
Energy: 1.2745437908916777
Energy: 1.1627404182061278
Energy: 1.274543790889989
Energy: 1.158737650817524
Energy: 1.1820370882906217
Energy: 1.1295739122199717
Energy: 1.1820370882889335
Energy: 1.158737650817524
Energy: 1.1820370882889335
Energy: 1.1627582468167268
Energy: 1.243779389220993
Energy: 1.1295437272073832
Energy: 1.2437793892201487
Energy: 1.1627582468158826
Energy: 1.2437793892201487
Energy: 1.2580777104211658
Energy: 1.1268397077309327
Energy: 1.1879093790367519
Energy: 1.1268397077317769
Energy: 1.2580777104203213
Energy: 1.1268397077317769
Energy: 1.148201924029327
Energy: 1.1478677701596907
Energy: 1.356856974698557
Energy: 1.147867770161379
Energy: 1.148201924029327
Energy: 1.147867770160535
Energy: 1.2200509475034507
Energy: 1.1817529782311738
Energy: 1.128940945468512
Energy: 1.181752978232018
Energy: 1.2200509475026062
Energy: 1.181752978232018
Energy: 1.613454829163072
Energy: 1.1591807034739694
Energy: 1.1806920525151623
Energy: 1.159180703473125
Energy: 1.613454829163072
Energy: 1.159180703472281
Energy: 1.155801717488689
Energy: 1.1813338211047126
Energy: 1.12639087880563
Energy: 1.1813338211055573
Energy: 1.1558017174878448
Energy: 1.1813338211055573

minimum gb energy = 1.1261314921215322 eV
minimum distance =  2.24384089043274 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.1484909741375002
Energy: 1.090009158658919
Energy: 1.5388727377459834
Energy: 1.090009158658919
Energy: 1.1484909741375002
Energy: 1.0900091586577159
Energy: 1.5236290977208053
Energy: 1.1002238622844605
Energy: 1.0910981767895054
Energy: 1.1002238622844605
Energy: 1.5236290977208053
Energy: 1.1002238622844605
Energy: 1.0903049894999888
Energy: 1.1888356932584434
Energy: 1.3171711716835155
Energy: 1.1888356932584434
Energy: 1.0903049894999888
Energy: 1.1888356932572404
Energy: 1.5396592590093885
Energy: 1.176256876798734
Energy: 1.0883122508840708
Energy: 1.1762568767975308
Energy: 1.5396592590093885
Energy: 1.176256876798734
Energy: 1.090301552398872
Energy: 1.1726197697920009
Energy: 1.1021440724053333
Energy: 1.1726197697920009
Energy: 1.090301552398872
Energy: 1.1726197697907979
Energy: 1.0890423943542247
Energy: 1.1010937463412986
Energy: 1.091337141689748
Energy: 1.1010937463400954
Energy: 1.0890423943542247
Energy: 1.1010937463412986
Energy: 1.090383865181748
Energy: 1.1007924667461928
Energy: 1.1035463294439893
Energy: 1.1007924667461928
Energy: 1.090383865180545
Energy: 1.1007924667461928
Energy: 1.1008852493898522
Energy: 1.4411205316725897
Energy: 1.664924036476718
Energy: 1.4411205316725897
Energy: 1.100885249388649
Energy: 1.4411205316713867
Energy: 1.1114692516637408
Energy: 1.1551555184597322
Energy: 1.6554179399821716
Energy: 1.1551555184609352
Energy: 1.1114692516637408
Energy: 1.1551555184609352
Energy: 1.100896363305469
Energy: 1.1017338598694142
Energy: 1.107969825760812
Energy: 1.1017338598694142
Energy: 1.100896363305469
Energy: 1.1017338598694142
Energy: 1.0995579149078791
Energy: 1.101446636932893
Energy: 1.1045968878948156
Energy: 1.101446636932893
Energy: 1.0995579149078791
Energy: 1.101446636932893
Energy: 1.088427618394275
Energy: 1.164753740866872
Energy: 1.0882217299947279
Energy: 1.164753740866872
Energy: 1.088427618394275
Energy: 1.164753740866872
Energy: 1.1047117906518324
Energy: 1.101639099443363
Energy: 1.0995469759499854
Energy: 1.101639099443363
Energy: 1.1047117906506294
Energy: 1.1016390994445662
Energy: 1.108254103640861
Energy: 1.101679367643706
Energy: 1.1006924154796682
Energy: 1.101679367643706
Energy: 1.108254103640861
Energy: 1.101679367643706
Energy: 1.6554070670340175
Energy: 1.1552226348056533
Energy: 1.1112165746718894
Energy: 1.15522263480445
Energy: 1.6554070670340175
Energy: 1.15522263480445
Energy: 1.6647316592765107
Energy: 1.4411381910043275
Energy: 1.1008219796690428
Energy: 1.4411381910043275
Energy: 1.6647316592765107
Energy: 1.4411381910055308
Energy: 1.1032411471751278
Energy: 1.1009801626510107
Energy: 1.0854587386447396
Energy: 1.1009801626498075
Energy: 1.1032411471739247
Energy: 1.1009801626498075
Energy: 1.091290712576126
Energy: 1.1010293422598156
Energy: 1.089318211050936
Energy: 1.1010293422598156
Energy: 1.091290712576126
Energy: 1.1010293422598156
Energy: 1.1024282858676289
Energy: 1.1675360232303176
Energy: 1.0903442190048307
Energy: 1.1675360232303176
Energy: 1.1024282858688317
Energy: 1.1675360232291145
Energy: 1.0883156999177026
Energy: 1.176420060486633
Energy: 1.5396284427142215
Energy: 1.176420060486633
Energy: 1.0883156999189056
Energy: 1.1764200604878359
Energy: 1.3165750136742367
Energy: 1.1888356932572404
Energy: 1.0853402445645668
Energy: 1.1888356932572404
Energy: 1.3165750136742367
Energy: 1.1888356932572404
Energy: 1.0910810098227894
Energy: 1.1002427987222188
Energy: 1.523683386805647
Energy: 1.1002427987210157
Energy: 1.0910810098227894
Energy: 1.1002427987210157
Energy: 1.363129360784507
Energy: 1.0900091586601215
Energy: 1.1484909741375002
Energy: 1.0900091586601215
Energy: 1.363129360784507
Energy: 1.0900091586613248

minimum gb energy = 1.0853402445645668 eV
minimum distance =  2.27115135624412 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.4442314032582235
Energy: 1.0671186779238928
Energy: 1.538762836809811
Energy: 1.0671186779238928
Energy: 1.4442314032582235
Energy: 1.0671186779238928
Energy: 1.492146909657926
Energy: 1.0476620516621924
Energy: 1.026483051034177
Energy: 1.0476620516629558
Energy: 1.492146909657926
Energy: 1.0476620516629558
Energy: 1.0304453167984489
Energy: 1.107586716622966
Energy: 1.4919329003635258
Energy: 1.107586716623729
Energy: 1.0304453167984489
Energy: 1.107586716622966
Energy: 1.107692675278892
Energy: 1.0265407877294186
Energy: 1.042965394037436
Energy: 1.0265407877286554
Energy: 1.1076926752781286
Energy: 1.0265407877278923
Energy: 1.3790131891192303
Energy: 1.027326222681053
Energy: 1.356793815038963
Energy: 1.027326222681816
Energy: 1.3790131891192303
Energy: 1.027326222681816
Energy: 1.378974143448132
Energy: 1.2597639556058942
Energy: 1.0341631295399671
Energy: 1.2597639556058942
Energy: 1.3789741434473688
Energy: 1.2597639556058942
Energy: 1.031160799330128
Energy: 1.0477406404688892
Energy: 1.054953121568072
Energy: 1.0477406404688892
Energy: 1.031160799330128
Energy: 1.0477406404688892
Energy: 1.0494725950722812
Energy: 1.0263603977418652
Energy: 1.3808483737701174
Energy: 1.0263603977418652
Energy: 1.0494725950722812
Energy: 1.0263603977433915
Energy: 1.3580877158829063
Energy: 1.2870524714099167
Energy: 1.3809711315782742
Energy: 1.2870524714099167
Energy: 1.3580877158829063
Energy: 1.2870524714099167
Energy: 1.045439530570564
Energy: 1.0459822812443196
Energy: 1.0335402182273623
Energy: 1.0459822812443196
Energy: 1.0454395305713269
Energy: 1.0459822812443196
Energy: 1.0290587803640392
Energy: 1.049073621485892
Energy: 1.0521140917309393
Energy: 1.049073621485892
Energy: 1.0290587803640392
Energy: 1.049073621485129
Energy: 1.0298620854096008
Energy: 1.1084211229993763
Energy: 1.4943399188633995
Energy: 1.1084211230001395
Energy: 1.0298620854096008
Energy: 1.1084211230001395
Energy: 1.3787247339929627
Energy: 1.4905437999361528
Energy: 1.4265367026221032
Energy: 1.4905437999361528
Energy: 1.3787247339929627
Energy: 1.4905437999361528
Energy: 1.02683404736601
Energy: 1.0486738058485787
Energy: 1.0350578261076913
Energy: 1.0486738058478156
Energy: 1.02683404736601
Energy: 1.0486738058478156
Energy: 1.3569285161396862
Energy: 1.1073956557232683
Energy: 1.027353499481744
Energy: 1.1073956557240314
Energy: 1.3569285161396862
Energy: 1.1073956557240314
Energy: 1.0427392675643885
Energy: 1.026505018290736
Energy: 1.499342224736057
Energy: 1.026505018291499
Energy: 1.0427392675643885
Energy: 1.026505018290736
Energy: 1.541673511897628
Energy: 1.0506220339611834
Energy: 1.3907281421656483
Energy: 1.0506220339619468
Energy: 1.541673511897628
Energy: 1.0506220339634729
Energy: 1.0281629291936276
Energy: 1.0473549901181074
Energy: 1.2889494113712454
Energy: 1.0473549901181074
Energy: 1.0281629291936276
Energy: 1.0473549901181074
Energy: 1.294966988611532
Energy: 1.047426180585838
Energy: 1.0274824999509695
Energy: 1.047426180585838
Energy: 1.294966988611532
Energy: 1.047426180585838
Energy: 1.3743083037322599
Energy: 1.0275822318511998
Energy: 1.0478344824764187
Energy: 1.0275822318504366
Energy: 1.3743083037314967
Energy: 1.0275822318511998
Energy: 1.514328701239114
Energy: 1.2806428670319063
Energy: 1.0436151177235689
Energy: 1.2806428670311778
Energy: 1.514328701239114
Energy: 1.2806428670319063
Energy: 1.0285521171564722
Energy: 1.0480364337690071
Energy: 1.3566030511330966
Energy: 1.0480364337697703
Energy: 1.028552117155709
Energy: 1.0480364337697703
Energy: 1.0557907934408632
Energy: 1.0491106493837108
Energy: 1.028020582394683
Energy: 1.0491106493837108
Energy: 1.0557907934408632
Energy: 1.049110649384474
Energy: 1.4230725574807719
Energy: 1.1094879406435771
Energy: 1.0271187858995496
Energy: 1.1094879406435771
Energy: 1.4230725574807719
Energy: 1.1094879406420508
Energy: 1.6896146739913793
Energy: 1.1074644543435435
Energy: 1.033895437292819
Energy: 1.1074644543435435
Energy: 1.6896146739906164
Energy: 1.1074644543420171
Energy: 1.054044132699186
Energy: 1.3837031097024475
Energy: 1.0304143236383116
Energy: 1.3837031097024475
Energy: 1.054044132699186
Energy: 1.3837031097024475
Energy: 1.0304188457922725
Energy: 1.0485245282814208
Energy: 1.358525073296031
Energy: 1.0485245282814208
Energy: 1.0304188457922725
Energy: 1.0485245282814208
Energy: 1.3790518100560418
Energy: 1.270722297477608
Energy: 1.0454041713567008
Energy: 1.2707222974783712
Energy: 1.379051810056805
Energy: 1.270722297477608
Energy: 1.384760803313337
Energy: 1.0269026521312636
Energy: 1.0489430943339155
Energy: 1.0269026521305005
Energy: 1.384760803313337
Energy: 1.0269026521305005
Energy: 1.0496797604881056
Energy: 1.0473511508857178
Energy: 1.028502205526132
Energy: 1.0473511508857178
Energy: 1.0496797604881056
Energy: 1.0473511508857178
Energy: 1.0304107892178478
Energy: 1.2614123606601437
Energy: 1.4911074908704762
Energy: 1.2614123606601437
Energy: 1.0304107892178478
Energy: 1.2614123606601437
Energy: 1.3587193333673646
Energy: 1.050718791209676
Energy: 1.4121024991686462
Energy: 1.050718791209676
Energy: 1.3587193333666014
Energy: 1.0507187912089127
Energy: 1.0424691873438838
Energy: 1.0280868566377237
Energy: 1.0580892566619633
Energy: 1.0280868566377237
Energy: 1.0424691873438838
Energy: 1.0280868566354342
Energy: 1.2882903967518078
Energy: 1.1073000265068544
Energy: 1.0281275128749174
Energy: 1.1073000265076176
Energy: 1.2882903967518078
Energy: 1.1073000265076176
Energy: 1.0264410045712875
Energy: 1.0476323534037402
Energy: 1.2827017704192119
Energy: 1.047632353402977
Energy: 1.0264410045712875
Energy: 1.0476323534037402
Energy: 1.3789860901674171
Energy: 1.0669437547966136
Energy: 1.4202535626976234
Energy: 1.0669437547966136
Energy: 1.3789860901674171
Energy: 1.0669437547966136
Energy: 1.0274094702368617
Energy: 1.109005718105508
Energy: 1.492641079987715
Energy: 1.109005718107034
Energy: 1.0274094702368617
Energy: 1.109005718105508

minimum gb energy = 1.0263603977418652 eV
minimum distance =  2.26581192892363 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.8889151415657309
Energy: 0.8626379014210158
Energy: 1.5148561866611219
Energy: 0.8626379014210158
Energy: 0.8889151415657309
Energy: 0.8626379014230995
Energy: 1.5223419239959448
Energy: 0.8612749496483292
Energy: 0.8627693557069925
Energy: 0.8612749496483292
Energy: 1.5223419239959448
Energy: 0.8612749496483292
Energy: 0.8891890770639912
Energy: 1.0948613392952344
Energy: 1.1638792723521267
Energy: 1.0948613392952344
Energy: 0.8891890770639912
Energy: 1.0948613392952344
Energy: 1.5901741232068873
Energy: 0.8614642207178355
Energy: 0.8628628382549214
Energy: 0.8614642207178355
Energy: 1.5901741232048037
Energy: 0.8614642207178355
Energy: 0.8892558803722124
Energy: 0.8613563584791987
Energy: 0.864244031229412
Energy: 0.8613563584771151
Energy: 0.8892558803722124
Energy: 0.8613563584771151
Energy: 0.8884064579908605
Energy: 0.9051057267151528
Energy: 0.8632980553508014
Energy: 0.9051057267151528
Energy: 0.8884064579908605
Energy: 0.9051057267151528
Energy: 1.603714402227661
Energy: 0.8616140107750292
Energy: 0.863560702747324
Energy: 0.8616140107750292
Energy: 1.603714402227661
Energy: 0.8616140107750292
Energy: 0.8875031879046498
Energy: 0.8618340622647653
Energy: 0.8640937966624831
Energy: 0.8618340622668491
Energy: 0.8875031879046498
Energy: 0.8618340622668491
Energy: 1.5083681580577095
Energy: 0.9048407841562779
Energy: 0.863118914234203
Energy: 0.9048407841583614
Energy: 1.5083681580577095
Energy: 0.9048407841583614
Energy: 0.8891802587427992
Energy: 0.8615866641052352
Energy: 0.8652026060334533
Energy: 0.8615866641052352
Energy: 0.8891802587427992
Energy: 0.8615866641052352
Energy: 1.5151021912740277
Energy: 0.8615660409589042
Energy: 0.8630178172397549
Energy: 0.8615660409589042
Energy: 1.5151021912740277
Energy: 0.8615660409589042
Energy: 0.8893312092814947
Energy: 1.0946072853085491
Energy: 1.4908083588074457
Energy: 1.0946072853085491
Energy: 0.8893312092814947
Energy: 1.0946072853085491
Energy: 1.5152062106709936
Energy: 0.8615794140134532
Energy: 0.8630123137027812
Energy: 0.8615794140134532
Energy: 1.5152062106709936
Energy: 0.8615794140134532
Energy: 0.8891626036851452
Energy: 0.8616463941516888
Energy: 0.8651827229119422
Energy: 0.8616463941537725
Energy: 0.8891626036851452
Energy: 0.8616463941537725

minimum gb energy = 0.8612749496483292 eV
minimum distance =  2.35531484726577 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.5151405235882993
Energy: 1.1874244839921853
Energy: 1.3219887824187455
Energy: 1.1874244839931007
Energy: 1.5151405235892148
Energy: 1.1874244839921853
Energy: 1.1248096391967815
Energy: 1.1499381618774462
Energy: 1.123803445114879
Energy: 1.1499381618774462
Energy: 1.1248096391958662
Energy: 1.1499381618774462
Energy: 1.1243295460974745
Energy: 1.226866375618829
Energy: 1.1239669983483591
Energy: 1.226866375618829
Energy: 1.1243295460974745
Energy: 1.226866375618829
Energy: 1.1496912301548374
Energy: 1.1501565973366892
Energy: 1.123681842216628
Energy: 1.1501565973366892
Energy: 1.1496912301557527
Energy: 1.150156597335774
Energy: 1.1239278750328028
Energy: 1.222281412696779
Energy: 1.14976968866949
Energy: 1.222281412696779
Energy: 1.1239278750328028
Energy: 1.222281412696779
Energy: 1.1584442711148077
Energy: 1.2114497016946564
Energy: 1.1240456462228414
Energy: 1.2114497016946564
Energy: 1.1584442711148077
Energy: 1.2114497016946564
Energy: 1.1498500375245584
Energy: 1.347561302620441
Energy: 1.1545835142541436
Energy: 1.3475613026195254
Energy: 1.1498500375245584
Energy: 1.3475613026195254
Energy: 1.1253638291059314
Energy: 1.1506034036924282
Energy: 1.1237671901499504
Energy: 1.1506034036924282
Energy: 1.1253638291068466
Energy: 1.1506034036924282
Energy: 1.1249754124676414
Energy: 1.2350578351215011
Energy: 1.1235503879309514
Energy: 1.2350578351215011
Energy: 1.1249754124676414
Energy: 1.2350578351215011
Energy: 1.1235879606690689
Energy: 1.1501182067071756
Energy: 1.1501738430310178
Energy: 1.1501182067071756
Energy: 1.1235879606690689
Energy: 1.1501182067071756
Energy: 1.151934624191221
Energy: 1.1238613145330516
Energy: 1.155606072577095
Energy: 1.1238613145321572
Energy: 1.151934624191221
Energy: 1.1238613145330516
Energy: 1.1253344262717688
Energy: 1.2120183044668398
Energy: 1.155373288653837
Energy: 1.2120183044668398
Energy: 1.1253344262717688
Energy: 1.2120183044659243
Energy: 1.123997596480697
Energy: 1.1501340775414224
Energy: 1.1393162592732462
Energy: 1.150134077540507
Energy: 1.123997596480697
Energy: 1.150134077540507
Energy: 1.1508943540011167
Energy: 1.2366309013504277
Energy: 1.1508367865072777
Energy: 1.2366309013504277
Energy: 1.1508943540011167
Energy: 1.2366309013504277
Energy: 1.1236426106651416
Energy: 1.4664652883331777
Energy: 1.1260648668181115
Energy: 1.4664652883331777
Energy: 1.1236426106651416
Energy: 1.4664652883331777
Energy: 1.1526653028148248
Energy: 1.1281640454305364
Energy: 1.1544831550117975
Energy: 1.1281640454305364
Energy: 1.15266530281574
Energy: 1.1281640454305364
Energy: 1.1546298107586945
Energy: 1.3474616384651448
Energy: 1.1244854087073044
Energy: 1.3474616382812457
Energy: 1.1546298107586945
Energy: 1.3474616383214997
Energy: 1.1242183790882303
Energy: 1.4676921389144517
Energy: 1.12349036699159
Energy: 1.4676921389144517
Energy: 1.1242183790882303
Energy: 1.4676921389144517
Energy: 1.150050784372938
Energy: 1.150274139333679
Energy: 1.1501429755466985
Energy: 1.150274139333679
Energy: 1.150050784372938
Energy: 1.1502741393327638
Energy: 1.1236707954285305
Energy: 1.150305291216887
Energy: 1.126466389955428
Energy: 1.150305291217802
Energy: 1.1236707954285305
Energy: 1.150305291217802
Energy: 1.1550634242901419
Energy: 1.2126146489614953
Energy: 1.1244285328887527
Energy: 1.2126146489614953
Energy: 1.1550634242901419
Energy: 1.2126146489614953
Energy: 1.1556359500803377
Energy: 1.1242088164794428
Energy: 1.150824559910705
Energy: 1.1242088164812734
Energy: 1.1556359500794224
Energy: 1.1242088164785273
Energy: 1.1519071555694598
Energy: 1.150210608748892
Energy: 1.1595380518457417
Energy: 1.150210608748892
Energy: 1.1519071555694598
Energy: 1.150210608748892
Energy: 1.12356339890055
Energy: 1.2346756464201172
Energy: 1.124407569365426
Energy: 1.234675646419202
Energy: 1.12356339890055
Energy: 1.234675646419202
Energy: 1.1267257766597718
Energy: 1.1522574807047046
Energy: 1.1241964359087757
Energy: 1.152257480703789
Energy: 1.1267257766597718
Energy: 1.1522574807047046
Energy: 1.1548035799005132
Energy: 1.3494795251104221
Energy: 1.149770291229907
Energy: 1.3494795251104221
Energy: 1.1548035799005132
Energy: 1.3494795251104221
Energy: 1.1242177204335797
Energy: 1.2125580456560106
Energy: 1.1240014415761286
Energy: 1.2125580456560106
Energy: 1.1242177204326642
Energy: 1.2125580456560106
Energy: 1.1498262424618269
Energy: 1.3499591688850645
Energy: 1.1584112698433369
Energy: 1.3499591688841492
Energy: 1.1498262424618269
Energy: 1.3499591688850645
Energy: 1.1242180264183559
Energy: 1.1509672648496083
Energy: 1.149791286534175
Energy: 1.1509672648496083
Energy: 1.1242180264183559
Energy: 1.1509672648496083
Energy: 1.1237528513978803
Energy: 1.1508959221662225
Energy: 1.1255689576594416
Energy: 1.1508959221653072
Energy: 1.1237528513978803
Energy: 1.1508959221653072
Energy: 1.1235848563777988
Energy: 1.152858018030454
Energy: 1.12591494499054
Energy: 1.152858018030454
Energy: 1.1235848563777988
Energy: 1.152858018030454

minimum gb energy = 1.12349036699159 eV
minimum distance =  2.23982185189212 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2632562253657298
Energy: 1.267720360417861
Energy: 1.432501318642541
Energy: 1.2677203604162322
Energy: 1.2632562253657298
Energy: 1.2677203604162322
Energy: 1.2097125319683901
Energy: 1.2589149094493115
Energy: 1.2084771208912173
Energy: 1.2589149094493115
Energy: 1.2097125319683901
Energy: 1.2589149094493115
Energy: 1.202599148625797
Energy: 1.3308712963188345
Energy: 1.208530231189751
Energy: 1.3308712963188345
Energy: 1.202599148625797
Energy: 1.3308712963188345
Energy: 1.2087668120912267
Energy: 1.3282070831234798
Energy: 1.2087750932130428
Energy: 1.3282070831234798
Energy: 1.2087668120912267
Energy: 1.3282070831234798
Energy: 1.2085329449906148
Energy: 1.3308446546070154
Energy: 1.2024507143710519
Energy: 1.3308446546070154
Energy: 1.2085329449906148
Energy: 1.3308446546070154
Energy: 1.208443737650811
Energy: 1.209635361812432
Energy: 1.2097279594766925
Energy: 1.209635361812432
Energy: 1.208443737650811
Energy: 1.209635361812432
Energy: 1.3640436356443455
Energy: 1.267720360417861
Energy: 1.2632562253657298
Energy: 1.267720360417861
Energy: 1.3640436356443455
Energy: 1.267720360417861
Energy: 1.2084771208912173
Energy: 1.2589149094493115
Energy: 1.2097125319683901
Energy: 1.2589149094493115
Energy: 1.2084771208912173
Energy: 1.2589149094493115
Energy: 1.208530231189751
Energy: 1.3308712963204634
Energy: 1.202599148625797
Energy: 1.3308712963204634
Energy: 1.208530231189751
Energy: 1.3308712963188345
Energy: 1.2087750932130428
Energy: 1.352594649186936
Energy: 1.2087668120912267
Energy: 1.3282070831234798
Energy: 1.2087750932130428
Energy: 1.352594649186936
Energy: 1.2024507143710519
Energy: 1.3308446546070154
Energy: 1.2085329449906148
Energy: 1.3308446546070154
Energy: 1.2024507143710519
Energy: 1.3308446546070154
Energy: 1.2097279594766925
Energy: 1.209635361812432
Energy: 1.208443737650811
Energy: 1.209635361812432
Energy: 1.2097279594766925
Energy: 1.209635361812432
Energy: 1.2632562253657298
Energy: 1.2677203604162322
Energy: 1.3640436356443455
Energy: 1.267720360417861
Energy: 1.2632562253657298
Energy: 1.2677203604162322
Energy: 1.2097125319683901
Energy: 1.2589149094493115
Energy: 1.2084771208912173
Energy: 1.2589149094493115
Energy: 1.2097125319683901
Energy: 1.2589149094493115
Energy: 1.202599148625797
Energy: 1.3308712963188345
Energy: 1.208530231189751
Energy: 1.3308712963188345
Energy: 1.202599148625797
Energy: 1.3308712963188345
Energy: 1.2087668120912267
Energy: 1.352594649186936
Energy: 1.2087750932130428
Energy: 1.3420420875273908
Energy: 1.2087668120912267
Energy: 1.3282070831234798
Energy: 1.2085329449906148
Energy: 1.3308446546070154
Energy: 1.2024507143710519
Energy: 1.3308446546070154
Energy: 1.2085329449906148
Energy: 1.3308446546070154

minimum gb energy = 1.2024507143710519 eV
minimum distance =  2.25876576818618 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.3152750426991182
Energy: 1.3058875526002276
Energy: 1.4225848501017457
Energy: 1.3058875526002276
Energy: 1.3152750426991182
Energy: 1.3058875526002276
Energy: 1.2779262918893515
Energy: 1.3499602647602258
Energy: 1.3039969737546804
Energy: 1.3499602647602258
Energy: 1.2779262918893515
Energy: 1.3499602647602258
Energy: 1.3165173080347452
Energy: 1.3167018030119693
Energy: 1.3065296873896677
Energy: 1.3167018030132993
Energy: 1.3165173080347452
Energy: 1.3167018030119693
Energy: 1.3163802671337963
Energy: 1.3175340951454986
Energy: 1.28369542761419
Energy: 1.3175340951454986
Energy: 1.3163802671337963
Energy: 1.3175340951441683
Energy: 1.2777012561935852
Energy: 1.4184569336868702
Energy: 1.3069646942263746
Energy: 1.4184569336882002
Energy: 1.2777012561935852
Energy: 1.4184569336882002
Energy: 1.31641609190944
Energy: 1.3176424929928794
Energy: 1.331201631066767
Energy: 1.3176424929942097
Energy: 1.31641609190944
Energy: 1.3176424929942097
Energy: 1.317559878199781
Energy: 1.483231092753725
Energy: 1.3066005382606112
Energy: 1.4832310927550547
Energy: 1.317559878199781
Energy: 1.483231092753725
Energy: 1.2943180167430757
Energy: 1.3482119936729076
Energy: 1.3038727234399767
Energy: 1.3482119936742376
Energy: 1.2943180167430757
Energy: 1.3482119936742376
Energy: 1.2917244792983196
Energy: 1.3508673435073264
Energy: 1.2841720070074267
Energy: 1.3508673435073264
Energy: 1.2917244792983196
Energy: 1.3508673435073264
Energy: 1.3523240994302388
Energy: 1.571875056734772
Energy: 1.3041724500162144
Energy: 1.571875056734772
Energy: 1.3523240994302388
Energy: 1.571875056734772
Energy: 1.3183839236376418
Energy: 1.36397495870842
Energy: 1.287166478885761
Energy: 1.3639749587097498
Energy: 1.3183839236376418
Energy: 1.3639749587097498
Energy: 1.3156656405469902
Energy: 1.3178841109396005
Energy: 1.2967181592519852
Energy: 1.3178841109382706
Energy: 1.3156656405469902
Energy: 1.3178841109382706
Energy: 1.318110351703467
Energy: 1.3171818352760942
Energy: 1.2987065802699826
Energy: 1.3171818352747642
Energy: 1.318110351703467
Energy: 1.3171818352747642
Energy: 1.315876884815207
Energy: 1.3167817509962332
Energy: 1.2836073884480512
Energy: 1.316781750997563
Energy: 1.315876884815207
Energy: 1.316781750997563
Energy: 1.34745369573135
Energy: 1.4634419564251517
Energy: 1.3222635483684158
Energy: 1.4634419564264816
Energy: 1.34745369573135
Energy: 1.4634419564264816
Energy: 1.291645045542079
Energy: 1.3499424582192574
Energy: 1.2835492598103186
Energy: 1.3499424582205874
Energy: 1.291645045542079
Energy: 1.3499424582205874
Energy: 1.2918751254261298
Energy: 1.3481694850274806
Energy: 1.3130836100961323
Energy: 1.3481694850274806
Energy: 1.2918751254261298
Energy: 1.3481694850274806
Energy: 1.3688754376786938
Energy: 1.4627872765090233
Energy: 1.3042315763606205
Energy: 1.4627872765076935
Energy: 1.3688754376786938
Energy: 1.4627872765076935
Energy: 1.318887342972236
Energy: 1.3179337746501065
Energy: 1.273502921976428
Energy: 1.3179337746501065
Energy: 1.318887342972236
Energy: 1.3179337746501065
Energy: 1.3158126631514233
Energy: 1.4666916659466482
Energy: 1.3044795204219393
Energy: 1.4666916659453184
Energy: 1.3158126631514233
Energy: 1.4666916659453184
Energy: 1.3185313136835857
Energy: 1.3195287674119331
Energy: 1.2937283752477804
Energy: 1.3195287674119331
Energy: 1.3185313136835857
Energy: 1.3195287674132632

minimum gb energy = 1.273502921976428 eV
minimum distance =  2.25137863512804 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.4545816633011845
Energy: 1.3127876032038293
Energy: 1.3677833007572522
Energy: 1.3127876032027082
Energy: 1.4545816633011845
Energy: 1.3127876032027082
Energy: 1.3058158468635843
Energy: 1.2655227591134712
Energy: 1.3001367332385563
Energy: 1.2655227591123503
Energy: 1.3058158468635843
Energy: 1.2655227591134712
Energy: 1.283862433362298
Energy: 1.2841070072417735
Energy: 1.2998606441551832
Energy: 1.2841070072406524
Energy: 1.283862433362298
Energy: 1.2841070072417735
Energy: 1.3184831846390062
Energy: 1.488684568376437
Energy: 1.3002409832600428
Energy: 1.4886845683753163
Energy: 1.3184831846390062
Energy: 1.488684568376437
Energy: 1.2678789888243676
Energy: 1.4994478931762953
Energy: 1.2674517845961697
Energy: 1.4994478931762953
Energy: 1.2678789888243676
Energy: 1.4994478931762953
Energy: 1.3156116349511024
Energy: 1.3179699687956714
Energy: 1.326714691783711
Energy: 1.3179699687956714
Energy: 1.3156116349511024
Energy: 1.3179699687956714
Energy: 1.288249384776636
Energy: 1.4428121829003444
Energy: 1.3341721146292673
Energy: 1.4428121829014655
Energy: 1.288249384776636
Energy: 1.4428121829014655
Energy: 1.2859621432134536
Energy: 1.3492252345756637
Energy: 1.314926445957941
Energy: 1.3492252345745426
Energy: 1.2859621432134536
Energy: 1.3492252345745426
Energy: 1.389026564949245
Energy: 1.4481488745972582
Energy: 1.3678425517491526
Energy: 1.4481488745972582
Energy: 1.389026564948124
Energy: 1.4481488745972582
Energy: 1.285747968343776
Energy: 1.2871289493738085
Energy: 1.314632142491062
Energy: 1.2871289493738085
Energy: 1.285747968343776
Energy: 1.2871289493726878
Energy: 1.285911060940124
Energy: 1.2658972115266105
Energy: 1.3145501758874498
Energy: 1.2658972115266105
Energy: 1.285911060940124
Energy: 1.2658972115266105
Energy: 1.389118123169885
Energy: 1.4968784626729412
Energy: 1.3233419194848242
Energy: 1.4968784626729412
Energy: 1.389118123169885
Energy: 1.4968784626729412
Energy: 1.2861774811219426
Energy: 1.4100042584374253
Energy: 1.334312256633916
Energy: 1.4100042584374253
Energy: 1.2861774811219426
Energy: 1.4100042584374253
Energy: 1.2691179063130322
Energy: 1.4300635348919513
Energy: 1.333915589411643
Energy: 1.4300635348919513
Energy: 1.2691179063130322
Energy: 1.4300635348919513
Energy: 1.3256168949705474
Energy: 1.3565470976175615
Energy: 1.3271025085776615
Energy: 1.3565470976175615
Energy: 1.3256168949705474
Energy: 1.3565470976175615
Energy: 1.2661587095558755
Energy: 1.4994478931774164
Energy: 1.267188701643209
Energy: 1.4994478931762953
Energy: 1.2661587095558755
Energy: 1.4994478931762953
Energy: 1.318419890628937
Energy: 1.4416615313107175
Energy: 1.2650228013355125
Energy: 1.4416615313107175
Energy: 1.318419890628937
Energy: 1.4416615313107175
Energy: 1.2837581006799799
Energy: 1.2841123336797844
Energy: 1.3000888533736399
Energy: 1.2841123336797844
Energy: 1.2837581006799799
Energy: 1.2841123336797844
Energy: 1.3111372205297547
Energy: 1.277623520113754
Energy: 1.2999253252384935
Energy: 1.277623520113754
Energy: 1.3111372205308758
Energy: 1.277623520113754
Energy: 1.4545816633011845
Energy: 1.3127876032038293
Energy: 1.367783300756131
Energy: 1.3127876032049506
Energy: 1.4545816633011845
Energy: 1.3127876032038293
Energy: 1.3058158468635843
Energy: 1.2655227591134712
Energy: 1.3001367332385563
Energy: 1.2655227591134712
Energy: 1.3058158468635843
Energy: 1.2655227591134712
Energy: 1.283862433362298
Energy: 1.2841070072417735
Energy: 1.2998606441540623
Energy: 1.2841070072406524
Energy: 1.283862433362298
Energy: 1.2841070072406524
Energy: 1.3184831846390062
Energy: 1.4886845683753163
Energy: 1.3002409832600428
Energy: 1.4886845683753163
Energy: 1.3184831846390062
Energy: 1.4886845683753163
Energy: 1.2678789888243676
Energy: 1.4994478931762953
Energy: 1.2674517845950488
Energy: 1.4994478931762953
Energy: 1.2678789888243676
Energy: 1.4994478931762953
Energy: 1.3156116349511024
Energy: 1.3179699687956714
Energy: 1.326714691783711
Energy: 1.3179699687956714
Energy: 1.3156116349511024
Energy: 1.3179699687956714

minimum gb energy = 1.2650228013355125 eV
minimum distance =  2.25197076341636 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.443077931727736
Energy: 1.2661445145548451
Energy: 1.4004551921832549
Energy: 1.2661445145548451
Energy: 1.443077931727736
Energy: 1.2661445145548451
Energy: 1.2764824428005268
Energy: 1.261035492291523
Energy: 1.257290737510285
Energy: 1.261035492291523
Energy: 1.2764824428005268
Energy: 1.2610354922905551
Energy: 1.2478154538796684
Energy: 1.272321675155344
Energy: 1.257207362681969
Energy: 1.2723216751543762
Energy: 1.2478154538796684
Energy: 1.272321675155344
Energy: 1.2773857556441515
Energy: 1.3345436382688856
Energy: 1.2831246499425948
Energy: 1.3345436382688856
Energy: 1.2773857556441515
Energy: 1.3345436382688856
Energy: 1.2589115760172136
Energy: 1.3784616390828777
Energy: 1.275031855158616
Energy: 1.3784616390819102
Energy: 1.2589115760172136
Energy: 1.3784616390819102
Energy: 1.2630573290135148
Energy: 1.4079902231389858
Energy: 1.2749459580582165
Energy: 1.4079902231380181
Energy: 1.2630573290135148
Energy: 1.4079902231389858
Energy: 1.2516938932915551
Energy: 1.4411649679962222
Energy: 1.2747175557269603
Energy: 1.4411649679962222
Energy: 1.2516938932915551
Energy: 1.4411649679962222
Energy: 1.2625121850245453
Energy: 1.4083038883190788
Energy: 1.2749186555314476
Energy: 1.4083038883190788
Energy: 1.2625121850245453
Energy: 1.4083038883190788
Energy: 1.2720004988185318
Energy: 1.2603373384080867
Energy: 1.2811889594760357
Energy: 1.2603373384080867
Energy: 1.2720004988185318
Energy: 1.2603373384080867
Energy: 1.2722471993243336
Energy: 1.3462729115726935
Energy: 1.2455900889879012
Energy: 1.3462729115717256
Energy: 1.2722471993243336
Energy: 1.3462729115726935
Energy: 1.262645404761092
Energy: 1.258990889551562
Energy: 1.2845374063621111
Energy: 1.2589908895505943
Energy: 1.262645404761092
Energy: 1.258990889551562
Energy: 1.2665439850937052
Energy: 1.2260865449070657
Energy: 1.2461017807475427
Energy: 1.2260865449070657
Energy: 1.2665439850937052
Energy: 1.2260865449070657
Energy: 1.2663511648755073
Energy: 1.226198163550095
Energy: 1.2456558207413384
Energy: 1.2261981635510626
Energy: 1.2663511648755073
Energy: 1.226198163550095
Energy: 1.2599942207095116
Energy: 1.283119480144216
Energy: 1.331803932409155
Energy: 1.283119480145184
Energy: 1.2599942207095116
Energy: 1.283119480145184
Energy: 1.2794459520413253
Energy: 1.333378957621871
Energy: 1.245847643105806
Energy: 1.3333789576209034
Energy: 1.2794459520413253
Energy: 1.333378957621871
Energy: 1.2806198191410119
Energy: 1.346613502699319
Energy: 1.2279730183955395
Energy: 1.346613502699319
Energy: 1.2806198191410119
Energy: 1.346613502699319
Energy: 1.2478204427507786
Energy: 1.4082946992587058
Energy: 1.2494051975466443
Energy: 1.4082946992587058
Energy: 1.2478204427507786
Energy: 1.4082946992587058
Energy: 1.2717872681300249
Energy: 1.292482276951616
Energy: 1.2261081929761053
Energy: 1.292482276951616
Energy: 1.2717872681300249
Energy: 1.292482276951616
Energy: 1.2477863098639115
Energy: 1.4083772139969066
Energy: 1.249394241165112
Energy: 1.4083772139969066
Energy: 1.2477863098639115
Energy: 1.4083772139969066
Energy: 1.2805670672695395
Energy: 1.3352887235145756
Energy: 1.2407816369532667
Energy: 1.3352887235145756
Energy: 1.2805670672695395
Energy: 1.3352887235145756
Energy: 1.2793881158175526
Energy: 1.3357269868279278
Energy: 1.2458900365927852
Energy: 1.3357269868269601
Energy: 1.2793881158175526
Energy: 1.3357269868269601
Energy: 1.2620882717406077
Energy: 1.2594980816572194
Energy: 1.3315415569480018
Energy: 1.2594980816572194
Energy: 1.2620882717406077
Energy: 1.2594980816572194
Energy: 1.299799062718074
Energy: 1.2577630256376142
Energy: 1.2457684306888144
Energy: 1.2577630256376142
Energy: 1.299799062718074
Energy: 1.2577630256366465
Energy: 1.309632917807898
Energy: 1.2496651379121155
Energy: 1.2465408130262956
Energy: 1.2496651379121155
Energy: 1.309632917807898
Energy: 1.2496651379121155
Energy: 1.2880255035111217
Energy: 1.2591313865751872
Energy: 1.257034084672893
Energy: 1.2591313865742197
Energy: 1.2880255035111217
Energy: 1.2591313865742197
Energy: 1.2794597003364092
Energy: 1.2529672728985706
Energy: 1.2457080518091201
Energy: 1.252967272899538
Energy: 1.2794597003364092
Energy: 1.252967272899538
Energy: 1.272255646541015
Energy: 1.3350080872988839
Energy: 1.293520477873218
Energy: 1.3350080872988839
Energy: 1.272255646541015
Energy: 1.3350080872988839
Energy: 1.262556342857418
Energy: 1.4081907234181807
Energy: 1.274856942681237
Energy: 1.4081907234181807
Energy: 1.262556342857418
Energy: 1.4081907234181807
Energy: 1.2518645574318479
Energy: 1.445616748241108
Energy: 1.2747490363925666
Energy: 1.445616748241108
Energy: 1.2518645574318479
Energy: 1.44561674824014

minimum gb energy = 1.2260865449070657 eV
minimum distance =  2.24000871172017 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3743824598724501
Energy: 1.283328356297633
Energy: 1.2645592373995298
Energy: 1.283328356296782
Energy: 1.3743824598724501
Energy: 1.283328356296782
Energy: 1.218778760222792
Energy: 1.2065772884866055
Energy: 1.2186001766403733
Energy: 1.206577288487456
Energy: 1.218778760222792
Energy: 1.206577288487456
Energy: 1.2062682498924564
Energy: 1.1934515666545222
Energy: 1.2190717445040562
Energy: 1.1934515666545222
Energy: 1.2062682498924564
Energy: 1.1934515666545222
Energy: 1.2291926439437495
Energy: 1.371332811063409
Energy: 1.2269075820634296
Energy: 1.3713328110625587
Energy: 1.2291926439437495
Energy: 1.371332811063409
Energy: 1.1934808826433414
Energy: 1.2910207701998968
Energy: 1.2031765156079304
Energy: 1.2910207701998968
Energy: 1.1934808826433414
Energy: 1.2910207701998968
Energy: 1.208281108193246
Energy: 1.3849863859536826
Energy: 1.194101030711399
Energy: 1.3849863859528322
Energy: 1.208281108193246
Energy: 1.3849863859528322
Energy: 1.2028217213574177
Energy: 1.4288319930147848
Energy: 1.1932688398064124
Energy: 1.4288319930147848
Energy: 1.2028217213574177
Energy: 1.4288319930156355
Energy: 1.205545770793695
Energy: 1.3869568366318445
Energy: 1.206256563632481
Energy: 1.3869568366309941
Energy: 1.205545770793695
Energy: 1.3869568366309941
Energy: 1.1932762472419158
Energy: 1.384531658552146
Energy: 1.206589675076494
Energy: 1.384531658552997
Energy: 1.1932762472419158
Energy: 1.384531658552997
Energy: 1.1926471019382123
Energy: 1.3250147664511325
Energy: 1.1944678303911758
Energy: 1.3250147664511325
Energy: 1.192647101937362
Energy: 1.3250147664511325
Energy: 1.2291694010772523
Energy: 1.3720638190736025
Energy: 1.2759313433065538
Energy: 1.3720638190736025
Energy: 1.2291694010764018
Energy: 1.3720638190736025
Energy: 1.2185982330117482
Energy: 1.193305809283494
Energy: 1.1940075352451573
Energy: 1.193305809283494
Energy: 1.2185982330117482
Energy: 1.1933058092843447
Energy: 1.218996829839713
Energy: 1.193962581157582
Energy: 1.2124684080404637
Energy: 1.1939625811584325
Energy: 1.218996829839713
Energy: 1.193962581157582
Energy: 1.2249845846896468
Energy: 1.237512539547972
Energy: 1.2190421016094286
Energy: 1.237512539547972
Energy: 1.2249845846896468
Energy: 1.237512539547972
Energy: 1.2035231966765076
Energy: 1.2946549338781865
Energy: 1.2183619651755502
Energy: 1.2946549338781865
Energy: 1.2035231966765076
Energy: 1.2946549338781865
Energy: 1.2518686464234525
Energy: 1.1936593130453033
Energy: 1.2078162718832048
Energy: 1.1936593130453033
Energy: 1.2518686464243034
Energy: 1.1936593130461537
Energy: 1.193315929062581
Energy: 1.2215131992231147
Energy: 1.1932074882468748
Energy: 1.2215131992222643
Energy: 1.193315929062581
Energy: 1.2215131992231147
Energy: 1.2075242335836143
Energy: 1.2214145403216772
Energy: 1.1927634020402063
Energy: 1.2214145403216772
Energy: 1.2075242335836143
Energy: 1.2214145403216772
Energy: 1.2068718328893064
Energy: 1.3802189825650526
Energy: 1.2057142377769847
Energy: 1.380218982564202
Energy: 1.2068718328893064
Energy: 1.380218982564202
Energy: 1.1930583056581372
Energy: 1.2589232413184273
Energy: 1.1926003596650512
Energy: 1.2589232413184273
Energy: 1.1930583056589876
Energy: 1.2589232413184273
Energy: 1.2210936226176015
Energy: 1.2243347088862342
Energy: 1.2061064909964716
Energy: 1.2243347088862342
Energy: 1.2210936226176015
Energy: 1.2243347088862342
Energy: 1.1940373183265816
Energy: 1.3805287399908146
Energy: 1.1926779043499087
Energy: 1.380528739991665
Energy: 1.194037318327432
Energy: 1.380528739991665
Energy: 1.2059514021275504
Energy: 1.3793427495462878
Energy: 1.1934308762054713
Energy: 1.3793427495462878
Energy: 1.2059514021275504
Energy: 1.3793427495462878
Energy: 1.2290075609935307
Energy: 1.3010498294192698
Energy: 1.2591575450313308
Energy: 1.3010498294192698
Energy: 1.2290075609935307
Energy: 1.3010498294192698
Energy: 1.19336169370397
Energy: 1.286690309249675
Energy: 1.203632523986213
Energy: 1.286690309249675
Energy: 1.19336169370397
Energy: 1.286690309249675
Energy: 1.212324937584966
Energy: 1.2135244869544533
Energy: 1.251984757747077
Energy: 1.2135244869544533
Energy: 1.212324937584966
Energy: 1.2135244869553037
Energy: 1.218775883202332
Energy: 1.1932270394950075
Energy: 1.1929548678775679
Energy: 1.1932270394950075
Energy: 1.218775883202332
Energy: 1.193227039494157
Energy: 1.218392691002509
Energy: 1.1931593260191602
Energy: 1.194924162375485
Energy: 1.1931593260191602
Energy: 1.218392691002509
Energy: 1.1931593260191602
Energy: 1.264666037595853
Energy: 1.1947792306707936
Energy: 1.299868009727972
Energy: 1.1947792306699432
Energy: 1.264666037595853
Energy: 1.1947792306699432
Energy: 1.1926886139788497
Energy: 1.1981215562567338
Energy: 1.195240829631698
Energy: 1.1981215562558833
Energy: 1.192688613977999
Energy: 1.1981215562558833
Energy: 1.1931263996402355
Energy: 1.2214766076989376
Energy: 1.2057091501094106
Energy: 1.2214766076989376
Energy: 1.1931263996402355
Energy: 1.2214766076980872
Energy: 1.2123643165154783
Energy: 1.3813119125360487
Energy: 1.1942482318153849
Energy: 1.3813119125368998
Energy: 1.2123643165146276
Energy: 1.3813119125360487
Energy: 1.193222942345763
Energy: 1.2568826421440762
Energy: 1.2060520246276702
Energy: 1.2568826421440762
Energy: 1.193222942345763
Energy: 1.2568826421440762

minimum gb energy = 1.1926003596650512 eV
minimum distance =  2.2645401462726 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01495135416761033
Energy: 0.01590871111075131
Energy: 1.4711213700497157
Energy: 0.01590871111075131
Energy: 0.01495135416761033
Energy: 0.01590871111075131
Energy: 0.015218774778659176
Energy: 0.6808579331670549
Energy: 0.015218774779365944
Energy: 0.6808579331670549
Energy: 0.015218774778659176
Energy: 0.6808579331670549
Energy: 1.4711213700497157
Energy: 0.01590871111075131
Energy: 0.01495135416761033
Energy: 0.01590871111075131
Energy: 1.4711213700497157
Energy: 0.01590871111075131
Energy: 0.015218774778659176
Energy: 0.6808579331670549
Energy: 0.015218774778659176
Energy: 0.6808579331670549
Energy: 0.015218774778659176
Energy: 0.6808579331670549

minimum gb energy = 0.01495135416761033 eV
minimum distance =  2.45743958701724 Angstroms
sigma value = 1