Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_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=2.851000025868416
cohesive_energy=4.2903373401975164
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: 0.01333454443084973
Energy: 0.013730967303029874
Energy: 0.7287224934956932
Energy: 0.013730967303029874
Energy: 0.013334544431353937
Energy: 0.013730967303029874
Energy: 0.013730967303029874
Energy: 3.1736738134999283
Energy: 0.013730967303029874
Energy: 2.8267848928501422
Energy: 0.013730967303029874
Energy: 2.8267848928511228
Energy: 0.7287224934956932
Energy: 0.013730967303029874
Energy: 0.013334544431353937
Energy: 0.013730967303029874
Energy: 0.7287224934961973
Energy: 0.013730967303029874
Energy: 0.013730967303029874
Energy: 2.8267848928506183
Energy: 0.013730967303029874
Energy: 2.8267848928506183
Energy: 0.013730967303029874
Energy: 2.8267848928511228
Energy: 0.01333454443084973
Energy: 0.013730967303029874
Energy: 0.7287224934956932
Energy: 0.013730967303029874
Energy: 0.013334544431353937
Energy: 0.013730967303029874
Energy: 0.013730967303029874
Energy: 2.8267848928506183
Energy: 0.013730967303029874
Energy: 2.8267848928506183
Energy: 0.013730967303029874
Energy: 2.8267848928506183

minimum gb energy = 0.01333454443084973 eV
minimum distance =  2.39871277873654 Angstroms
sigma value = 1


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

Energy: 1.2399255053245144
Energy: 1.3290811349071916
Energy: 1.3056133565648624
Energy: 1.3290811349071916
Energy: 1.239925505325728
Energy: 1.3290811349071916
Energy: 1.2412001216595183
Energy: 1.3084894716431472
Energy: 1.2350805070306268
Energy: 1.3084894716431472
Energy: 1.2412001216595183
Energy: 1.3084894716431472
Energy: 1.242940433036208
Energy: 1.3084982095423812
Energy: 1.2337900536119584
Energy: 1.3084982095423812
Energy: 1.242940433036208
Energy: 1.3084982095423812
Energy: 1.2740464999922427
Energy: 1.2625828374291912
Energy: 1.2269556159339499
Energy: 1.2625828374291912
Energy: 1.2740464999922427
Energy: 1.2625828374291912
Energy: 1.2740378531205834
Energy: 1.3293990951179664
Energy: 1.262315659701198
Energy: 1.3293990951167527
Energy: 1.274037853121797
Energy: 1.3293990951179664
Energy: 1.2339634043444776
Energy: 1.3077206298393032
Energy: 1.2442851013190612
Energy: 1.3077206298393032
Energy: 1.2339634043444776
Energy: 1.3077206298393032
Energy: 1.2338984550739862
Energy: 1.3079350964963603
Energy: 1.245392213938681
Energy: 1.3079350964963603
Energy: 1.2338984550752
Energy: 1.3079350964963603
Energy: 1.3031295500476872
Energy: 1.329669712288612
Energy: 1.219707095119625
Energy: 1.329669712288612
Energy: 1.3031295500476872
Energy: 1.329669712288612
Energy: 1.2748926048851967
Energy: 1.2649919198284623
Energy: 1.2274569412528242
Energy: 1.2649919198284623
Energy: 1.2748926048851967
Energy: 1.2649919198284623
Energy: 1.2362020781283123
Energy: 1.3085735514950614
Energy: 1.244466835074987
Energy: 1.308573551493848
Energy: 1.2362020781283123
Energy: 1.308573551493848
Energy: 1.2457427942215002
Energy: 1.283749806253701
Energy: 1.2350341380391943
Energy: 1.283749806253701
Energy: 1.2457427942215002
Energy: 1.283749806253701
Energy: 1.2235370150628244
Energy: 1.3291550907910736
Energy: 1.2234979815934754
Energy: 1.3291550907910736
Energy: 1.2235370150628244
Energy: 1.3291550907910736
Energy: 1.234976770551899
Energy: 1.2837498062549149
Energy: 1.2631090677774526
Energy: 1.2837498062561283
Energy: 1.234976770550685
Energy: 1.2837498062561283
Energy: 1.2444873162284182
Energy: 1.3085829503007766
Energy: 1.2364965403578467
Energy: 1.3085829503007766
Energy: 1.2444873162284182
Energy: 1.3085829503007766
Energy: 1.2274620529705724
Energy: 1.2649160158010115
Energy: 1.2753406091313484
Energy: 1.2649160158022255
Energy: 1.2274620529705724
Energy: 1.2649160158010115
Energy: 1.2192399159198217
Energy: 1.3296403378579793
Energy: 1.3031571107712707
Energy: 1.3296403378579793
Energy: 1.2192399159198217
Energy: 1.3296403378579793
Energy: 1.245408690480332
Energy: 1.3081347441851052
Energy: 1.233857976837489
Energy: 1.3081347441851052
Energy: 1.245408690481546
Energy: 1.3081347441851052
Energy: 1.2442713109366037
Energy: 1.3077768772751373
Energy: 1.234102943316931
Energy: 1.3077768772751373
Energy: 1.2442713109366037
Energy: 1.3077768772751373
Energy: 1.2738829478836535
Energy: 1.3294022951728524
Energy: 1.2740156604936217
Energy: 1.3294022951728524
Energy: 1.2738829478848672
Energy: 1.3294022951728524
Energy: 1.2267944071613857
Energy: 1.2625873612575356
Energy: 1.2739033611200428
Energy: 1.2625873612575356
Energy: 1.2267944071613857
Energy: 1.2625873612575356
Energy: 1.2336979923430589
Energy: 1.3084851690716963
Energy: 1.2429371119949695
Energy: 1.3084851690716963
Energy: 1.233697992344273
Energy: 1.3084851690716963
Energy: 1.2351628410306907
Energy: 1.3085002889828745
Energy: 1.2412126747806689
Energy: 1.3085002889828745
Energy: 1.235162841029477
Energy: 1.3085002889828745
Energy: 1.292511135832893
Energy: 1.3290811349071916
Energy: 1.239925505325728
Energy: 1.3290811349071916
Energy: 1.292511135832893
Energy: 1.3290811349071916

minimum gb energy = 1.2192399159198217 eV
minimum distance =  2.26988289693649 Angstroms
sigma value = 33


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

Energy: 1.7152578259535964
Energy: 1.378573778705993
Energy: 1.3075673046542189
Energy: 1.3785737787053027
Energy: 1.7152578259535964
Energy: 1.378573778705993
Energy: 1.2750100199497132
Energy: 1.35416754588371
Energy: 1.3888864053775754
Energy: 1.35416754588371
Energy: 1.2750100199497132
Energy: 1.35416754588371
Energy: 1.274534084560448
Energy: 1.3762504888792744
Energy: 1.3521984285415178
Energy: 1.3762504888792744
Energy: 1.274534084560448
Energy: 1.3762504888792744
Energy: 1.2732053345472951
Energy: 1.3232328379115854
Energy: 1.374374445205334
Energy: 1.3232328379108949
Energy: 1.2732053345472951
Energy: 1.3232328379115854
Energy: 1.2732142748497104
Energy: 1.3552274212485524
Energy: 1.3731653831639992
Energy: 1.3552274212485524
Energy: 1.2732142748497104
Energy: 1.3552274212485524
Energy: 1.2647434760761265
Energy: 1.355262102649091
Energy: 1.2992847151069775
Energy: 1.355262102649091
Energy: 1.2647434760754361
Energy: 1.355262102649091
Energy: 1.2645445022631439
Energy: 1.3550740237946923
Energy: 1.3466186854116342
Energy: 1.3550740237953827
Energy: 1.2645445022631439
Energy: 1.3550740237953827
Energy: 1.2998952780184787
Energy: 1.356274519895394
Energy: 1.307335682623959
Energy: 1.3562745198960848
Energy: 1.299895278017788
Energy: 1.356274519895394
Energy: 1.2730605897715928
Energy: 1.3229459891254065
Energy: 1.2628225460728886
Energy: 1.3229459891254065
Energy: 1.2730605897709026
Energy: 1.3229459891254065
Energy: 1.263087497515027
Energy: 1.3762458871958136
Energy: 1.274173739090665
Energy: 1.3762458871958136
Energy: 1.263087497515027
Energy: 1.3762458871958136
Energy: 1.276498580756729
Energy: 1.3581776932346397
Energy: 1.2742503744536409
Energy: 1.3581776932346397
Energy: 1.2764985807560385
Energy: 1.3581776932346397
Energy: 1.3523129914534178
Energy: 1.3567132908542294
Energy: 1.3016314996650045
Energy: 1.3567132908535389
Energy: 1.3523129914534178
Energy: 1.3567132908542294
Energy: 1.3734808859789436
Energy: 1.329325825674384
Energy: 1.2752879671182653
Energy: 1.329325825674384
Energy: 1.3734808859789436
Energy: 1.329325825674384
Energy: 1.347115717528325
Energy: 1.3758487956361574
Energy: 1.268986230306055
Energy: 1.3758487956361574
Energy: 1.347115717528325
Energy: 1.3758487956361574
Energy: 1.3526913563350198
Energy: 1.3549419593078722
Energy: 1.3896942211007361
Energy: 1.3549419593078722
Energy: 1.3526913563357101
Energy: 1.3549419593078722
Energy: 1.352722230189754
Energy: 1.3550850051547618
Energy: 1.2950851751014838
Energy: 1.3550850051547618
Energy: 1.3527222301890633
Energy: 1.3550850051547618
Energy: 1.373667907319962
Energy: 1.354795518467024
Energy: 1.2740283145825066
Energy: 1.354795518467024
Energy: 1.373667907319962
Energy: 1.3547955184677143
Energy: 1.3738984708214421
Energy: 1.3497139799989906
Energy: 1.3831182617469153
Energy: 1.3497139799989906
Energy: 1.3738984708214421
Energy: 1.3497139799989906
Energy: 1.2973983791629862
Energy: 1.3563446844245692
Energy: 1.284951968569693
Energy: 1.3563446844238787
Energy: 1.2973983791629862
Energy: 1.3563446844238787
Energy: 1.3470960925378532
Energy: 1.3233099663005172
Energy: 1.3792611024131698
Energy: 1.3233099663005172
Energy: 1.3470960925378532
Energy: 1.3233099663005172
Energy: 1.3484741993734506
Energy: 1.3763753722112606
Energy: 1.3083099937928244
Energy: 1.3763753722105705
Energy: 1.348474199374141
Energy: 1.3763753722105705
Energy: 1.3075414438665751
Energy: 1.3612544475594623
Energy: 1.4378341980815068
Energy: 1.361254447560153
Energy: 1.3075414438665751
Energy: 1.361254447560153
Energy: 1.272915168038768
Energy: 1.3564909159457426
Energy: 1.3731416755703665
Energy: 1.3564909159457426
Energy: 1.2729151680394588
Energy: 1.3564909159457426
Energy: 1.3734575716486097
Energy: 1.3500448658629374
Energy: 1.2730827009136543
Energy: 1.3500448658629374
Energy: 1.3734575716486097
Energy: 1.3500448658629374
Energy: 1.3008480971114709
Energy: 1.3547410457966234
Energy: 1.3521537642506407
Energy: 1.3547410457966234
Energy: 1.3008480971114709
Energy: 1.3547410457966234
Energy: 1.2702380998947624
Energy: 1.3743501634258113
Energy: 1.3280915398256692
Energy: 1.3743501634265018
Energy: 1.2702380998947624
Energy: 1.3743501634265018
Energy: 1.2702240270600038
Energy: 1.3743341052027476
Energy: 1.342743335194331
Energy: 1.374334105203438
Energy: 1.2702240270606941
Energy: 1.3743341052027476
Energy: 1.300990513738645
Energy: 1.3547028496449836
Energy: 1.3521643648502049
Energy: 1.3547028496449836
Energy: 1.300990513738645
Energy: 1.3547028496449836
Energy: 1.3735278818126375
Energy: 1.3500410248483214
Energy: 1.2732270457258437
Energy: 1.3500410248483214
Energy: 1.3735278818133276
Energy: 1.3500410248483214
Energy: 1.2729087322298105
Energy: 1.3564871081632444
Energy: 1.314577579972922
Energy: 1.3564871081632444
Energy: 1.2729087322298105
Energy: 1.3564871081632444
Energy: 1.307367702329467
Energy: 1.3612544475587722
Energy: 1.4377402489306852
Energy: 1.3612544475587722
Energy: 1.3073677023287766
Energy: 1.3612544475587722
Energy: 1.3484847866429082
Energy: 1.3763903237951958
Energy: 1.3082991660678933
Energy: 1.3763903237945054
Energy: 1.3484847866429082
Energy: 1.3763903237951958
Energy: 1.3472036789892676
Energy: 1.3233113686131721
Energy: 1.3793224904178945
Energy: 1.3233113686131721
Energy: 1.3472036789892676
Energy: 1.3233113686131721
Energy: 1.2974043183564576
Energy: 1.3563462604179333
Energy: 1.263016791353097
Energy: 1.3563462604179333
Energy: 1.2974043183557673
Energy: 1.3563462604172432
Energy: 1.3738603213541856
Energy: 1.3496891558587152
Energy: 1.4628576480510482
Energy: 1.3496891558587152
Energy: 1.3738603213541856
Energy: 1.3496891558587152
Energy: 1.3735959510183384
Energy: 1.354970553389048
Energy: 1.2740529925565849
Energy: 1.354970553389048
Energy: 1.3735959510190288
Energy: 1.354970553389048
Energy: 1.3524014693656157
Energy: 1.3550535883065131
Energy: 1.2878007574921106
Energy: 1.3550535883065131
Energy: 1.3524014693649253
Energy: 1.3550535883065131
Energy: 1.3525496191725432
Energy: 1.354733377503922
Energy: 1.389481747861904
Energy: 1.354733377503922
Energy: 1.3525496191725432
Energy: 1.354733377503922
Energy: 1.3488921425496094
Energy: 1.3758451428253948
Energy: 1.2691417073195108
Energy: 1.3758451428253948
Energy: 1.3488921425502995
Energy: 1.3758451428253948
Energy: 1.3732328524757995
Energy: 1.329222610027326
Energy: 1.2754415141484885
Energy: 1.3292226100266353
Energy: 1.373232852475109
Energy: 1.329222610027326
Energy: 1.3523079615756706
Energy: 1.3567114728238172
Energy: 1.2846906128566524
Energy: 1.3567114728231269
Energy: 1.3523079615756706
Energy: 1.3567114728238172

minimum gb energy = 1.2628225460728886 eV
minimum distance =  2.23586102181471 Angstroms
sigma value = 51


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

Energy: 1.4472524687097343
Energy: 1.3697523251990342
Energy: 1.4414222975712307
Energy: 1.3697523251990342
Energy: 1.4472524687097343
Energy: 1.3697523251990342
Energy: 1.4086827965765316
Energy: 1.4762405270732786
Energy: 1.6754150966780372
Energy: 1.4762405270732786
Energy: 1.4086827965765316
Energy: 1.4762405270732786
Energy: 1.2873329652917227
Energy: 1.3699157740370755
Energy: 1.5414503922291887
Energy: 1.3699157740370755
Energy: 1.2873329652917227
Energy: 1.3699157740370755
Energy: 1.3035743294831243
Energy: 1.323378492472812
Energy: 1.5417393155356867
Energy: 1.323378492472812
Energy: 1.3035743294831243
Energy: 1.323378492472812
Energy: 1.2885621369346136
Energy: 1.3248208920212976
Energy: 1.4519642166505746
Energy: 1.3248208920212976
Energy: 1.2885621369346136
Energy: 1.3248208920212976
Energy: 1.4470116606088637
Energy: 1.3230064161196664
Energy: 1.6026676641446522
Energy: 1.3230064161196664
Energy: 1.447011660607264
Energy: 1.3230064161196664
Energy: 1.4475024366895513
Energy: 1.323904353832566
Energy: 1.5213043238171007
Energy: 1.323904353832566
Energy: 1.4475024366895513
Energy: 1.323904353832566
Energy: 1.3114335557726928
Energy: 1.3232497379552053
Energy: 1.2573845972092892
Energy: 1.3232497379552053
Energy: 1.3114335557726928
Energy: 1.3232497379552053
Energy: 1.6102499582237693
Energy: 1.3723002125003252
Energy: 1.297618674919724
Energy: 1.3723002125003252
Energy: 1.6102499582237693
Energy: 1.3723002125003252
Energy: 1.287577458666473
Energy: 1.3701780231103105
Energy: 1.2574490177397148
Energy: 1.3701780231103105
Energy: 1.287577458666473
Energy: 1.370178023108711
Energy: 1.541513566674601
Energy: 1.3237466553740158
Energy: 1.674976192074902
Energy: 1.3237466553756152
Energy: 1.541513566674601
Energy: 1.3237466553740158
Energy: 1.44677349259769
Energy: 1.3699434949686065
Energy: 1.6024460408055612
Energy: 1.3699434949686065
Energy: 1.44677349259769
Energy: 1.3699434949686065
Energy: 1.3820703188023924
Energy: 1.3234454021067061
Energy: 1.5417960777321638
Energy: 1.3234454021083057
Energy: 1.382070318803992
Energy: 1.3234454021067061
Energy: 1.2874796639939114
Energy: 1.370395767491733
Energy: 1.541821947054247
Energy: 1.370395767491733
Energy: 1.2874796639939114
Energy: 1.370395767491733
Energy: 1.2873862498189304
Energy: 1.370708824918157
Energy: 1.5416292810173087
Energy: 1.370708824918157
Energy: 1.2873862498189304
Energy: 1.370708824918157
Energy: 1.2879610941045363
Energy: 1.3369876340523255
Energy: 1.5415983129048507
Energy: 1.3369876340523255
Energy: 1.2879610941045363
Energy: 1.3369876340523255
Energy: 1.446691371525933
Energy: 1.371065599964697
Energy: 1.6019223348758045
Energy: 1.3710655999630976
Energy: 1.4466913715275325
Energy: 1.371065599964697
Energy: 1.4468828859927145
Energy: 1.3266431101892802
Energy: 1.676244203465332
Energy: 1.3266431101892802
Energy: 1.4468828859863168
Energy: 1.3266431101892802

minimum gb energy = 1.2573845972092892 eV
minimum distance =  2.21179266976635 Angstroms
sigma value = 19


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

Energy: 1.5988325987198477
Energy: 1.4356754906456477
Energy: 1.4263469799291137
Energy: 1.4356754906456477
Energy: 1.5988325987198477
Energy: 1.4356754906456477
Energy: 1.3026495078184197
Energy: 1.4028545678771058
Energy: 1.4025577840436751
Energy: 1.4028545678771058
Energy: 1.3026495078184197
Energy: 1.4028545678771058
Energy: 1.2851973582222105
Energy: 1.4147495922234001
Energy: 1.395540946111645
Energy: 1.414749592224349
Energy: 1.2851973582222105
Energy: 1.4147495922234001
Energy: 1.3473188186021505
Energy: 1.3783570202193591
Energy: 1.395350454710532
Energy: 1.3783570202193591
Energy: 1.3473188186021505
Energy: 1.3783570202193591
Energy: 1.3301478912472189
Energy: 1.4318517710477652
Energy: 1.638462999957121
Energy: 1.4318517710468162
Energy: 1.3301478912472189
Energy: 1.4318517710477652
Energy: 1.6385168546816793
Energy: 1.4319146486083991
Energy: 1.3301404994499868
Energy: 1.4319146486083991
Energy: 1.6385168546816793
Energy: 1.4319146486083991
Energy: 1.3955262938399258
Energy: 1.3783643516361892
Energy: 1.329972183271816
Energy: 1.3783643516361892
Energy: 1.3955262938399258
Energy: 1.3783643516361892
Energy: 1.395616193622954
Energy: 1.4147469418442333
Energy: 1.285066790212233
Energy: 1.4147469418442333
Energy: 1.395616193622954
Energy: 1.4147469418442333
Energy: 1.4024061964812524
Energy: 1.4028028166747624
Energy: 1.332810643834528
Energy: 1.4028028166747624
Energy: 1.4024061964812524
Energy: 1.4028028166747624
Energy: 1.4186273678451307
Energy: 1.4356754906456477
Energy: 1.5988325987198477
Energy: 1.4356754906456477
Energy: 1.4186273678451307
Energy: 1.4356754906456477
Energy: 1.4025577840436751
Energy: 1.4028545678771058
Energy: 1.3026495078184197
Energy: 1.4028545678771058
Energy: 1.4025577840436751
Energy: 1.4028545678771058
Energy: 1.395540946111645
Energy: 1.414749592224349
Energy: 1.2851973582222105
Energy: 1.4147495922234001
Energy: 1.395540946111645
Energy: 1.414749592224349
Energy: 1.395350454710532
Energy: 1.3783570202193591
Energy: 1.3299866273075056
Energy: 1.3783570202193591
Energy: 1.3953504547095832
Energy: 1.3783570202193591
Energy: 1.638462999957121
Energy: 1.4318517710468162
Energy: 1.3301478912472189
Energy: 1.4318517710477652
Energy: 1.638462999957121
Energy: 1.4318517710468162
Energy: 1.3301404994499868
Energy: 1.4319146486083991
Energy: 1.5699734377865229
Energy: 1.4319146486083991
Energy: 1.3301404994499868
Energy: 1.4319146486083991
Energy: 1.3470051811093293
Energy: 1.3783643516361892
Energy: 1.3955262938399258
Energy: 1.3783643516361892
Energy: 1.3470051811093293
Energy: 1.3783643516361892
Energy: 1.285066790212233
Energy: 1.4147469418442333
Energy: 1.395616193622954
Energy: 1.4147469418442333
Energy: 1.285066790212233
Energy: 1.4147469418442333
Energy: 1.332810643834528
Energy: 1.4028028166747624
Energy: 1.4024061964812524
Energy: 1.4028028166747624
Energy: 1.332810643834528
Energy: 1.4028028166747624
Energy: 1.5988325987198477
Energy: 1.4356754906456477
Energy: 1.4186273678451307
Energy: 1.4356754906456477
Energy: 1.5988325987198477
Energy: 1.4356754906456477
Energy: 1.3026495078184197
Energy: 1.4028545678771058
Energy: 1.4025577840436751
Energy: 1.4028545678771058
Energy: 1.3026495078184197
Energy: 1.4028545678771058
Energy: 1.2851973582222105
Energy: 1.4147495922234001
Energy: 1.395540946111645
Energy: 1.414749592224349
Energy: 1.2851973582222105
Energy: 1.4147495922234001
Energy: 1.3299866273075056
Energy: 1.3783570202193591
Energy: 1.395350454710532
Energy: 1.3783570202193591
Energy: 1.3299866273075056
Energy: 1.3783570202193591
Energy: 1.3301478912472189
Energy: 1.4318517710477652
Energy: 1.638462999957121
Energy: 1.4318517710468162
Energy: 1.3301478912472189
Energy: 1.4318517710477652
Energy: 1.4936085782477082
Energy: 1.4319146486083991
Energy: 1.3301404994490378
Energy: 1.4319146486083991
Energy: 1.4936085782477082
Energy: 1.4319146486083991
Energy: 1.395526293838977
Energy: 1.3783643516361892
Energy: 1.3629142440498896
Energy: 1.3783643516361892
Energy: 1.3955262938399258
Energy: 1.3783643516361892
Energy: 1.395616193622954
Energy: 1.4147469418442333
Energy: 1.285066790212233
Energy: 1.4147469418442333
Energy: 1.395616193622954
Energy: 1.4147469418442333
Energy: 1.4024061964812524
Energy: 1.4028028166747624
Energy: 1.332810643834528
Energy: 1.4028028166747624
Energy: 1.4024061964812524
Energy: 1.4028028166747624
Energy: 1.4186273678451307
Energy: 1.4356754906456477
Energy: 1.5988325987198477
Energy: 1.4356754906456477
Energy: 1.4186273678451307
Energy: 1.4356754906456477
Energy: 1.4025577840436751
Energy: 1.4028545678771058
Energy: 1.3026495078184197
Energy: 1.4028545678771058
Energy: 1.4025577840436751
Energy: 1.4028545678771058
Energy: 1.395540946111645
Energy: 1.414749592224349
Energy: 1.2851973582222105
Energy: 1.414749592224349
Energy: 1.395540946111645
Energy: 1.414749592224349

minimum gb energy = 1.285066790212233 eV
minimum distance =  2.2204940809158 Angstroms
sigma value = 27


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

Energy: 1.1568144302663692
Energy: 1.3102554810501696
Energy: 1.4845002215381895
Energy: 1.3102554810501696
Energy: 1.1568144302663692
Energy: 1.3102554810501696
Energy: 1.1525954625557477
Energy: 1.2821950792629453
Energy: 1.2273232384593626
Energy: 1.2821950792631829
Energy: 1.1525954625559853
Energy: 1.2821950792627075
Energy: 1.196108182477188
Energy: 1.5323260871604825
Energy: 1.1969691225764438
Energy: 1.5323260871602449
Energy: 1.1961081824769504
Energy: 1.5323260871604825
Energy: 1.1536449379821612
Energy: 1.31459752712496
Energy: 1.196936631886362
Energy: 1.31459752712496
Energy: 1.1536449379826104
Energy: 1.31459752712496
Energy: 1.227615154683961
Energy: 1.3107950747994865
Energy: 1.2259886621200893
Energy: 1.310795074799249
Energy: 1.2276151546837233
Energy: 1.3107950747994865
Energy: 1.1959647571075893
Energy: 1.3725094815450687
Energy: 1.2256152777883518
Energy: 1.3725094815450687
Energy: 1.195964757107114
Energy: 1.3725094815448313
Energy: 1.1964895958971622
Energy: 1.28908994991378
Energy: 1.1962314722324885
Energy: 1.28908994991378
Energy: 1.1964895958971622
Energy: 1.28908994991378
Energy: 1.1543893489388692
Energy: 1.313955128373116
Energy: 1.2273180195446882
Energy: 1.3139551283728783
Energy: 1.1543893489388692
Energy: 1.3139551283728783
Energy: 1.1962565646075267
Energy: 1.3113710681468855
Energy: 1.1962206750424567
Energy: 1.3113710681466477
Energy: 1.1962565646077647
Energy: 1.3113710681468855
Energy: 1.1962039586789504
Energy: 1.5372492224924938
Energy: 1.1961972385027655
Energy: 1.5372492224922563
Energy: 1.1962039586789504
Energy: 1.5372492224924938
Energy: 1.1524983445409314
Energy: 1.3113709260482804
Energy: 1.1962908779720423
Energy: 1.3113709260480428
Energy: 1.152498344540694
Energy: 1.3113709260480428
Energy: 1.2272942950138455
Energy: 1.3139837479769834
Energy: 1.1544047596959268
Energy: 1.3139837479767456
Energy: 1.2272942950138455
Energy: 1.3139837479769834

minimum gb energy = 1.152498344540694 eV
minimum distance =  2.25093326246511 Angstroms
sigma value = 9


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

Energy: 1.6316993859514635
Energy: 1.5101578688851773
Energy: 1.2937976906048954
Energy: 1.5101578688851773
Energy: 1.6316993859521165
Energy: 1.5101578688845243
Energy: 1.3423718919730936
Energy: 1.4662316278835874
Energy: 1.3123265498758845
Energy: 1.4478092923534431
Energy: 1.3423718919730936
Energy: 1.4836418134412392
Energy: 1.2988497483604982
Energy: 1.5211320767093273
Energy: 1.3162732000173933
Energy: 1.5211320767093273
Energy: 1.2988497483604982
Energy: 1.5211320767093273
Energy: 1.295708762871673
Energy: 1.4783127459227858
Energy: 1.2605029971656547
Energy: 1.4783127459234386
Energy: 1.295708762871673
Energy: 1.4783127459227858
Energy: 1.2654483555676375
Energy: 1.506392326486867
Energy: 1.2611703006268538
Energy: 1.506392326486867
Energy: 1.2654483555676375
Energy: 1.506392326486867
Energy: 1.2373412770425516
Energy: 1.4663759829507532
Energy: 1.29631646940603
Energy: 1.4385239783960606
Energy: 1.2373412770425516
Energy: 1.4663759829514063
Energy: 1.3574196947550052
Energy: 1.4883586237933562
Energy: 1.2862100161459873
Energy: 1.4883586237933562
Energy: 1.3574196947543522
Energy: 1.4883586237933562
Energy: 1.44867634309254
Energy: 1.4773197737022064
Energy: 1.3564033742940413
Energy: 1.4773197737022064
Energy: 1.44867634309254
Energy: 1.4773197737022064
Energy: 1.3443356335263394
Energy: 1.5179404208686589
Energy: 1.3239464788002449
Energy: 1.517940420868006
Energy: 1.3443356335263394
Energy: 1.5179404208686589
Energy: 1.441929471208959
Energy: 1.5195325715821797
Energy: 1.2657967892220146
Energy: 1.5195325715821797
Energy: 1.441929471208959
Energy: 1.5195325715821797
Energy: 1.4052886606559905
Energy: 1.4810107854582464
Energy: 1.3112538240433447
Energy: 1.4810107854582464
Energy: 1.4052886606559905
Energy: 1.4810107854582464
Energy: 1.318244001732732
Energy: 1.48818224921934
Energy: 1.2984988337894605
Energy: 1.48818224921934
Energy: 1.318244001732732
Energy: 1.48818224921934
Energy: 1.2654314796369903
Energy: 1.4142208803496612
Energy: 1.2661647588772416
Energy: 1.4142208803503142
Energy: 1.2654314796369903
Energy: 1.4142208803503142
Energy: 1.3659094755077663
Energy: 1.519542619339794
Energy: 1.225671303285181
Energy: 1.519542619339794
Energy: 1.3659094755077663
Energy: 1.519542619339794
Energy: 1.3165147892024323
Energy: 1.531906137618992
Energy: 1.3035736066125796
Energy: 1.531906137618992
Energy: 1.3165147892017792
Energy: 1.531906137618992
Energy: 1.3200324513084103
Energy: 1.4727196382501175
Energy: 1.2986727404318432
Energy: 1.4727196382494645
Energy: 1.3200324513084103
Energy: 1.4727196382501175
Energy: 1.4384500530235202
Energy: 1.524263980314422
Energy: 1.266376307611321
Energy: 1.524263980314422
Energy: 1.4384500530235202
Energy: 1.524263980314422
Energy: 1.2550872489673692
Energy: 1.4077754725430853
Energy: 1.315286297338212
Energy: 1.4077754725430853
Energy: 1.2550872489680223
Energy: 1.4077754725430853
Energy: 1.4534712401614316
Energy: 1.5189266301074387
Energy: 1.2352605936245098
Energy: 1.5189266301074387
Energy: 1.4534712401614316
Energy: 1.5189266301074387
Energy: 1.2699152997025789
Energy: 1.5375008966098584
Energy: 1.269903174403664
Energy: 1.5375008966105117
Energy: 1.2699152997032317
Energy: 1.5375008966105117
Energy: 1.2352543693637117
Energy: 1.5191389134567512
Energy: 1.4534398279921206
Energy: 1.5191389134560982
Energy: 1.2352543693643645
Energy: 1.5191389134567512
Energy: 1.3152437002725292
Energy: 1.4077386907593694
Energy: 1.2552260569556586
Energy: 1.4077386907593694
Energy: 1.3152437002725292
Energy: 1.4077386907593694
Energy: 1.2662033384800035
Energy: 1.5242434970595296
Energy: 1.4384577109480248
Energy: 1.5242434970595296
Energy: 1.2662033384800035
Energy: 1.5242434970601824
Energy: 1.2986775891904885
Energy: 1.472673788617869
Energy: 1.3200006588337663
Energy: 1.472673788617869
Energy: 1.2986775891904885
Energy: 1.472673788617869
Energy: 1.3035579814755551
Energy: 1.5321598522667592
Energy: 1.3165467697022282
Energy: 1.5321598522667592
Energy: 1.3035579814755551
Energy: 1.5321598522667592
Energy: 1.2256928546457393
Energy: 1.519566184802297
Energy: 1.402111205214391
Energy: 1.51956618480295
Energy: 1.225692854646392
Energy: 1.519566184802297
Energy: 1.266217685902437
Energy: 1.4143135102097892
Energy: 1.265450397576816
Energy: 1.4143135102097892
Energy: 1.2662176859030903
Energy: 1.4143135102097892
Energy: 1.298548210006526
Energy: 1.4881920939812734
Energy: 1.318244446085748
Energy: 1.4881920939812734
Energy: 1.298548210006526
Energy: 1.4881920939812734
Energy: 1.3111590386262348
Energy: 1.481017173481081
Energy: 1.3136064909630976
Energy: 1.481017173481081
Energy: 1.3111590386262348
Energy: 1.481017173481081
Energy: 1.2657738620545014
Energy: 1.5195279041362162
Energy: 1.441866530038722
Energy: 1.519527904136869
Energy: 1.2657738620545014
Energy: 1.5195279041362162
Energy: 1.3233105255418396
Energy: 1.5179404208673528
Energy: 1.3443511219783335
Energy: 1.517940420868006
Energy: 1.3233105255418396
Energy: 1.5179404208673528
Energy: 1.3564227446648034
Energy: 1.4772182340737217
Energy: 1.4485340408924958
Energy: 1.4772182340743745
Energy: 1.3564227446648034
Energy: 1.4772182340737217
Energy: 1.2860767653442515
Energy: 1.4883125112813516
Energy: 1.5215182479464255
Energy: 1.4883125112813516
Energy: 1.2860767653442515
Energy: 1.4883125112806983
Energy: 1.2963972390936116
Energy: 1.4132117712520702
Energy: 1.2373607750387892
Energy: 1.4132117712520702
Energy: 1.2963972390942646
Energy: 1.4132117712520702
Energy: 1.293999558421979
Energy: 1.5063656429458152
Energy: 1.2654581782523386
Energy: 1.5063656429458152
Energy: 1.293999558421979
Energy: 1.506365642945162
Energy: 1.2604357727240412
Energy: 1.4782706342544107
Energy: 1.2957217082560764
Energy: 1.4782706342544107
Energy: 1.2604357727240412
Energy: 1.4782706342544107
Energy: 1.3162210081511416
Energy: 1.5210709880512276
Energy: 1.2988547945133129
Energy: 1.5210709880512276
Energy: 1.3162210081511416
Energy: 1.5210709880512276
Energy: 1.3124436966501225
Energy: 1.447809292350831
Energy: 1.3425836364284192
Energy: 1.447809292350831
Energy: 1.3124436966501225
Energy: 1.447809292350831
Energy: 1.334839398359366
Energy: 1.5101578688845243
Energy: 1.6316993859514635
Energy: 1.5101578688845243
Energy: 1.334839398360019
Energy: 1.5101578688845243
Energy: 1.3123265498765373
Energy: 1.4836418134412392
Energy: 1.3423718919730936
Energy: 1.4836418134412392
Energy: 1.3123265498758845
Energy: 1.4836418134412392
Energy: 1.3162732000173933
Energy: 1.5211320767093273
Energy: 1.2988497483604982
Energy: 1.5211320767093273
Energy: 1.31627320001674
Energy: 1.5211320767093273
Energy: 1.2605029971663075
Energy: 1.4783127459227858
Energy: 1.2957087628723263
Energy: 1.4783127459227858
Energy: 1.2605029971656547
Energy: 1.4783127459227858
Energy: 1.2611703006275068
Energy: 1.506392326486867
Energy: 1.2654483555676375
Energy: 1.506392326486214
Energy: 1.2611703006275068
Energy: 1.506392326486867

minimum gb energy = 1.225671303285181 eV
minimum distance =  2.20977933401979 Angstroms
sigma value = 57


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

Energy: 1.3575544995315443
Energy: 1.477360249610727
Energy: 1.341249190810864
Energy: 1.477360249610727
Energy: 1.3575544995315443
Energy: 1.477360249610727
Energy: 1.0997519840901013
Energy: 1.4180161771887676
Energy: 1.13419263792156
Energy: 1.4180161771887676
Energy: 1.0997519840901013
Energy: 1.4180161771887676
Energy: 1.0919050327573414
Energy: 1.4153556782622252
Energy: 1.1349388466082913
Energy: 1.4153556782607384
Energy: 1.0919050327573414
Energy: 1.4153556782622252
Energy: 1.1333733751591037
Energy: 1.4248111042567306
Energy: 1.200719125151163
Energy: 1.4248111042567306
Energy: 1.1333733751591037
Energy: 1.4248111042567306
Energy: 1.133474905154596
Energy: 1.4780546875441851
Energy: 1.1341013970402696
Energy: 1.4780546875441851
Energy: 1.133474905154596
Energy: 1.4780546875441851
Energy: 1.133658937176312
Energy: 1.4157009350480025
Energy: 1.0900493798373188
Energy: 1.4157009350480025
Energy: 1.133658937176312
Energy: 1.4157009350480025
Energy: 1.1336228685911096
Energy: 1.415739475690379
Energy: 1.0905120654204916
Energy: 1.4157394756888928
Energy: 1.1336228685911096
Energy: 1.415739475690379
Energy: 1.1334729725262198
Energy: 1.477984607071005
Energy: 1.200554092381209
Energy: 1.477984607071005
Energy: 1.1334729725262198
Energy: 1.477984607071005
Energy: 1.1332877981362928
Energy: 1.4236252768168107
Energy: 1.1336823486852823
Energy: 1.4236252768168107
Energy: 1.1332877981362928
Energy: 1.4236252768168107
Energy: 1.0920088244236443
Energy: 1.4153532972296117
Energy: 1.1345499183332701
Energy: 1.4153532972296117
Energy: 1.0920088244236443
Energy: 1.4153532972296117
Energy: 1.0998662786520446
Energy: 1.4180161771902542
Energy: 1.2259014536877009
Energy: 1.4180161771902542
Energy: 1.0998662786520446
Energy: 1.4180161771902542
Energy: 1.3575544995315443
Energy: 1.4773602496092404
Energy: 1.1947579701599105
Energy: 1.477360249610727
Energy: 1.3575544995315443
Energy: 1.477360249610727
Energy: 1.0997519840901013
Energy: 1.4180161771887676
Energy: 1.13419263792156
Energy: 1.4180161771887676
Energy: 1.0997519840901013
Energy: 1.4180161771887676
Energy: 1.0919050327573414
Energy: 1.4153556782607384
Energy: 1.1349388466082913
Energy: 1.4153556782607384
Energy: 1.0919050327573414
Energy: 1.4153556782622252
Energy: 1.1333733751591037
Energy: 1.4248111042567306
Energy: 1.140426655265917
Energy: 1.4248111042567306
Energy: 1.1333733751591037
Energy: 1.4248111042567306
Energy: 1.133474905154596
Energy: 1.4780546875441851
Energy: 1.1341013970402696
Energy: 1.4780546875441851
Energy: 1.133474905154596
Energy: 1.4780546875441851
Energy: 1.133658937176312
Energy: 1.4157009350480025
Energy: 1.0900493798373188
Energy: 1.4157009350480025
Energy: 1.133658937176312
Energy: 1.4157009350480025
Energy: 1.1336228685911096
Energy: 1.415739475690379
Energy: 1.0905120654204916
Energy: 1.4157394756888928
Energy: 1.1336228685911096
Energy: 1.415739475690379
Energy: 1.1334729725262198
Energy: 1.477984607071005
Energy: 1.1407852956977502
Energy: 1.477984607071005
Energy: 1.1334729725262198
Energy: 1.477984607071005

minimum gb energy = 1.0900493798373188 eV
minimum distance =  2.20627712754747 Angstroms
sigma value = 11


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

Energy: 1.187052137595813
Energy: 1.3889771508285644
Energy: 1.1746048179895676
Energy: 1.3889771508285644
Energy: 1.1870521375969019
Energy: 1.3889771508285644
Energy: 1.025844094117763
Energy: 1.348099579399541
Energy: 1.0228992010054956
Energy: 1.3480995794006296
Energy: 1.025844094117763
Energy: 1.3480995794006296
Energy: 1.186842889662715
Energy: 1.3317795336729308
Energy: 1.1198622955554867
Energy: 1.3317795336729308
Energy: 1.186842889662715
Energy: 1.3317795336729308
Energy: 1.0332728887969271
Energy: 1.322150544176082
Energy: 1.0241250818637084
Energy: 1.322150544176082
Energy: 1.0332728887969271
Energy: 1.322150544176082
Energy: 1.0236268604178214
Energy: 1.388614987442333
Energy: 1.1048053425486846
Energy: 1.388614987442333
Energy: 1.0236268604178214
Energy: 1.388614987442333
Energy: 1.0512376435663695
Energy: 1.3556011816869358
Energy: 1.0227953559609073
Energy: 1.3556011816869358
Energy: 1.0512376435663695
Energy: 1.3556011816869358
Energy: 1.0499171183569327
Energy: 1.3670668097134533
Energy: 1.0231577665102762
Energy: 1.3670668097145422
Energy: 1.0499171183558438
Energy: 1.3670668097134533
Energy: 1.0547953744274723
Energy: 1.3894849668966194
Energy: 1.0372243207819745
Energy: 1.3894849668966194
Energy: 1.0547953744274723
Energy: 1.3894849668955307
Energy: 1.0545678188812235
Energy: 1.3886021002967956
Energy: 1.0233213030886006
Energy: 1.3886021002967956
Energy: 1.0545678188812235
Energy: 1.3886021002967956
Energy: 1.0513815087748795
Energy: 1.3331340700532754
Energy: 1.0228767664951888
Energy: 1.3331340700532754
Energy: 1.0513815087748795
Energy: 1.3331340700521865
Energy: 1.0499061938864978
Energy: 1.3541309126648113
Energy: 1.0229671656925687
Energy: 1.3541309126648113
Energy: 1.0499061938864978
Energy: 1.3541309126648113
Energy: 1.0249119925335604
Energy: 1.3890867873167074
Energy: 1.023249871250051
Energy: 1.3890867873167074
Energy: 1.0249119925335604
Energy: 1.3890867873167074
Energy: 1.0594405961775257
Energy: 1.2181829356334766
Energy: 1.0498675065062169
Energy: 1.2181829356334766
Energy: 1.0594405961764368
Energy: 1.2181829356334766
Energy: 1.1872506161480951
Energy: 1.3321401863071327
Energy: 1.0541458191394069
Energy: 1.3321401863060438
Energy: 1.1872506161480951
Energy: 1.3321401863060438
Energy: 1.029463368005501
Energy: 1.3492977027681137
Energy: 1.0229078666476157
Energy: 1.3492977027681137
Energy: 1.029463368005501
Energy: 1.3492977027681137
Energy: 1.1878728679744126
Energy: 1.3902366554145393
Energy: 1.0545418149673391
Energy: 1.3902366554145393
Energy: 1.1878728679755015
Energy: 1.3902366554145393
Energy: 1.0324077874854123
Energy: 1.3474468410844043
Energy: 1.0504141222795662
Energy: 1.3474468410844043
Energy: 1.0324077874843232
Energy: 1.3474468410844043
Energy: 1.1873661791878551
Energy: 1.3321558320099447
Energy: 1.0885611913680355
Energy: 1.3321558320099447
Energy: 1.1873661791889438
Energy: 1.3321558320099447
Energy: 1.0341132249314144
Energy: 1.321097909207294
Energy: 1.023146670996812
Energy: 1.321097909207294
Energy: 1.0341132249314144
Energy: 1.321097909208383
Energy: 1.0248263520272385
Energy: 1.3894011118447125
Energy: 1.0504754961732337
Energy: 1.3894011118436236
Energy: 1.0248263520272385
Energy: 1.3894011118447125
Energy: 1.2214776725693122
Energy: 1.359278820284754
Energy: 1.0232678570198772
Energy: 1.359278820283665
Energy: 1.2214776725693122
Energy: 1.359278820283665
Energy: 1.0514994273181515
Energy: 1.3661006454541365
Energy: 1.023424938811863
Energy: 1.3661006454530475
Energy: 1.0514994273192404
Energy: 1.3661006454541365
Energy: 1.0544206490803492
Energy: 1.3919719763985188
Energy: 1.0372275053631979
Energy: 1.3919719763985188
Energy: 1.0544206490814383
Energy: 1.3919719763985188
Energy: 1.025247344006781
Energy: 1.3894183680929553
Energy: 1.0231160518956515
Energy: 1.3894183680929553
Energy: 1.025247344006781
Energy: 1.3894183680918668
Energy: 1.0553004672550428
Energy: 1.3328490800557635
Energy: 1.023429000780729
Energy: 1.3328490800557635
Energy: 1.0553004672561315
Energy: 1.3328490800557635
Energy: 1.0513753215184938
Energy: 1.3555453806283957
Energy: 1.0230336374432731
Energy: 1.3555453806283957
Energy: 1.0513753215184938
Energy: 1.3555453806283957

minimum gb energy = 1.0227953559609073 eV
minimum distance =  2.24744116035874 Angstroms
sigma value = 41


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

Energy: 1.3953097778167516
Energy: 1.3385693379575512
Energy: 0.974660214397239
Energy: 1.3385693379575512
Energy: 1.3953097778176098
Energy: 1.3385693379575512
Energy: 1.2354719993395107
Energy: 1.2364990938408407
Energy: 0.9388803992300047
Energy: 1.2364990938408407
Energy: 1.2354719993395107
Energy: 1.236499093841699
Energy: 1.0471078220440277
Energy: 1.2745309352935326
Energy: 0.9750330756256376
Energy: 1.2745309352935326
Energy: 1.0471078220440277
Energy: 1.2745309352935326
Energy: 1.1022323967148115
Energy: 1.2033602074728205
Energy: 0.9389822571346456
Energy: 1.2033602074728205
Energy: 1.1022323967148115
Energy: 1.2033602074728205
Energy: 1.057357688158959
Energy: 1.2053749114421377
Energy: 1.0068311166712864
Energy: 1.2053749114421377
Energy: 1.057357688158959
Energy: 1.2053749114421377
Energy: 1.27255090586659
Energy: 1.270434692901041
Energy: 0.9388609275848329
Energy: 1.270434692901041
Energy: 1.27255090586659
Energy: 1.270434692901041
Energy: 0.940015557458568
Energy: 1.27379230642068
Energy: 0.9386524694965082
Energy: 1.2737923064215384
Energy: 0.940015557458568
Energy: 1.2737923064215384
Energy: 1.1372609210434599
Energy: 1.3050953132137126
Energy: 0.9430994091818568
Energy: 1.3050953132128547
Energy: 1.1372609210434599
Energy: 1.3050953132128547
Energy: 0.9746964812816757
Energy: 1.2561783690675448
Energy: 1.2352159826795088
Energy: 1.2561783690675448
Energy: 0.9746964812816757
Energy: 1.2561783690675448
Energy: 1.2793129128465195
Energy: 1.2745395652068119
Energy: 1.236597493802967
Energy: 1.2745395652068119
Energy: 1.2793129128465195
Energy: 1.2745395652076703
Energy: 1.278284211631102
Energy: 1.300770177441323
Energy: 1.2364002938926286
Energy: 1.300770177441323
Energy: 1.27828421163196
Energy: 1.300770177441323
Energy: 0.978204398346645
Energy: 1.3041302080680177
Energy: 0.9432228892543079
Energy: 1.3114031479403334
Energy: 0.978204398346645
Energy: 1.3041302080680177
Energy: 0.9748760139738102
Energy: 1.2470431116706862
Energy: 1.1664735029532662
Energy: 1.2470431116706862
Energy: 0.9748760139738102
Energy: 1.2470431116706862
Energy: 0.9389976900968066
Energy: 1.2746885623007538
Energy: 0.9390740805357572
Energy: 1.2746885623007538
Energy: 0.9389976900968066
Energy: 1.2746885623007538
Energy: 1.2716600495234482
Energy: 1.2723774334229019
Energy: 0.939061297621934
Energy: 1.2723774334229019
Energy: 1.2716600495243064
Energy: 1.2723774334229019
Energy: 1.0593983413884565
Energy: 1.3051965473277056
Energy: 0.9388172983608845
Energy: 1.3051965473277056
Energy: 1.0593983413884565
Energy: 1.3051965473277056
Energy: 1.235678552063661
Energy: 1.2708585451704457
Energy: 1.0072941910164062
Energy: 1.2708585451704457
Energy: 1.235678552063661
Energy: 1.2708585451704457
Energy: 1.046991196372606
Energy: 1.2739542060198639
Energy: 0.9749126840268428
Energy: 1.2739542060198639
Energy: 1.0469911963734644
Energy: 1.2739542060198639
Energy: 1.23533803171832
Energy: 1.2365639394390562
Energy: 0.9388539614174511
Energy: 1.2365639394390562
Energy: 1.23533803171832
Energy: 1.2365639394390562
Energy: 1.236711567286111
Energy: 1.2737947363196436
Energy: 1.1328996254220343
Energy: 1.2737947363196436
Energy: 1.236711567286111
Energy: 1.2737947363196436
Energy: 1.2326687459575616
Energy: 1.239068764293226
Energy: 0.9748864826546431
Energy: 1.239068764293226
Energy: 1.2326687459575616
Energy: 1.239068764293226
Energy: 1.0483163693030495
Energy: 1.2738433158166187
Energy: 0.9748869581904142
Energy: 1.2738433158166187
Energy: 1.0483163693030495
Energy: 1.2738433158166187
Energy: 1.2719731433646992
Energy: 1.2055518961605394
Energy: 0.9388260423934897
Energy: 1.2055518961613976
Energy: 1.271973143363841
Energy: 1.2055518961605394
Energy: 1.0591036359313855
Energy: 1.2464674081218066
Energy: 0.9751379037438314
Energy: 1.2464674081218066
Energy: 1.0591036359313855
Energy: 1.2464674081218066
Energy: 0.9759119662281994
Energy: 1.2463754154584756
Energy: 0.9386353702201048
Energy: 1.2463754154584756
Energy: 0.9759119662281994
Energy: 1.2463754154584756
Energy: 0.9390238268625709
Energy: 1.2038624442677928
Energy: 0.9389754422142452
Energy: 1.2038624442669346
Energy: 0.9390238268625709
Energy: 1.2038624442677928
Energy: 1.1363896600905592
Energy: 1.274113671507295
Energy: 0.9429477418377025
Energy: 1.274113671507295
Energy: 1.1363896600905592
Energy: 1.274113671507295
Energy: 0.9748371272828564
Energy: 1.2473744313721997
Energy: 1.2354235059804446
Energy: 1.2473744313721997
Energy: 0.9748371272828564
Energy: 1.2473744313721997
Energy: 1.1340207689206887
Energy: 1.2738098697439408
Energy: 1.2363278270849198
Energy: 1.2738098697439408
Energy: 1.1340207689206887
Energy: 1.2738098697439408
Energy: 0.9390514592898266
Energy: 1.2048948357004527
Energy: 1.2366442232510828
Energy: 1.2048948357004527
Energy: 0.9390514592898266
Energy: 1.2048948357004527
Energy: 0.9747931020446493
Energy: 1.2738819731502462
Energy: 0.9426160454804593
Energy: 1.2738819731502462
Energy: 0.9747931020446493
Energy: 1.2738819731502462
Energy: 0.9749171653625115
Energy: 1.282482469612325
Energy: 1.2356156485377288
Energy: 1.282482469612325
Energy: 0.9749171653625115
Energy: 1.282482469612325
Energy: 0.9390196110836535
Energy: 1.2737407161503649
Energy: 0.9386602316744944
Energy: 1.2737407161503649
Energy: 0.9390196110836535
Energy: 1.2737407161503649

minimum gb energy = 0.9386353702201048 eV
minimum distance =  2.23418683590403 Angstroms
sigma value = 33


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

Energy: 1.1674308017652217
Energy: 1.155160889289823
Energy: 0.8785657391613245
Energy: 1.1551608892904255
Energy: 1.1674308017670285
Energy: 1.155160889289823
Energy: 1.7170826763779157
Energy: 1.0688812222602952
Energy: 0.8388341852947507
Energy: 1.0688812222602952
Energy: 1.7170826763779157
Energy: 1.0688812222596928
Energy: 1.1487438807481205
Energy: 1.1614224161124975
Energy: 0.8574563906929616
Energy: 1.1614224161118953
Energy: 1.1487438807481205
Energy: 1.1614224161118953
Energy: 1.433923200599105
Energy: 1.0492074628422245
Energy: 0.8386169154662242
Energy: 1.0492074628422245
Energy: 1.433923200599105
Energy: 1.0492074628422245
Energy: 0.9156557263275602
Energy: 1.1368081047053948
Energy: 0.8617763746185285
Energy: 1.136808104705997
Energy: 0.9156557263275602
Energy: 1.1368081047053948
Energy: 1.3097322535832638
Energy: 1.122069945587263
Energy: 0.8387891092228439
Energy: 1.122069945587263
Energy: 1.3097322535826614
Energy: 1.122069945587263
Energy: 0.9074024250601372
Energy: 1.1040682595589764
Energy: 0.8387987476155286
Energy: 1.1040682595589764
Energy: 0.9074024250601372
Energy: 1.1040682595589764
Energy: 1.175948097624692
Energy: 0.9935433047200138
Energy: 0.8352196328476577
Energy: 0.9935433047200138
Energy: 1.175948097624692
Energy: 0.9935433047200138
Energy: 0.8368443963630773
Energy: 1.1446167047477096
Energy: 1.0522980335723937
Energy: 1.144616704748312
Energy: 0.8368443963624751
Energy: 1.1446167047477096
Energy: 1.072258765505978
Energy: 1.1583846117164245
Energy: 1.0472469283554007
Energy: 1.1583846117164245
Energy: 1.0722587655053755
Energy: 1.1583846117164245
Energy: 0.8389283786646644
Energy: 1.1232383786293654
Energy: 1.0477471924807422
Energy: 1.1232383786299678
Energy: 0.838928378664062
Energy: 1.1232383786293654
Energy: 1.324797363515487
Energy: 1.1577901070826557
Energy: 1.0564047107283145
Energy: 1.1577901070826557
Energy: 1.324797363515487
Energy: 1.157790107082053
Energy: 1.0543072007734122
Energy: 1.1444934892480938
Energy: 1.3000561468457503
Energy: 1.1444934892492984
Energy: 1.0543072007734122
Energy: 1.1444934892486958
Energy: 1.0777214430435555
Energy: 1.176652536891189
Energy: 1.3033617334621959
Energy: 1.1766525368905867
Energy: 1.0777214430435555
Energy: 1.1766525368905867
Energy: 1.0740568922218623
Energy: 1.1231958421318649
Energy: 1.3037324505423389
Energy: 1.12319584213066
Energy: 1.0740568922224645
Energy: 1.1231958421312624
Energy: 1.0587398460347441
Energy: 1.1571348033187152
Energy: 1.056378893487455
Energy: 1.1571348033193174
Energy: 1.0587398460347441
Energy: 1.1571348033181132
Energy: 1.0544448357932377
Energy: 1.1522183044504652
Energy: 1.2997655983260534
Energy: 1.1522183044510679
Energy: 1.0544448357932377
Energy: 1.1522183044504652
Energy: 0.8439732285966884
Energy: 1.1764437462262236
Energy: 1.0473125644899872
Energy: 1.1764437462262236
Energy: 0.8439732285966884
Energy: 1.1764437462262236
Energy: 1.0741408408415936
Energy: 1.1522820188175238
Energy: 1.0471063169050834
Energy: 1.1522820188169216
Energy: 1.0741408408415936
Energy: 1.1522820188175238
Energy: 0.8411997640010312
Energy: 1.1577105753749395
Energy: 0.8353200519776663
Energy: 1.1577105753749395
Energy: 0.8411997640010312
Energy: 1.1577105753749395
Energy: 1.0546793144356212
Energy: 1.1447993077615488
Energy: 1.051986672766306
Energy: 1.1447993077615488
Energy: 1.0546793144356212
Energy: 1.1447993077609464
Energy: 0.9107428644270201
Energy: 1.1764356076916949
Energy: 0.8386490681754415
Energy: 1.1764356076916949
Energy: 0.9107428644270201
Energy: 1.1764356076922973
Energy: 1.3147553492170851
Energy: 1.1620685035766625
Energy: 0.8441647802276503
Energy: 1.1620685035772649
Energy: 1.3147553492170851
Energy: 1.1620685035772649
Energy: 0.9182261313750971
Energy: 1.1692487815206727
Energy: 0.8385697857185425
Energy: 1.1692487815206727
Energy: 0.9182261313744947
Energy: 1.1692487815206727
Energy: 1.29992436639364
Energy: 1.144087744360438
Energy: 1.0552482774700203
Energy: 1.144087744360438
Energy: 1.29992436639364
Energy: 1.144087744360438
Energy: 1.056465299548835
Energy: 1.1767881604136543
Energy: 0.8568266703642071
Energy: 1.1767881604148591
Energy: 1.0564652995494372
Energy: 1.1767881604136543
Energy: 1.5808812198774187
Energy: 1.0479605328371138
Energy: 0.8438070429133325
Energy: 1.0479605328383184
Energy: 1.580881219878021
Energy: 1.0479605328383184
Energy: 1.0802256371701666
Energy: 1.1750484080097774
Energy: 0.9748614773722297
Energy: 1.1750484080097774
Energy: 1.0802256371695642
Energy: 1.1750484080097774
Energy: 1.3021267734438902
Energy: 1.1224122245681865
Energy: 1.0553055857196751
Energy: 1.1224122245681865
Energy: 1.3021267734438902
Energy: 1.122412224567584
Energy: 1.056837379929575
Energy: 1.1766766885464877
Energy: 0.8908641335877089
Energy: 1.1766766885458853
Energy: 1.056837379929575
Energy: 1.1766766885464877
Energy: 1.3120882515028962
Energy: 1.0464468018850315
Energy: 0.8438324092563754
Energy: 1.0464468018850315
Energy: 1.3120882515022942
Energy: 1.0464468018850315
Energy: 0.917961395726086
Energy: 1.1585099069766847
Energy: 0.8576775029187464
Energy: 1.1585099069766847
Energy: 0.9179613957254837
Energy: 1.1585099069766847
Energy: 1.0539017498771694
Energy: 1.0988232750090685
Energy: 0.8409526373454969
Energy: 1.0988232750096707
Energy: 1.0539017498771694
Energy: 1.0988232750090685
Energy: 0.9100162703597042
Energy: 1.1047875380109426
Energy: 1.0745579435417691
Energy: 1.1047875380103405
Energy: 0.9100162703597042
Energy: 1.1047875380103405
Energy: 1.0745038392478865
Energy: 1.104649470383596
Energy: 0.9102506546413959
Energy: 1.1046494703841983
Energy: 1.0745038392478865
Energy: 1.104649470383596
Energy: 0.840957516967184
Energy: 1.0988045585545279
Energy: 1.0538468082514698
Energy: 1.0988045585545279
Energy: 0.8409575169665817
Energy: 1.0988045585545279
Energy: 0.8577715440564818
Energy: 1.158511768723449
Energy: 0.9180417694855099
Energy: 1.158511768723449
Energy: 0.8577715440570841
Energy: 1.158511768723449
Energy: 0.8438404025681752
Energy: 1.0464595346540626
Energy: 1.3122375854778712
Energy: 1.0464595346546648
Energy: 0.8438404025675728
Energy: 1.0464595346546648
Energy: 0.8908641335895158
Energy: 1.176671595733257
Energy: 1.0567786339797052
Energy: 1.176671595733257
Energy: 0.8908641335889135
Energy: 1.176671595733257
Energy: 0.9435218568359237
Energy: 1.1226394821737806
Energy: 1.302131815514284
Energy: 1.1226394821737806
Energy: 0.943521856836526
Energy: 1.1226394821731782
Energy: 0.974895929148998
Energy: 1.1750376378200176
Energy: 1.0801616408367098
Energy: 1.1750376378206198
Energy: 0.974895929148998
Energy: 1.1750376378206198
Energy: 0.8438241356036186
Energy: 0.9966064826594534
Energy: 1.5804301942294643
Energy: 0.9966064826564419
Energy: 0.8438241356036186
Energy: 0.9966064826576464
Energy: 0.8568288676973901
Energy: 1.1767657550095283
Energy: 1.0566959111810559
Energy: 1.1767657550101307
Energy: 0.8568288676967878
Energy: 1.1767657550095283
Energy: 0.9432649236659958
Energy: 1.1440001496485466
Energy: 1.2999497605397474
Energy: 1.1440001496485466
Energy: 0.9432649236659958
Energy: 1.1440001496485466
Energy: 0.8386129764934006
Energy: 1.1691684047492596
Energy: 0.918264747619947
Energy: 1.1691684047498618
Energy: 0.8386129764934006
Energy: 1.1691684047492596
Energy: 0.8441850015914477
Energy: 1.1620685035766625
Energy: 1.3151727262927173
Energy: 1.1620685035766625
Energy: 0.8441850015914477
Energy: 1.1620685035766625
Energy: 0.8385107946201161
Energy: 1.176639022364548
Energy: 0.9107107020160761
Energy: 1.1766390223651504
Energy: 0.8385107946201161
Energy: 1.176639022364548

minimum gb energy = 0.8352196328476577 eV
minimum distance =  2.26711346449344 Angstroms
sigma value = 67


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

Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 1.6782483315568641
Energy: 0.2536111186348484
Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 0.2743461559514582
Energy: 0.8586799845793454
Energy: 0.6599062676752997
Energy: 0.8586799845789336
Energy: 0.2743461559518699
Energy: 0.8586799845793454
Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 1.4734421739100796
Energy: 0.2536111186352601
Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 0.2743461559514582
Energy: 0.8586799845789336
Energy: 0.6599067952289132
Energy: 0.8586799845789336
Energy: 0.2743461559514582
Energy: 0.8586799845793454
Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 1.4734421739093022
Energy: 0.2536111186348484
Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 0.2743461559518699
Energy: 0.8586799845797569
Energy: 0.6599053170214861
Energy: 0.8586799845789336
Energy: 0.2743461559514582
Energy: 0.8586799845793454
Energy: 0.25281905467459975
Energy: 0.2536111186348484
Energy: 1.4734421739097137
Energy: 0.2536111186352601
Energy: 0.2528190546741881
Energy: 0.2536111186348484

minimum gb energy = 0.2528190546741881 eV
minimum distance =  2.43390687692378 Angstroms
sigma value = 3


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

Energy: 1.3837286585891855
Energy: 1.1521810731984083
Energy: 0.9545805315156684
Energy: 1.1521810731984083
Energy: 1.3837286585891855
Energy: 1.152181073198956
Energy: 1.651937695451278
Energy: 0.8615285082302729
Energy: 0.8521406898905243
Energy: 0.8615285082302729
Energy: 1.651937695451278
Energy: 0.8615285082302729
Energy: 1.248539250512473
Energy: 1.1709104914846267
Energy: 0.955154124956999
Energy: 1.1709104914846267
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Energy: 0.8397318974431864
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Energy: 1.2823963574506472
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Energy: 1.2828857704103502
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Energy: 1.1163242475762984
Energy: 0.8517614726667977
Energy: 1.116324247576846
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Energy: 1.116324247576846
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Energy: 1.1266729089500418
Energy: 0.8545915856984224
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Energy: 1.2708047055672804
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Energy: 0.8632384024720084
Energy: 1.0925387845460865
Energy: 1.0317688446357627
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Energy: 1.090312420456423
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Energy: 1.1266425482945985
Energy: 1.0290108402773492
Energy: 1.1266425482945985
Energy: 1.0262326125276835
Energy: 1.1266425482951463
Energy: 0.8409714751942383
Energy: 1.0174107342323297
Energy: 1.2621697977571809
Energy: 1.017410734232878
Energy: 0.8409714751942383
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Energy: 0.8403308431704338
Energy: 1.0925422866201537
Energy: 1.045598351668662
Energy: 1.0925422866196062
Energy: 0.8403308431704338
Energy: 1.0925422866201537
Energy: 0.8592005767556173
Energy: 1.032742522549759
Energy: 1.2622670322376142
Energy: 1.032742522549211
Energy: 0.8592005767550698
Energy: 1.032742522549759
Energy: 0.8421636568840141
Energy: 1.1268067987215877
Energy: 1.2809806824130308
Energy: 1.1268067987215877
Energy: 0.8421636568840141
Energy: 1.1268067987215877
Energy: 0.8412245377179983
Energy: 0.8578989900257638
Energy: 1.396887563076381
Energy: 0.8578989900257638
Energy: 0.8412245377179983
Energy: 0.8578989900257638
Energy: 0.856641232469882
Energy: 1.1473432828763508
Energy: 1.2989447301467663
Energy: 1.1473432828758026
Energy: 0.856641232469882
Energy: 1.1473432828758026
Energy: 0.859262978842117
Energy: 0.8741877112765482
Energy: 1.4043001127789947
Energy: 0.8741877112760004
Energy: 0.8592629788415693
Energy: 0.8741877112760004
Energy: 0.8732478249187355
Energy: 1.1266056948893564
Energy: 1.280799163543077
Energy: 1.126605694890452
Energy: 0.8732478249192833
Energy: 1.1266056948899044
Energy: 0.8411735342729897
Energy: 0.8569384600872402
Energy: 1.3972205897562302
Energy: 0.8569384600877381
Energy: 0.8411735342729897
Energy: 0.8569384600872402
Energy: 0.8564347828931922
Energy: 1.0926095264507634
Energy: 1.0455823086171512
Energy: 1.0926095264507634
Energy: 0.8564347828926443
Energy: 1.0926095264502156
Energy: 0.853019864006817
Energy: 1.0264269638071943
Energy: 1.150604875780713
Energy: 1.0264269638071943
Energy: 0.853019864006817
Energy: 1.0264269638066466
Energy: 1.040106982450998
Energy: 1.0865165191797665
Energy: 1.0283653098401135
Energy: 1.0865165191797665
Energy: 1.040106982450998
Energy: 1.0865165191797665

minimum gb energy = 0.8397318974431864 eV
minimum distance =  2.24192436459771 Angstroms
sigma value = 81


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

Energy: 1.445970188900262
Energy: 1.2994953559225402
Energy: 1.056909116906058
Energy: 1.2994953559225402
Energy: 1.4459701888995105
Energy: 1.2994953559232918
Energy: 1.5476425694430127
Energy: 0.9537504559983012
Energy: 0.9360671432470538
Energy: 0.9537504559983012
Energy: 1.5476425694430127
Energy: 0.9537504559983012
Energy: 1.3954330564474577
Energy: 1.2903963785188792
Energy: 1.1455947577491856
Energy: 1.2903963785188792
Energy: 1.3954330564474577
Energy: 1.2903963785188792
Energy: 1.2844002009417754
Energy: 0.9942980736954619
Energy: 0.9457888959012486
Energy: 0.9942980736954619
Energy: 1.2844002009417754
Energy: 0.9942980736954619
Energy: 1.070554058067861
Energy: 1.2057777056854597
Energy: 1.0033027978462863
Energy: 1.2057777056854597
Energy: 1.070554058067861
Energy: 1.2057777056854597
Energy: 1.2832857494301597
Energy: 1.1954719565094492
Energy: 1.010688525286479
Energy: 1.1954719565102008
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Energy: 1.1954719565094492
Energy: 1.0394770669634565
Energy: 1.198962112526684
Energy: 1.1543090993351657
Energy: 1.198962112526684
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Energy: 1.198962112527436
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Energy: 1.1952332523898581
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Energy: 1.0118391719053286
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Energy: 0.9386714134614117
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Energy: 0.9386714134614117
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Energy: 1.0292819050080675
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Energy: 0.932442967043363
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Energy: 0.9406605299232959
Energy: 1.2691178117201216
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Energy: 0.9406605299232959
Energy: 1.2691178117201216
Energy: 0.9290164323816993
Energy: 1.1669935697879765
Energy: 1.2960814166346135
Energy: 1.1669935697879765
Energy: 0.9290164323816993
Energy: 1.1669935697879765
Energy: 1.0068635988397612
Energy: 1.2586621777967693
Energy: 1.3018222768801908
Energy: 1.2586621777967693
Energy: 1.0068635988397612
Energy: 1.2586621777960174
Energy: 1.0062482083029805
Energy: 1.1647250834217129
Energy: 1.279468099113271
Energy: 1.1647250834217129
Energy: 1.0062482083029805
Energy: 1.1647250834217129
Energy: 1.0113717336139754
Energy: 1.269143474328752
Energy: 1.0464365173453143
Energy: 1.269143474328752
Energy: 1.0113717336139754
Energy: 1.269143474328752
Energy: 1.0107183387139167
Energy: 1.2021184444833368
Energy: 1.129244861864614
Energy: 1.2021184444833368
Energy: 1.0107183387139167
Energy: 1.2021184444833368
Energy: 1.2792876746451831
Energy: 1.2447266828993055
Energy: 1.0203312621591536
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Energy: 1.2792876746451831
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Energy: 1.2805286144330505
Energy: 1.258761211908956
Energy: 1.001615003986019
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Energy: 1.280528614432299
Energy: 1.258761211908956
Energy: 1.3518025820528843
Energy: 1.2693415012452456
Energy: 0.9441916334166185
Energy: 1.2693415012452456
Energy: 1.3518025820528843
Energy: 1.2693415012452456
Energy: 1.351138517635641
Energy: 1.2606199628962278
Energy: 1.0631113487532369
Energy: 1.2606199628962278
Energy: 1.351138517635641
Energy: 1.2606199628962278
Energy: 1.4690525703356403
Energy: 1.1958760682669791
Energy: 0.9385756363072241
Energy: 1.1958760682669791
Energy: 1.4690525703348882
Energy: 1.1958760682669791
Energy: 1.4648545774447488
Energy: 1.2360279559328684
Energy: 0.9387709342980185
Energy: 1.2360279559328684
Energy: 1.4648545774447488
Energy: 1.2360279559328684
Energy: 1.351326363976188
Energy: 1.2606200435264914
Energy: 1.1618608752519977
Energy: 1.2606200435264914
Energy: 1.351326363976188
Energy: 1.2606200435264914
Energy: 1.34031264735981
Energy: 1.2693598180125067
Energy: 0.9437466121399377
Energy: 1.2693598180125067
Energy: 1.34031264735981
Energy: 1.2693598180125067
Energy: 1.2794128018887596
Energy: 1.2661406779474704
Energy: 1.0015164976964421
Energy: 1.2661406779474704
Energy: 1.279412801888008
Energy: 1.2661406779474704
Energy: 1.2818944936155834
Energy: 1.2449349549175888
Energy: 1.020841773111299
Energy: 1.2449349549175888
Energy: 1.2818944936148315
Energy: 1.2449349549175888
Energy: 1.0109121762677316
Energy: 1.2026100200567187
Energy: 1.2862585849341541
Energy: 1.2026100200567187
Energy: 1.0109121762669797
Energy: 1.2026100200567187
Energy: 1.0113034966216188
Energy: 1.2691911851700444
Energy: 1.0548914592637835
Energy: 1.2691911851700444
Energy: 1.0113034966216188
Energy: 1.2691911851700444
Energy: 1.006529417168846
Energy: 1.164725083422465
Energy: 1.2308050472927714
Energy: 1.164725083422465
Energy: 1.006529417168846
Energy: 1.164725083422465
Energy: 0.9987351255327563
Energy: 1.2584593242511142
Energy: 1.3016282546149234
Energy: 1.2584593242511142
Energy: 0.9987351255335083
Energy: 1.2584593242511142
Energy: 0.9288468331040491
Energy: 1.1699239675473263
Energy: 1.4566414148291738
Energy: 1.1699239675473263
Energy: 0.9288468331040491
Energy: 1.1699239675473263
Energy: 0.94060709232002
Energy: 1.269137163479448
Energy: 1.3022875465641501
Energy: 1.269137163479448
Energy: 0.94060709232002
Energy: 1.269137163479448
Energy: 0.9324711106013068
Energy: 0.9303740905086955
Energy: 1.3820764274535144
Energy: 0.9303740905086955
Energy: 0.9324711106013068
Energy: 0.9303740905086955
Energy: 1.0292819050080675
Energy: 1.2584679342465344
Energy: 1.3017973033284171
Energy: 1.2584679342465344
Energy: 1.0292819050073159
Energy: 1.2584679342465344
Energy: 0.9387757780558567
Energy: 0.9302125138498519
Energy: 1.3942609618322153
Energy: 0.9302125138491342
Energy: 0.9387757780558567
Energy: 0.9302125138491342
Energy: 1.0114874836083887
Energy: 1.1949442747634238
Energy: 1.0547237930315814
Energy: 1.1949442747634238
Energy: 1.0114874836076366
Energy: 1.1949442747634238
Energy: 1.0394640738714496
Energy: 1.220268612152165
Energy: 1.1423760904547038
Energy: 1.220268612152165
Energy: 1.0394640738714496
Energy: 1.220268612152165

minimum gb energy = 0.9288468331040491 eV
minimum distance =  2.18643186791636 Angstroms
sigma value = 43


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

Energy: 1.466822604714979
Energy: 1.3593410997737072
Energy: 1.1680271037232928
Energy: 1.359341099774631
Energy: 1.466822604714979
Energy: 1.359341099774631
Energy: 1.333185147444064
Energy: 1.0460612098501694
Energy: 0.9947003543474389
Energy: 1.0460612098492457
Energy: 1.333185147444064
Energy: 1.0460612098492457
Energy: 1.0459752518582022
Energy: 1.2888653929531761
Energy: 1.1278721669773883
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Energy: 1.3362544301718722
Energy: 0.9874894122792063
Energy: 0.990670008687135
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Energy: 1.3362544301718722
Energy: 0.9874894122792063
Energy: 0.9952629539080023
Energy: 1.2971324715501586
Energy: 1.1683825805790007
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Energy: 0.9952629539080023
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Energy: 1.002432922078456
Energy: 1.2846390959467542
Energy: 0.9930942180370197
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Energy: 1.1476018207676808
Energy: 1.1614583712880435
Energy: 1.1476018207667575
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Energy: 1.0680616125819309
Energy: 1.274503433842651
Energy: 1.045271802905605
Energy: 1.274503433842651
Energy: 1.0680616125828544
Energy: 1.274503433842651
Energy: 0.9868712645000778
Energy: 1.1517384394212231
Energy: 1.4562218444522639
Energy: 1.1517384394212231
Energy: 0.9868712645000778
Energy: 1.1517384394212231
Energy: 1.0030184758061613
Energy: 1.3480823981555945
Energy: 1.4183148093004103
Energy: 1.3480823981555945
Energy: 1.0030184758061613
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Energy: 0.9894526731019165
Energy: 1.3316142847868773
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Energy: 0.9894526731019165
Energy: 1.3316142847868773
Energy: 0.9874749182442246
Energy: 1.273777593883076
Energy: 1.0457240904222542
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Energy: 0.9874749182442246
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Energy: 0.9869020324697203
Energy: 0.9870421479669419
Energy: 1.2614835293445634
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Energy: 0.9869020324697203
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Energy: 0.989782019991274
Energy: 1.348155549023153
Energy: 0.9934583269498171
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Energy: 0.989782019991274
Energy: 1.348155549023153
Energy: 0.9893582337352196
Energy: 1.281255836799296
Energy: 0.9869394023078005
Energy: 1.281255836799296
Energy: 0.9893582337352196
Energy: 1.281255836799296
Energy: 1.361454396362191
Energy: 1.146644847043144
Energy: 0.9951917939501508
Energy: 1.146644847043144
Energy: 1.361454396362191
Energy: 1.146644847043144
Energy: 1.3858135695586697
Energy: 1.2725197601215428
Energy: 1.2747500087740697
Energy: 1.2725197601215428
Energy: 1.3858135695586697
Energy: 1.2725197601215428
Energy: 1.4200674877529738
Energy: 1.3480588707400931
Energy: 0.9869303743051014
Energy: 1.3480588707400931
Energy: 1.4200674877529738
Energy: 1.3480588707400931
Energy: 1.4220538005586234
Energy: 1.3465392715979632
Energy: 0.9872797957915364
Energy: 1.3465392715979632
Energy: 1.4220538005586234
Energy: 1.3465392715979632
Energy: 1.359301064129113
Energy: 1.3327023561366127
Energy: 0.9910862567951063
Energy: 1.3327023561356894
Energy: 1.359301064129113
Energy: 1.3327023561356894
Energy: 1.3856645903041904
Energy: 1.3954759150019038
Energy: 0.9981273795092439
Energy: 1.3954759150019038
Energy: 1.3856645903041904
Energy: 1.3954759150019038
Energy: 0.9898783009676412
Energy: 1.2806020220876209
Energy: 0.9868302580022731
Energy: 1.2806020220876209
Energy: 0.9898783009676412
Energy: 1.2806020220876209
Energy: 0.9895202775147969
Energy: 1.346302886201197
Energy: 0.9920894746619785
Energy: 1.346302886201197
Energy: 0.9895202775138734
Energy: 1.346302886201197
Energy: 0.9876560010143505
Energy: 1.2820758626478832
Energy: 0.9896476599907603
Energy: 1.2820758626478832
Energy: 0.9876560010143505
Energy: 1.2820758626478832
Energy: 0.9868015116233516
Energy: 1.3956859323122262
Energy: 1.0450356342880327
Energy: 1.3956859323122262
Energy: 0.9868015116233516
Energy: 1.3956859323122262
Energy: 0.9900397406738867
Energy: 1.331177753788405
Energy: 1.3316951427251955
Energy: 1.331177753788405
Energy: 0.9900397406738867
Energy: 1.331177753788405
Energy: 1.002846341015996
Energy: 1.3461471841958303
Energy: 1.4184280750525688
Energy: 1.3461471841958303
Energy: 1.002846341015996
Energy: 1.3461471841958303
Energy: 0.9877531030620449
Energy: 1.3224816896665144
Energy: 1.2323367235834177
Energy: 1.3224816896665144
Energy: 0.9877531030620449
Energy: 1.3224816896665144
Energy: 1.0674529997987339
Energy: 1.2731711117872462
Energy: 1.0450483070227172
Energy: 1.2731711117872462
Energy: 1.0674529997987339
Energy: 1.2731711117872462
Energy: 0.989911420776437
Energy: 1.1467040929566135
Energy: 1.160583543711902
Energy: 1.1467040929575367
Energy: 0.989911420776437
Energy: 1.1467040929566135
Energy: 0.9872704799046534
Energy: 1.283657613979779
Energy: 0.9916736286458773
Energy: 1.2836576139788558
Energy: 0.9872704799037298
Energy: 1.2836576139788558

minimum gb energy = 0.9868015116233516 eV
minimum distance =  2.23650875852035 Angstroms
sigma value = 57


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

Energy: 1.1364439069899521
Energy: 1.4459879792723607
Energy: 1.2910981186761816
Energy: 1.445987979271165
Energy: 1.1364439069899521
Energy: 1.445987979271165
Energy: 1.317115798285505
Energy: 1.1440226363695787
Energy: 1.059133726462806
Energy: 1.1440226363695787
Energy: 1.317115798285505
Energy: 1.1440226363695787
Energy: 1.0564553591578274
Energy: 1.4480153287262696
Energy: 1.2220132196186448
Energy: 1.4480153287262696
Energy: 1.0564553591578274
Energy: 1.4480153287262696
Energy: 1.0547728612603273
Energy: 1.060569843021012
Energy: 1.0590280692465148
Energy: 1.060569843021012
Energy: 1.0547728612603273
Energy: 1.060569843021012
Energy: 1.0571000918058282
Energy: 1.0627838968400913
Energy: 1.209286450038067
Energy: 1.0627838968400913
Energy: 1.0571000918058282
Energy: 1.0627838968400913
Energy: 1.076652236712396
Energy: 1.4359811476856466
Energy: 1.056265546097689
Energy: 1.4359811476856466
Energy: 1.076652236712396
Energy: 1.4359811476856466
Energy: 1.0590033257506848
Energy: 1.268372684812048
Energy: 1.3012930459623182
Energy: 1.268372684812048
Energy: 1.0590033257506848
Energy: 1.268372684813244
Energy: 1.0732866623630846
Energy: 1.4301673898368084
Energy: 1.1370431455168393
Energy: 1.4301673898368084
Energy: 1.0732866623630846
Energy: 1.4301673898368084
Energy: 1.057393749081666
Energy: 1.14221593273134
Energy: 1.208940344616748
Energy: 1.14221593273134
Energy: 1.057393749081666
Energy: 1.14221593273134
Energy: 1.0632270291702546
Energy: 1.4364982676784352
Energy: 1.0564603764592393
Energy: 1.4364982676784352
Energy: 1.0632270291702546
Energy: 1.4364982676784352
Energy: 1.058951084974461
Energy: 1.0589799231376595
Energy: 1.0597972223853476
Energy: 1.0589799231376595
Energy: 1.058951084974461
Energy: 1.0589799231376595
Energy: 1.0613444769749987
Energy: 1.2652359435729936
Energy: 1.0595168163126722
Energy: 1.2652359435729936
Energy: 1.0613444769749987
Energy: 1.2652359435729936
Energy: 1.0576683939410088
Energy: 1.4341305994314033
Energy: 1.1282241708352945
Energy: 1.4341305994314033
Energy: 1.0576683939410088
Energy: 1.4341305994314033
Energy: 1.3415078859505878
Energy: 1.4226944504738175
Energy: 1.0630408647766858
Energy: 1.4226944504738175
Energy: 1.3415078859505878
Energy: 1.4226944504738175
Energy: 1.621147023727987
Energy: 1.427433786466294
Energy: 1.0694393159389737
Energy: 1.427433786466294
Energy: 1.621147023727987
Energy: 1.427433786466294
Energy: 1.0613909122505911
Energy: 1.4774585681104002
Energy: 1.0598229846289773
Energy: 1.4774585681104002
Energy: 1.0613909122493956
Energy: 1.4774585681104002
Energy: 1.0582071429733015
Energy: 1.2666889367355991
Energy: 1.0589125966624047
Energy: 1.2666889367355991
Energy: 1.0582071429733015
Energy: 1.2666889367355991
Energy: 1.065025058603358
Energy: 1.2947876810870476
Energy: 1.0650453030877063
Energy: 1.2947876810870476
Energy: 1.065025058603358
Energy: 1.2947876810870476
Energy: 1.0589114887089448
Energy: 1.2666888074783282
Energy: 1.058206676569614
Energy: 1.2666888074783282
Energy: 1.0589114887089448
Energy: 1.2666888074783282
Energy: 1.0599566956266278
Energy: 1.4776815472436173
Energy: 1.0628863805553523
Energy: 1.4776815472436173
Energy: 1.0599566956266278
Energy: 1.4776815472448128
Energy: 1.0694226159901596
Energy: 1.4273074089810376
Energy: 1.6210784014592208
Energy: 1.4273074089810376
Energy: 1.0694226159913554
Energy: 1.4273074089810376
Energy: 1.0630703730257263
Energy: 1.2665651606509782
Energy: 1.3409101954809433
Energy: 1.2665651606509782
Energy: 1.0630703730245303
Energy: 1.2665651606509782
Energy: 1.1516362401587992
Energy: 1.4341024612107758
Energy: 1.0576799890679385
Energy: 1.4341024612107758
Energy: 1.1516362401587992
Energy: 1.4341024612107758
Energy: 1.0595123518430314
Energy: 1.2652610034812763
Energy: 1.0612975581377657
Energy: 1.2652610034800806
Energy: 1.0595123518430314
Energy: 1.2652610034812763

minimum gb energy = 1.0547728612603273 eV
minimum distance =  2.24258243336959 Angstroms
sigma value = 17


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

Energy: 1.1103319874681028
Energy: 1.1088594223530785
Energy: 1.6652781981260285
Energy: 1.1088594223530785
Energy: 1.110331987466412
Energy: 1.1088594223530785
Energy: 1.1216746205796861
Energy: 1.1081266711782347
Energy: 1.1080821765712
Energy: 1.1081266711782347
Energy: 1.1216746205796861
Energy: 1.1081266711782347
Energy: 1.1007573026394937
Energy: 1.1005956510195916
Energy: 1.10438142629198
Energy: 1.1005956510195916
Energy: 1.1007573026394937
Energy: 1.1005956510212824
Energy: 1.128647883917594
Energy: 1.1016374797856847
Energy: 1.1026286171026032
Energy: 1.1016374797856847
Energy: 1.128647883917594
Energy: 1.1016374797856847
Energy: 1.1069956299956283
Energy: 1.1071017461402541
Energy: 1.405290502794093
Energy: 1.1071017461402541
Energy: 1.1069956299956283
Energy: 1.1071017461402541
Energy: 1.1032832991912271
Energy: 1.1095915298589105
Energy: 1.112462060246458
Energy: 1.1095915298589105
Energy: 1.1032832991912271
Energy: 1.1095915298589105
Energy: 1.1102229751188564
Energy: 1.294924863483128
Energy: 1.12399408984921
Energy: 1.294924863483128
Energy: 1.1102229751188564
Energy: 1.294924863483128
Energy: 1.1076992752127803
Energy: 1.2833550708208652
Energy: 1.1027112125281981
Energy: 1.2833550708208652
Energy: 1.1076992752127803
Energy: 1.2833550708208652
Energy: 1.1069722438700926
Energy: 1.1040333160886895
Energy: 1.2925621935719949
Energy: 1.1040333160886895
Energy: 1.1069722438700926
Energy: 1.1040333160886895
Energy: 1.1081364875294641
Energy: 1.085553422254502
Energy: 1.1085908566060219
Energy: 1.085553422254502
Energy: 1.1081364875294641
Energy: 1.085553422254502
Energy: 1.1092423689287207
Energy: 1.390235214466404
Energy: 1.1066025138685747
Energy: 1.390235214466404
Energy: 1.1092423689287207
Energy: 1.390235214466404
Energy: 1.1013180030531082
Energy: 1.1018677293966563
Energy: 1.1063230200512177
Energy: 1.1018677293966563
Energy: 1.1013180030531082
Energy: 1.1018677293966563
Energy: 1.1069690688559586
Energy: 1.2830215836998031
Energy: 1.1012755393815634
Energy: 1.2830215836998031
Energy: 1.1069690688559586
Energy: 1.2830215836998031
Energy: 1.1016244883899222
Energy: 1.1021967012054232
Energy: 1.10082350915251
Energy: 1.1021967012054232
Energy: 1.1016244883899222
Energy: 1.1021967012054232
Energy: 1.1102645313076638
Energy: 1.394913059231664
Energy: 1.1084414125365047
Energy: 1.394913059231664
Energy: 1.1102645313076638
Energy: 1.394913059231664
Energy: 1.1065647324015557
Energy: 1.3894946153353969
Energy: 1.108172948600854
Energy: 1.3894946153353969
Energy: 1.1065647324015557
Energy: 1.3894946153353969
Energy: 1.1072748952254399
Energy: 1.101589694792355
Energy: 1.1007659807332253
Energy: 1.101589694792355
Energy: 1.1072748952254399
Energy: 1.101589694792355

minimum gb energy = 1.085553422254502 eV
minimum distance =  2.25294857099269 Angstroms
sigma value = 17


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

Energy: 1.6673844775093447
Energy: 1.6611227100088577
Energy: 1.4145730780573165
Energy: 1.6611227100088577
Energy: 1.6673844775093447
Energy: 1.6611227100095107
Energy: 1.3776392555355497
Energy: 1.0890321814361348
Energy: 1.0776203251513394
Energy: 1.0890321814361348
Energy: 1.3776392555355497
Energy: 1.0890321814361348
Energy: 1.0818577611549844
Energy: 1.1873864282194015
Energy: 1.3401149816638995
Energy: 1.1873864282194015
Energy: 1.0818577611549844
Energy: 1.1873864282187487
Energy: 1.087383853948572
Energy: 1.0761378172034375
Energy: 1.2037920342275095
Energy: 1.0761378172034375
Energy: 1.087383853948572
Energy: 1.0761378172034375
Energy: 1.0752606230477026
Energy: 1.1270428977532922
Energy: 1.3977232665546515
Energy: 1.1270428977532922
Energy: 1.0752606230477026
Energy: 1.1270428977532922
Energy: 1.2027761004213997
Energy: 1.0883025569648461
Energy: 1.2340096988236484
Energy: 1.0883025569654994
Energy: 1.2027761004213997
Energy: 1.0883025569654994
Energy: 1.0784855210585806
Energy: 1.2070561613320387
Energy: 1.4260318325428993
Energy: 1.2070561613320387
Energy: 1.0784855210592337
Energy: 1.2070561613320387
Energy: 1.3607387040536323
Energy: 1.0745876166500805
Energy: 1.0751564656941692
Energy: 1.0745876166500805
Energy: 1.3607387040536323
Energy: 1.0745876166500805
Energy: 1.2380114776149078
Energy: 1.0817552962250265
Energy: 1.0899032458452398
Energy: 1.0817552962250265
Energy: 1.2380114776149078
Energy: 1.0817552962250265
Energy: 1.3428324407759178
Energy: 1.129517613201016
Energy: 1.079121913286147
Energy: 1.1701077068074814
Energy: 1.342832440775265
Energy: 1.129517613201016
Energy: 1.20797080246857
Energy: 1.0818900917318846
Energy: 1.177777667035906
Energy: 1.0818900917312315
Energy: 1.20797080246857
Energy: 1.0818900917312315
Energy: 1.0867389230561029
Energy: 1.1052667015696058
Energy: 1.0814819498638402
Energy: 1.1052667015689528
Energy: 1.0867389230561029
Energy: 1.1052667015696058
Energy: 1.0796362382415636
Energy: 1.076398999768617
Energy: 1.400109218679305
Energy: 1.076398999768617
Energy: 1.0796362382415636
Energy: 1.076398999768617
Energy: 1.0869371251595799
Energy: 1.539357611923837
Energy: 1.627892974460798
Energy: 1.539357611923837
Energy: 1.0869371251595799
Energy: 1.539357611923837
Energy: 1.0932700133938102
Energy: 1.6562511789593564
Energy: 1.1951282881186427
Energy: 1.6562511789587033
Energy: 1.0932700133938102
Energy: 1.6562511789593564
Energy: 1.2021586803085074
Energy: 1.5845156820905382
Energy: 1.0815567695855983
Energy: 1.6142613558547072
Energy: 1.2021586803085074
Energy: 1.383226817150631
Energy: 1.2020465468421113
Energy: 1.3641530208802513
Energy: 1.0799295243480527
Energy: 1.3641530208809043
Energy: 1.2020465468421113
Energy: 1.3641530208809043
Energy: 1.5810181813624828
Energy: 1.405303476425016
Energy: 1.090684201780797
Energy: 1.405303476425669
Energy: 1.5810181813624828
Energy: 1.405303476425016
Energy: 1.5051061279405509
Energy: 1.393304823301455
Energy: 1.0733937802591589
Energy: 1.393304823301455
Energy: 1.5051061279405509
Energy: 1.393304823301455
Energy: 1.072247049539973
Energy: 1.1275720444237924
Energy: 1.0722173641900223
Energy: 1.1700314236944007
Energy: 1.072247049539973
Energy: 1.5767047150603697
Energy: 1.0733691463359074
Energy: 1.3932687726253306
Energy: 1.3932028781525392
Energy: 1.3932687726246775
Energy: 1.0733691463352542
Energy: 1.3932687726246775
Energy: 1.0913502014125034
Energy: 1.4052868517624135
Energy: 1.5810171768103884
Energy: 1.4052868517624135
Energy: 1.0913502014125034
Energy: 1.4052868517624135
Energy: 1.0898731487182987
Energy: 1.3642903794778365
Energy: 1.2020657496716964
Energy: 1.3642903794778365
Energy: 1.0898731487182987
Energy: 1.3642903794778365
Energy: 1.0815676162776586
Energy: 1.3315536168633455
Energy: 1.2022645076833383
Energy: 1.3830455811612818
Energy: 1.0815676162776586
Energy: 1.3315536168639985
Energy: 1.195078463647309
Energy: 1.6562121425668324
Energy: 1.0778203833232447
Energy: 1.6562121425674852
Energy: 1.195078463647309
Energy: 1.6562121425668324
Energy: 1.6279964620437366
Energy: 1.5390670720173636
Energy: 1.0871473592690302
Energy: 1.5390670720173636
Energy: 1.6279964620437366
Energy: 1.5390670720173636
Energy: 1.4003254560097376
Energy: 1.0764254990623814
Energy: 1.079635537946427
Energy: 1.0764254990623814
Energy: 1.4003254560097376
Energy: 1.0764254990630342
Energy: 1.0814832001731751
Energy: 1.1053693020032014
Energy: 1.0867609247772356
Energy: 1.1053693020018953
Energy: 1.0814832001731751
Energy: 1.1053693020032014
Energy: 1.1780978831491908
Energy: 1.0819323840243542
Energy: 1.2079794029410746
Energy: 1.0819323840243542
Energy: 1.1780978831511497
Energy: 1.0819323840237012
Energy: 1.0791305804485158
Energy: 1.1295176131977511
Energy: 1.3427495947310415
Energy: 1.1295176131977511
Energy: 1.0791305804491687
Energy: 1.1295176131977511
Energy: 1.0898688798508862
Energy: 1.0821807752864911
Energy: 1.2374969327605827
Energy: 1.0821807752858381
Energy: 1.0898688798508862
Energy: 1.0821807752838792
Energy: 1.0751566099669556
Energy: 1.0745743952220614
Energy: 1.3607292834368994
Energy: 1.0745743952220614
Energy: 1.0751566099669556
Energy: 1.0745743952220614
Energy: 1.426130143180623
Energy: 1.207079556141232
Energy: 1.078482895375704
Energy: 1.207079556141232
Energy: 1.426130143181276
Energy: 1.207079556141232
Energy: 1.2338318382896067
Energy: 1.088248124459031
Energy: 1.2027523232495423
Energy: 1.088248124459684
Energy: 1.2338318382896067
Energy: 1.0882481244603373
Energy: 1.3975507873916027
Energy: 1.1270428977513334
Energy: 1.075252245812028
Energy: 1.1270428977513334
Energy: 1.3975507873916027
Energy: 1.1270428977513334
Energy: 1.2038203875431146
Energy: 1.0761284704419831
Energy: 1.087406401746084
Energy: 1.0761284704426364
Energy: 1.2038203875431146
Energy: 1.0761284704419831
Energy: 1.3398792750322768
Energy: 1.1874571648255436
Energy: 1.0818727867085327
Energy: 1.1874571648255436
Energy: 1.3398792750322768
Energy: 1.1874571648255436
Energy: 1.0776181095288084
Energy: 1.089062035483872
Energy: 1.3772680979867462
Energy: 1.089062035483872
Energy: 1.0776181095288084
Energy: 1.089062035483872
Energy: 1.1631626816776361
Energy: 1.6611227100088577
Energy: 1.6673844775086917
Energy: 1.6611227100088577
Energy: 1.163162681680248
Energy: 1.6611227100088577
Energy: 1.0776203251519927
Energy: 1.0890321814361348
Energy: 1.3776392555355497
Energy: 1.0890321814361348
Energy: 1.0776203251519927
Energy: 1.0890321814361348
Energy: 1.3401149816645526
Energy: 1.1873864282187487
Energy: 1.0818577611549844
Energy: 1.1873864282187487
Energy: 1.3401149816638995
Energy: 1.1873864282187487
Energy: 1.2037920342275095
Energy: 1.0761378172040903
Energy: 1.087383853948572
Energy: 1.0761378172034375
Energy: 1.2037920342275095
Energy: 1.0761378172040903
Energy: 1.3977232665546515
Energy: 1.1270428977532922
Energy: 1.0752606230477026
Energy: 1.1270428977532922
Energy: 1.3977232665546515
Energy: 1.1270428977532922

minimum gb energy = 1.0722173641900223 eV
minimum distance =  2.24775760154792 Angstroms
sigma value = 57


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

Energy: 1.2599925501556775
Energy: 1.6475289857058846
Energy: 1.4396955065565504
Energy: 1.6475289857058846
Energy: 1.2599925501556775
Energy: 1.6475289857058846
Energy: 1.1666104410754548
Energy: 1.0515227994014291
Energy: 1.0526092421320465
Energy: 1.0515227994014291
Energy: 1.1666104410754548
Energy: 1.0515227994014291
Energy: 1.043206601909417
Energy: 1.2190239641906608
Energy: 1.3413486134064174
Energy: 1.2190239641906608
Energy: 1.043206601909417
Energy: 1.2190239641906608
Energy: 1.2988774026422203
Energy: 1.220915157481625
Energy: 1.22152885826359
Energy: 1.2209151574826882
Energy: 1.2988774026432832
Energy: 1.2209151574826882
Energy: 1.0477295666009903
Energy: 1.1106540525047766
Energy: 1.237410615859329
Energy: 1.1106540525047766
Energy: 1.0477295666020534
Energy: 1.1106540525047766
Energy: 1.2331951347732868
Energy: 1.220842787859615
Energy: 1.2216041314409105
Energy: 1.220842787859615
Energy: 1.2331951347732868
Energy: 1.220842787859615
Energy: 1.0477825280045103
Energy: 1.2204736605126283
Energy: 1.0545153530427889
Energy: 1.2204736605126283
Energy: 1.0477825280045103
Energy: 1.2204736605136914
Energy: 1.0429884476792124
Energy: 1.1163703564205703
Energy: 1.0527693489178231
Energy: 1.1163703564205703
Energy: 1.0429884476749594
Energy: 1.1163703564205703
Energy: 1.263713080646976
Energy: 1.4815519425220836
Energy: 1.0521027953416193
Energy: 1.4815519425220836
Energy: 1.2637130806459127
Energy: 1.4815519425220836
Energy: 1.1529837040038344
Energy: 1.0528066090115298
Energy: 1.0576943361330724
Energy: 1.0528066090115298
Energy: 1.1529837040038344
Energy: 1.0528066090104666
Energy: 1.047797496826304
Energy: 1.356831264509246
Energy: 1.205360838845188
Energy: 1.356831264509246
Energy: 1.047797496826304
Energy: 1.356831264509246
Energy: 1.1117938481522984
Energy: 1.2073870528805322
Energy: 1.2289313609498678
Energy: 1.2073870528805322
Energy: 1.1117938481533616
Energy: 1.2073870528805322
Energy: 1.050956458674536
Energy: 1.219943316661952
Energy: 1.205769507725592
Energy: 1.2199433166608888
Energy: 1.050956458674536
Energy: 1.2199433166608888
Energy: 1.2329697386963123
Energy: 1.3817378150262
Energy: 1.2290227471482837
Energy: 1.3817378150262
Energy: 1.2329697386963123
Energy: 1.3817378150262
Energy: 1.043437024723893
Energy: 1.2225398376317314
Energy: 1.050575649281725
Energy: 1.222539837630668
Energy: 1.043437024723893
Energy: 1.2225398376317314
Energy: 1.4393092697263805
Energy: 1.4629678671611128
Energy: 1.0579066728578128
Energy: 1.4629678671611128
Energy: 1.4393092697263805
Energy: 1.4629678671611128
Energy: 1.2592450985081536
Energy: 1.48178923212684
Energy: 1.051024611063629
Energy: 1.48178923212684
Energy: 1.2592450985081536
Energy: 1.48178923212684
Energy: 1.2331666949176998
Energy: 1.2219942863810687
Energy: 1.0508472525730992
Energy: 1.221994286382132
Energy: 1.2331666949176998
Energy: 1.2219942863810687
Energy: 1.0435332255199983
Energy: 1.3576164987880357
Energy: 1.2207289728365391
Energy: 1.3576164987880357
Energy: 1.0435332255199983
Energy: 1.3576164987880357
Energy: 1.2186219238975229
Energy: 1.2235318519293263
Energy: 1.2206361060424888
Energy: 1.2235318519293263
Energy: 1.2186219238985376
Energy: 1.2235318519282632
Energy: 1.043595851524965
Energy: 1.2200207415800375
Energy: 1.2206990379901863
Energy: 1.2200207415800375
Energy: 1.0435958515239014
Energy: 1.2200207415811006
Energy: 1.0433312465921827
Energy: 1.3565417485768618
Energy: 1.220667721862605
Energy: 1.3565417485757987
Energy: 1.0433312465921827
Energy: 1.3565417485747355
Energy: 1.0424101471950538
Energy: 1.2379855971850091
Energy: 1.0545159436739293
Energy: 1.2379855971850091
Energy: 1.0424101471950538
Energy: 1.2379855971850091
Energy: 1.2594583018579604
Energy: 1.482476267350166
Energy: 1.0507833051291782
Energy: 1.482476267350166
Energy: 1.259458301856897
Energy: 1.482476267350166
Energy: 1.259737736476241
Energy: 1.4832779126114408
Energy: 1.0521067055616082
Energy: 1.4832779126114408
Energy: 1.2597377364751778
Energy: 1.4832779126114408
Energy: 1.043145405319383
Energy: 1.2367353620217025
Energy: 1.0518242998492529
Energy: 1.2367353620217025
Energy: 1.043145405320446
Energy: 1.2367353620217025
Energy: 1.0428108334138229
Energy: 1.3571473336889177
Energy: 1.22052204301663
Energy: 1.3571473336889177
Energy: 1.0428108334138229
Energy: 1.3571473336878546

minimum gb energy = 1.0424101471950538 eV
minimum distance =  2.21389963495849 Angstroms
sigma value = 43


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

Energy: 1.3247551855321786
Energy: 1.131429250736434
Energy: 1.262695991659591
Energy: 1.131429250736434
Energy: 1.3247551855321786
Energy: 1.1314292507356596
Energy: 1.1780616335075214
Energy: 1.1186364599064806
Energy: 1.1034178976677853
Energy: 1.1186364599064806
Energy: 1.1780616335067466
Energy: 1.1186364599064806
Energy: 1.1024710224913763
Energy: 1.2526698301182642
Energy: 1.107620614281228
Energy: 1.2526698301182642
Energy: 1.1024710224913763
Energy: 1.2526698301182642
Energy: 1.3333904602040938
Energy: 1.1108531679535416
Energy: 1.2671865490086895
Energy: 1.1108531679543163
Energy: 1.3333904602048685
Energy: 1.1108531679535416
Energy: 1.0995889928849285
Energy: 1.174897248196179
Energy: 1.2311527887561167
Energy: 1.174897248196179
Energy: 1.0995889928849285
Energy: 1.1748972481969537
Energy: 1.2318296778443032
Energy: 1.2397260614064676
Energy: 1.1260091192035968
Energy: 1.2397260614064676
Energy: 1.2318296778443032
Energy: 1.2397260614064676
Energy: 1.1283358417818683
Energy: 1.2408174464335624
Energy: 1.1187531919480322
Energy: 1.2408174464335624
Energy: 1.1283358417826428
Energy: 1.2408174464343371
Energy: 1.2535376913802974
Energy: 1.1746418099309166
Energy: 1.0996993491752483
Energy: 1.1746418099309166
Energy: 1.253537691381072
Energy: 1.1746418099309166
Energy: 1.269074684897777
Energy: 1.1023394292593873
Energy: 1.2664137499214987
Energy: 1.102339429260162
Energy: 1.269074684897777
Energy: 1.1023394292593873
Energy: 1.3400490301860406
Energy: 1.252632798912148
Energy: 1.1022031226265356
Energy: 1.252632798912148
Energy: 1.3400490301860406
Energy: 1.252632798912148
Energy: 1.1049594390254458
Energy: 1.1783999857813023
Energy: 1.5009090514289474
Energy: 1.1783999857813023
Energy: 1.1049594390254458
Energy: 1.1783999857813023
Energy: 1.1184478366230963
Energy: 1.1247364651577643
Energy: 1.3240473113837783
Energy: 1.1247364651569896
Energy: 1.1184478366230963
Energy: 1.1247364651577643
Energy: 1.1023580462713738
Energy: 1.1206551318299518
Energy: 1.2527792174039054
Energy: 1.120655131829177
Energy: 1.1023580462713738
Energy: 1.1206551318299518
Energy: 1.2581996243564255
Energy: 1.1065417261332622
Energy: 1.102213324371888
Energy: 1.1065417261332622
Energy: 1.2581996243572002
Energy: 1.1065417261324877
Energy: 1.2658850465561642
Energy: 1.3063023019409716
Energy: 1.1101525420624665
Energy: 1.306302301940197
Energy: 1.2658850465561642
Energy: 1.306302301940197
Energy: 1.24002745214119
Energy: 1.2595422562687757
Energy: 1.0982994677918012
Energy: 1.2595422562687757
Energy: 1.2400274521404155
Energy: 1.2595422562687757
Energy: 1.1249447722672978
Energy: 1.1252133525666284
Energy: 1.2397198969939711
Energy: 1.125213352567403
Energy: 1.1249447722672978
Energy: 1.125213352567403
Energy: 1.1243865866208316
Energy: 1.2480441252350152
Energy: 1.1248689367839766
Energy: 1.2480441252350152
Energy: 1.1243865866208316
Energy: 1.2480441252350152
Energy: 1.1140733720184222
Energy: 1.1188184144052324
Energy: 1.265919696152232
Energy: 1.1188184144052324
Energy: 1.1140733720184222
Energy: 1.118818414404458
Energy: 1.101897026429446
Energy: 1.2729211819938524
Energy: 1.266061021613414
Energy: 1.2729211819938524
Energy: 1.1018970264302208
Energy: 1.2729211819938524
Energy: 1.1021322571488659
Energy: 1.2681408376144343
Energy: 1.1179450819354717
Energy: 1.2681408376144343
Energy: 1.1021322571488659
Energy: 1.2681408376144343
Energy: 1.4901995794692837
Energy: 1.1094355223840957
Energy: 1.1025674571602537
Energy: 1.1094355223840957
Energy: 1.4901995794692837
Energy: 1.1094355223840957
Energy: 1.7631653504818359
Energy: 1.4121693139774993
Energy: 1.117955605671368
Energy: 1.4121693139774993
Energy: 1.7631653504818359
Energy: 1.4121693139782738
Energy: 1.1018384091684508
Energy: 1.2658973725091727
Energy: 1.1179301060356643
Energy: 1.2658973725099476
Energy: 1.1018384091676763
Energy: 1.2658973725091727
Energy: 1.1022051805061093
Energy: 1.4323439500343358
Energy: 1.2663493016677185
Energy: 1.4323439500351107
Energy: 1.1022051805061093
Energy: 1.4323439500351107
Energy: 1.114054744491707
Energy: 1.4729026523859965
Energy: 1.2661020303519666
Energy: 1.4729026523859965
Energy: 1.114054744491707
Energy: 1.4729026523859965
Energy: 1.123621211408829
Energy: 1.2604874826069563
Energy: 1.2465506471746601
Energy: 1.260487482607731
Energy: 1.123621211408829
Energy: 1.260487482607731
Energy: 1.2467001673344524
Energy: 1.2480172703210555
Energy: 1.2466885479915533
Energy: 1.2480172703210555
Energy: 1.2467001673344524
Energy: 1.2480172703218302
Energy: 1.2465628362080532
Energy: 1.2561050278623038
Energy: 1.1061440965502585
Energy: 1.2561050278623038
Energy: 1.2465628362080532
Energy: 1.2561050278623038
Energy: 1.2662150744355378
Energy: 1.472755370789307
Energy: 1.1140136149606468
Energy: 1.472755370789307
Energy: 1.2662150744355378
Energy: 1.472755370789307
Energy: 1.266430415278108
Energy: 1.4324556826415595
Energy: 1.1021842785715057
Energy: 1.4324556826415595
Energy: 1.2664304152788826
Energy: 1.4324556826415595
Energy: 1.1179524910688563
Energy: 1.2659226839208602
Energy: 1.1018288026790466
Energy: 1.2659226839208602
Energy: 1.117952491069631
Energy: 1.2659226839208602
Energy: 1.1179686367934407
Energy: 1.4121580685605915
Energy: 1.538783210863718
Energy: 1.4121580685605915
Energy: 1.1179686367942152
Energy: 1.4121580685605915
Energy: 1.1025727917627102
Energy: 1.1093034282535994
Energy: 1.4905056086863275
Energy: 1.1093034282535994
Energy: 1.1025727917627102
Energy: 1.1093034282535994
Energy: 1.1179342037488929
Energy: 1.2682958332113894
Energy: 1.1021260950353724
Energy: 1.2682958332106147
Energy: 1.1179342037488929
Energy: 1.2682958332113894
Energy: 1.2659496512048685
Energy: 1.2729000277411506
Energy: 1.1019003703995334
Energy: 1.2729000277411506
Energy: 1.2659496512048685
Energy: 1.2729000277419251

minimum gb energy = 1.0982994677918012 eV
minimum distance =  2.26066062683677 Angstroms
sigma value = 81


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

Energy: 1.1627373111099815
Energy: 1.1632054074723952
Energy: 1.7428990084468285
Energy: 1.1632054074721367
Energy: 1.1627373111099815
Energy: 1.1632054074721367
Energy: 1.1629686066793343
Energy: 1.1633091519901197
Energy: 1.162773159682252
Energy: 1.1633091519901197
Energy: 1.1629686066793343
Energy: 1.1633091519901197
Energy: 1.162770462123194
Energy: 1.1632438208241298
Energy: 1.1635147434618573
Energy: 1.1632438208241298
Energy: 1.162770462123194
Energy: 1.1632438208241298
Energy: 1.3249892582961418
Energy: 1.1632054074723952
Energy: 1.1627373111099815
Energy: 1.1632054074723952
Energy: 1.3249892582966918
Energy: 1.1632054074723952
Energy: 1.162773159682252
Energy: 1.1633091519898286
Energy: 1.1629686066793343
Energy: 1.1633091519898286
Energy: 1.162773159682252
Energy: 1.1633091519901197
Energy: 1.1635147434618573
Energy: 1.1632438208241298
Energy: 1.162770462123194
Energy: 1.1632438208241298
Energy: 1.1635147434621484
Energy: 1.1632438208241298
Energy: 1.1627373111102728
Energy: 1.1632054074721367
Energy: 1.3249892582966918
Energy: 1.1632054074721367
Energy: 1.1627373111099815
Energy: 1.1632054074721367
Energy: 1.1629686066793343
Energy: 1.1633091519898286
Energy: 1.1627731596825108
Energy: 1.1633091519898286
Energy: 1.1629686066793343
Energy: 1.1633091519898286
Energy: 1.162770462123194
Energy: 1.1632438208241298
Energy: 1.1635147434618573
Energy: 1.1632438208238385
Energy: 1.162770462123194
Energy: 1.1632438208241298
Energy: 1.3249892582964329
Energy: 1.1632054074721367
Energy: 1.1627373111091408
Energy: 1.1632054074721367
Energy: 1.3249892582964329
Energy: 1.1632054074723952

minimum gb energy = 1.1627373111091408 eV
minimum distance =  2.2262150026249 Angstroms
sigma value = 3


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

Energy: 1.578441388529578
Energy: 1.1491006238404808
Energy: 1.1265313771789731
Energy: 1.1491006238413328
Energy: 1.578441388529578
Energy: 1.1491006238404808
Energy: 1.2754871390787224
Energy: 1.1098818412630542
Energy: 1.060398818543422
Energy: 1.1098818412630542
Energy: 1.2754871391264222
Energy: 1.1098818412630542
Energy: 1.0811187678555076
Energy: 1.0808092252872787
Energy: 1.1662163145154743
Energy: 1.0808092252872787
Energy: 1.0811187678555076
Energy: 1.0808092252872787
Energy: 1.6095234480909715
Energy: 1.3699271118358727
Energy: 1.1141686282786132
Energy: 1.3699271118358727
Energy: 1.6095234480918232
Energy: 1.3699271118350211
Energy: 1.0891541055954184
Energy: 1.0858776326134236
Energy: 1.0565947912808742
Energy: 1.0858776326134236
Energy: 1.0891541055954184
Energy: 1.0858776326134236
Energy: 1.2794019570723472
Energy: 1.1545968669003208
Energy: 1.0622889901479615
Energy: 1.1545968669011726
Energy: 1.2794019570731603
Energy: 1.1545968669003208
Energy: 1.0892002053624223
Energy: 1.086157374962988
Energy: 1.102587618634349
Energy: 1.086157374962988
Energy: 1.0892002053624223
Energy: 1.086157374962988
Energy: 1.0736880747143671
Energy: 1.37144694718283
Energy: 1.1120469624935716
Energy: 1.37144694718283
Energy: 1.0736880747152193
Energy: 1.37144694718283
Energy: 1.081047773781369
Energy: 1.0800926849470824
Energy: 1.4635205923725012
Energy: 1.0800926849470824
Energy: 1.081047773782221
Energy: 1.0800926849470824
Energy: 1.0810121626130493
Energy: 1.1101389633029748
Energy: 1.0588130595969356
Energy: 1.1101389633021232
Energy: 1.0810121626121973
Energy: 1.1101389633029748
Energy: 1.458638628276782
Energy: 1.0586777777331198
Energy: 1.1012419931545676
Energy: 1.0586777777331198
Energy: 1.458638628276782
Energy: 1.0586777777331198
Energy: 1.455955480991015
Energy: 1.1989138327392832
Energy: 1.0588514965067397
Energy: 1.1989138327392832
Energy: 1.455955480991015
Energy: 1.1989138327392832
Energy: 1.0811669157576227
Energy: 1.1812475169019856
Energy: 1.0587388972930525
Energy: 1.1812475169019856
Energy: 1.0811669157576227
Energy: 1.1812475169019856
Energy: 1.079823125188817
Energy: 1.216033528101137
Energy: 1.1121762931418644
Energy: 1.216033528101137
Energy: 1.0798231251896686
Energy: 1.216033528101137
Energy: 1.0855102013883438
Energy: 1.2053006431624789
Energy: 1.1123045640973956
Energy: 1.2053006431633309
Energy: 1.0855102013883438
Energy: 1.2053006431633309
Energy: 1.085834622683348
Energy: 1.1099942615206355
Energy: 1.0604703340244106
Energy: 1.1099942615206355
Energy: 1.085834622683348
Energy: 1.1099942615206355
Energy: 1.0856169212754436
Energy: 1.105706067631987
Energy: 1.0606053181386146
Energy: 1.105706067632839
Energy: 1.0856169212762956
Energy: 1.105706067631987
Energy: 1.0856618141670187
Energy: 1.234951930236599
Energy: 1.1120750217099815
Energy: 1.234951930236599
Energy: 1.0856618141670187
Energy: 1.234951930236599
Energy: 1.0807028322770973
Energy: 1.2150269235188493
Energy: 1.1121010896001904
Energy: 1.2150269235179976
Energy: 1.0807028322770973
Energy: 1.2150269235179976
Energy: 1.0809571680201004
Energy: 1.1102369325574766
Energy: 1.0587124421062037
Energy: 1.1102369325574766
Energy: 1.0809571680201004
Energy: 1.1102369325574766
Energy: 1.458568008458341
Energy: 1.1988047854181714
Energy: 1.05872422147656
Energy: 1.1988047854181714
Energy: 1.458568008458341
Energy: 1.1988047854173198
Energy: 1.4580325060466073
Energy: 1.0578467640084142
Energy: 1.101949804620648
Energy: 1.0578467640084142
Energy: 1.4580325060466073
Energy: 1.0578467640084142
Energy: 1.0808020602540114
Energy: 1.1101474787784178
Energy: 1.0587812420085554
Energy: 1.1101474787792696
Energy: 1.0808020602540114
Energy: 1.1101474787784178
Energy: 1.0810001965294675
Energy: 1.079905823692952
Energy: 1.4633133334871053
Energy: 1.079905823692952
Energy: 1.0810001965294675
Energy: 1.079905823693804
Energy: 1.0770827578935995
Energy: 1.2354473631324527
Energy: 1.1120261635005368
Energy: 1.2354473631333043
Energy: 1.077082757895303
Energy: 1.2354473631324527
Energy: 1.0854264923675594
Energy: 1.1058977878181202
Energy: 1.156162935308874
Energy: 1.1058977878181202
Energy: 1.0854264923675594
Energy: 1.1058977878181202
Energy: 1.0748773128020421
Energy: 1.1100747822143568
Energy: 1.0605608312021477
Energy: 1.1100747822143568
Energy: 1.0748773128020421
Energy: 1.1100747822143568
Energy: 1.0853546204302449
Energy: 1.2047745145471358
Energy: 1.0565324669016705
Energy: 1.2047745145462843
Energy: 1.0853546204310969
Energy: 1.2047745145462843
Energy: 1.1822575280349539
Energy: 1.3703096953558147
Energy: 1.1121281586723162
Energy: 1.3703096953558147
Energy: 1.1822575280349539
Energy: 1.3703096953558147
Energy: 1.0818377834015442
Energy: 1.0809117829153827
Energy: 1.269060773993754
Energy: 1.0809117829153827
Energy: 1.0818377834015442
Energy: 1.0809117829153827
Energy: 1.2810021028066225
Energy: 1.1099958600756918
Energy: 1.0589034786517546
Energy: 1.1099958600756918
Energy: 1.281002102803216
Energy: 1.1099958600756918
Energy: 1.455801217121409
Energy: 1.20277415685731
Energy: 1.101128702029787
Energy: 1.202774156856458
Energy: 1.4558012171180017
Energy: 1.202774156856458
Energy: 1.2604665459317568
Energy: 1.1107712278017754
Energy: 1.0594063481746143
Energy: 1.1107712278017754
Energy: 1.2604665459283495
Energy: 1.1107712278009239

minimum gb energy = 1.0565324669016705 eV
minimum distance =  2.22980213584258 Angstroms
sigma value = 67


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

Energy: 1.0609366858942322
Energy: 1.066623222613981
Energy: 1.0562192321956658
Energy: 1.0666232226151946
Energy: 1.0609366858942322
Energy: 1.0666232226151946
Energy: 1.2615412610401116
Energy: 1.017887974914629
Energy: 1.008537748266261
Energy: 1.0178879749158425
Energy: 1.2615412610401116
Energy: 1.017887974914629
Energy: 1.0219778099785355
Energy: 1.1103993459097452
Energy: 1.2623034501683374
Energy: 1.1103993459097452
Energy: 1.0219778099785355
Energy: 1.110399345910959
Energy: 1.5860964620766904
Energy: 1.3566333230771654
Energy: 1.0042388783108256
Energy: 1.3566333230759517
Energy: 1.5860964620766904
Energy: 1.3566333230771654
Energy: 1.007843335481262
Energy: 1.3569655499813666
Energy: 1.5778832300767613
Energy: 1.3569655499813666
Energy: 1.007843335481262
Energy: 1.3569655499825806
Energy: 1.0022055953495064
Energy: 1.0190384783028121
Energy: 1.008672050278865
Energy: 1.0190384783028121
Energy: 1.0022055953495064
Energy: 1.0190384783028121
Energy: 1.021128349792302
Energy: 1.0183291944324397
Energy: 1.0222597497053378
Energy: 1.0183291944324397
Energy: 1.021128349792302
Energy: 1.0183291944324397
Energy: 1.0178058601940811
Energy: 1.3214085093385508
Energy: 1.6191045230775396
Energy: 1.3214085093373371
Energy: 1.0178058601940811
Energy: 1.3214085093373371
Energy: 1.0180054574375133
Energy: 1.091754904702941
Energy: 1.4939569952465919
Energy: 1.091754904702941
Energy: 1.0180054574375133
Energy: 1.091754904702941
Energy: 1.0182287973899666
Energy: 1.0206517081360276
Energy: 1.0248201941044526
Energy: 1.0206517081372413
Energy: 1.0182287973899666
Energy: 1.0206517081360276
Energy: 1.0015805174757486
Energy: 1.0207562207912197
Energy: 1.0184043318248495
Energy: 1.0207562207912197
Energy: 1.0015805174757486
Energy: 1.0207562207924334
Energy: 1.00175957597263
Energy: 1.1017827430712845
Energy: 1.0017710303379441
Energy: 1.1017827430700708
Energy: 1.00175957597263
Energy: 1.1017827430712845
Energy: 1.0184636240867755
Energy: 1.0197923366119674
Energy: 1.0017513756025007
Energy: 1.0197923366119674
Energy: 1.0184636240855618
Energy: 1.0197923366119674
Energy: 1.0248220926883713
Energy: 1.020848218962916
Energy: 1.0182271195534673
Energy: 1.0208482189641295
Energy: 1.0248220926883713
Energy: 1.0208482189641295
Energy: 1.4937605846623843
Energy: 1.0917366889490958
Energy: 1.0180576526975542
Energy: 1.0917366889490958
Energy: 1.4937605846611708
Energy: 1.0917366889490958
Energy: 1.6187894174926347
Energy: 1.3214251825853058
Energy: 1.0177905193535406
Energy: 1.3214251825853058
Energy: 1.6187894174926347
Energy: 1.3214251825853058
Energy: 1.0223807960476148
Energy: 1.0183315829049875
Energy: 1.00283158713914
Energy: 1.0183315829062012
Energy: 1.022380796050042
Energy: 1.0183315829049875
Energy: 1.0086943364604135
Energy: 1.0190018727685324
Energy: 1.0024089662390225
Energy: 1.0190018727685324
Energy: 1.0086943364604135
Energy: 1.0190018727685324
Energy: 1.5778807266642438
Energy: 1.3568542471338016
Energy: 1.007811725265354
Energy: 1.356854247132588
Energy: 1.5778807266654575
Energy: 1.3568542471338016
Energy: 1.0042517653918428
Energy: 1.356464952679298
Energy: 1.5860192413520355
Energy: 1.3564649526780843
Energy: 1.0042517653906293
Energy: 1.3564649526780843
Energy: 1.2624827951751598
Energy: 1.1103993459085315
Energy: 1.002657991143823
Energy: 1.1103993459085315
Energy: 1.2624827951751598
Energy: 1.1103993459085315
Energy: 1.0082615874548502
Energy: 1.017932766141168
Energy: 1.2614245500874073
Energy: 1.017932766141168
Energy: 1.0082615874548502
Energy: 1.017932766141168
Energy: 1.3568447008216153
Energy: 1.066623222613981
Energy: 1.0609366858942322
Energy: 1.0666232226151946
Energy: 1.3568447008204017
Energy: 1.0666232226151946

minimum gb energy = 1.0015805174757486 eV
minimum distance =  2.26173061108624 Angstroms
sigma value = 33


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

Energy: 1.3431264712468431
Energy: 0.9710375497971114
Energy: 1.532331155384982
Energy: 0.9710375497971114
Energy: 1.343126471246073
Energy: 0.9710375497971114
Energy: 1.459431980434629
Energy: 0.9512621325707544
Energy: 0.925357088937148
Energy: 0.9512621325707544
Energy: 1.459431980434629
Energy: 0.9512621325707544
Energy: 0.9334234577340556
Energy: 1.0166482852134315
Energy: 1.4515167860366285
Energy: 1.0166482852134315
Energy: 0.9334234577340556
Energy: 1.0166482852142016
Energy: 1.0228378478411206
Energy: 1.1000930225429044
Energy: 0.9342350716430012
Energy: 1.1000930225429044
Energy: 1.0228378478418905
Energy: 1.1000930225429044
Energy: 1.2790660873544324
Energy: 0.9424114640398484
Energy: 1.2882925469158664
Energy: 0.9424114639636593
Energy: 1.2790660873536626
Energy: 0.9424114640752657
Energy: 1.2839210007474495
Energy: 1.153262089131515
Energy: 0.9300719505631412
Energy: 1.153262089131515
Energy: 1.2839210007474495
Energy: 1.153262089131515
Energy: 0.9340998318525962
Energy: 0.9526545130208621
Energy: 0.9505247079174406
Energy: 0.9526545130208621
Energy: 0.9340998318525962
Energy: 0.9526545130208621
Energy: 0.9503121909706926
Energy: 0.9251117989355556
Energy: 1.2853339964727033
Energy: 0.9251117989355556
Energy: 0.9503121909706926
Energy: 0.9251117989347859
Energy: 1.2892586426973642
Energy: 1.1976693610176987
Energy: 1.2823770241785855
Energy: 1.1976693610176987
Energy: 1.2892586426973642
Energy: 1.1976693610176987
Energy: 0.9328637776301104
Energy: 0.9535438786006178
Energy: 0.9302948303381731
Energy: 1.0981890097081735
Energy: 0.9328637776301104
Energy: 0.9535438786006178
Energy: 0.9215973562224465
Energy: 1.0575423707362421
Energy: 0.957397569357149
Energy: 1.0575423707362421
Energy: 0.9215973562224465
Energy: 1.057542370737012
Energy: 0.9241986651288697
Energy: 1.023870126629564
Energy: 1.4830314422482236
Energy: 1.023870126629564
Energy: 0.9241986651288697
Energy: 1.023870126629564
Energy: 1.3352693469314092
Energy: 0.950757173713591
Energy: 1.3060633224730003
Energy: 0.950757173714361
Energy: 1.3352693469314092
Energy: 0.9507571737128212
Energy: 0.9256634724233775
Energy: 1.1238490363185478
Energy: 0.9398580525731949
Energy: 1.1238490363177782
Energy: 0.9256634724233775
Energy: 1.1238490363177782
Energy: 1.288340480510275
Energy: 1.0189792360541725
Energy: 0.9290930770262199
Energy: 1.0189792360541725
Energy: 1.288340480510275
Energy: 1.0189792360541725
Energy: 0.9346002636658949
Energy: 0.9260639523770029
Energy: 1.4814315812240104
Energy: 0.9260639523777727
Energy: 0.9346002636658949
Energy: 0.9260639523770029
Energy: 1.5320197496528591
Energy: 0.9632260937783185
Energy: 1.3147120634255434
Energy: 0.9632260937783185
Energy: 1.5320197496528591
Energy: 0.9632260937783185
Energy: 0.9299579390256071
Energy: 0.9504955025387156
Energy: 1.2134470295010271
Energy: 0.9504955025387156
Energy: 0.9299579390256071
Energy: 0.9504955025387156
Energy: 1.1978211270059824
Energy: 0.9499588621901065
Energy: 0.9290224407865639
Energy: 0.9499588621901065
Energy: 1.1978211270059824
Energy: 0.9499588621901065
Energy: 1.2786968595725197
Energy: 0.9443143207873773
Energy: 0.9537270985169939
Energy: 0.9443143207881474
Energy: 1.2786968595725197
Energy: 0.9443143207889173
Energy: 1.4467015615831027
Energy: 1.1844556513985605
Energy: 0.9312864179276819
Energy: 1.1844556513993305
Energy: 1.4467015615838723
Energy: 1.1844556513993305
Energy: 0.9305552313794321
Energy: 0.9513256870977651
Energy: 1.2909688452016135
Energy: 0.9513256870977651
Energy: 0.9305552313794321
Energy: 0.9513256870977651
Energy: 0.9549352621534704
Energy: 0.9554148706827224
Energy: 0.9294164961542122
Energy: 0.9554148706834923
Energy: 0.9549352621542403
Energy: 0.9554148706834923
Energy: 1.3066551697558662
Energy: 1.1907481829634132
Energy: 0.921653253255352
Energy: 1.1907481829634132
Energy: 1.3066551697558662
Energy: 1.1907481829634132
Energy: 1.532812831797288
Energy: 1.0228809833405377
Energy: 0.9214578632926022
Energy: 1.0228809833405377
Energy: 1.5328128317965182
Energy: 1.0228809833405377
Energy: 0.9596817145735701
Energy: 1.1822669391607994
Energy: 0.92495477614853
Energy: 1.1822669391607994
Energy: 0.9596817145728
Energy: 1.1822669391615692
Energy: 0.9283279219383255
Energy: 0.9530271065936194
Energy: 1.2898382180242425
Energy: 0.9530271065936194
Energy: 0.9283279219383255
Energy: 0.9530271065936194
Energy: 1.2834492131968789
Energy: 1.1904089287528286
Energy: 0.9323809465694834
Energy: 1.1904089287520587
Energy: 1.2834492131968789
Energy: 1.1904089287528286
Energy: 1.279186743707428
Energy: 0.9255954327341771
Energy: 0.9511553495231635
Energy: 0.9255954327326372
Energy: 1.279186743707428
Energy: 0.925595432734947
Energy: 0.9508206420569753
Energy: 0.9505475740888059
Energy: 0.9304204734069506
Energy: 0.9505475740880359
Energy: 0.9508206420562053
Energy: 0.9505475740888059
Energy: 0.9333876915301419
Energy: 1.154070159623697
Energy: 1.446526703981849
Energy: 1.1540701596229272
Energy: 0.9333876915301419
Energy: 1.1540701596229272
Energy: 1.258595968360569
Energy: 0.9626618358161808
Energy: 1.2785944856137006
Energy: 0.9626618358154108
Energy: 1.258595968360569
Energy: 0.9626618358161808
Energy: 0.9330924393245148
Energy: 1.1208195641111347
Energy: 1.3394161430518443
Energy: 1.1208195641103647
Energy: 0.9330924393245148
Energy: 1.1208195641111347
Energy: 1.4521464009677085
Energy: 1.0171566885714876
Energy: 0.9299037891689582
Energy: 1.0171566885707175
Energy: 1.4521464009677085
Energy: 1.0171566885714876
Energy: 0.924478551498046
Energy: 0.9518201851820198
Energy: 1.3575296781030075
Energy: 0.9518201851835597
Energy: 0.924478551498046
Energy: 0.9518201851827898
Energy: 1.3047744137480748
Energy: 0.9709547564411667
Energy: 1.3055960231168595
Energy: 0.9709547564419366
Energy: 1.3047744137488448
Energy: 0.9709547564411667
Energy: 0.9289027945733297
Energy: 1.1204041049298896
Energy: 1.4329370569115434
Energy: 1.1204041049291198
Energy: 0.9289027945740995
Energy: 1.1204041049283495

minimum gb energy = 0.9214578632926022 eV
minimum distance =  2.19846448838415 Angstroms
sigma value = 41


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

Energy: 0.7527719101709889
Energy: 0.7582294206206771
Energy: 1.4846979526153516
Energy: 0.7582294206206771
Energy: 0.7527719101709889
Energy: 0.7582294206206771
Energy: 1.557442058247352
Energy: 0.758153363671201
Energy: 0.7623959143497896
Energy: 0.758153363671201
Energy: 1.557442058247352
Energy: 0.758153363671201
Energy: 0.7505703990014221
Energy: 1.0188522193805136
Energy: 0.983678872873517
Energy: 1.0188522193805136
Energy: 0.7505703990014221
Energy: 1.0188522193805136
Energy: 1.5504176220054873
Energy: 0.7582414373480588
Energy: 0.7630017966567764
Energy: 0.7582414373480588
Energy: 1.5504176220054873
Energy: 0.7582414373480588
Energy: 0.7494198608820931
Energy: 1.1919121218403788
Energy: 0.7651494647044381
Energy: 1.191912121842481
Energy: 0.7494198608820931
Energy: 1.191912121842481
Energy: 0.7495173298956429
Energy: 0.7946049253579511
Energy: 0.7636822727025915
Energy: 0.7946049253579511
Energy: 0.7495173298956429
Energy: 0.7946049253579511
Energy: 1.5397121588569371
Energy: 0.7586692610391882
Energy: 0.7638142922667804
Energy: 0.7586692610391882
Energy: 1.5397121588569371
Energy: 0.7586692610391882
Energy: 0.7501733994453084
Energy: 0.758174821828038
Energy: 0.7651975083657511
Energy: 0.758174821828038
Energy: 0.7501733994453084
Energy: 0.758174821828038
Energy: 1.4796207734598295
Energy: 0.7947412753411353
Energy: 0.7628147556671143
Energy: 0.7947412753411353
Energy: 1.4796207734619315
Energy: 0.7947412753411353
Energy: 0.7530137555280999
Energy: 0.7584464356595481
Energy: 0.7608478833558613
Energy: 0.7584464356595481
Energy: 0.7530137555280999
Energy: 0.7584464356595481
Energy: 1.4864987457768797
Energy: 0.7582327589037995
Energy: 0.7625017205705564
Energy: 0.7582327589037995
Energy: 1.4864987457768797
Energy: 0.7582327589037995
Energy: 0.7523180211918375
Energy: 1.0186674991130877
Energy: 1.4065191398072985
Energy: 1.0186674991130877
Energy: 0.7523180211918375
Energy: 1.0186674991130877
Energy: 1.4864890488723859
Energy: 0.7582911351133993
Energy: 0.7624921627849358
Energy: 0.7582911351133993
Energy: 1.4864890488723859
Energy: 0.7582911351133993
Energy: 0.7529705559085321
Energy: 0.7585562378870189
Energy: 0.7608509102016723
Energy: 0.7585562378870189
Energy: 0.7529705559064299
Energy: 0.7585562378870189

minimum gb energy = 0.7494198608820931 eV
minimum distance =  2.37434276450111 Angstroms
sigma value = 11


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

Energy: 1.583392979586886
Energy: 1.0905185843501335
Energy: 1.502052535367306
Energy: 1.090518584351057
Energy: 1.583392979586886
Energy: 1.0905185843501335
Energy: 1.0737948491624558
Energy: 1.1070537507647165
Energy: 1.0739906910297334
Energy: 1.1070537507647165
Energy: 1.0737948491633793
Energy: 1.1070537507647165
Energy: 1.0748255795448205
Energy: 1.2020828330734334
Energy: 1.0741791784914785
Energy: 1.20208283307251
Energy: 1.074825579543897
Energy: 1.20208283307251
Energy: 1.1066426423765077
Energy: 1.1072648510415042
Energy: 1.073571872850509
Energy: 1.1072648510415042
Energy: 1.1066426423755844
Energy: 1.1072648510415042
Energy: 1.073990298607933
Energy: 1.1908835204750277
Energy: 1.1096467150743912
Energy: 1.1908835204750277
Energy: 1.0739902986070093
Energy: 1.1908835204750277
Energy: 1.0973330433828243
Energy: 1.1746663828202082
Energy: 1.0738424931629003
Energy: 1.1746663828202082
Energy: 1.0973330433828243
Energy: 1.1746663828202082
Energy: 1.106780333907777
Energy: 1.190169624951905
Energy: 1.0960145547815003
Energy: 1.190169624951905
Energy: 1.106780333907777
Energy: 1.1901696249528286
Energy: 1.0752150907243605
Energy: 1.1087000071593454
Energy: 1.073591063689688
Energy: 1.1087000071593454
Energy: 1.0752150907243605
Energy: 1.1087000071593454
Energy: 1.075197622484421
Energy: 1.1991379114390184
Energy: 1.0733855455257484
Energy: 1.1991379114390184
Energy: 1.075197622484421
Energy: 1.1991379114390184
Energy: 1.073964861763008
Energy: 1.1073041670370507
Energy: 1.1078774331836259
Energy: 1.1073041670370507
Energy: 1.073964861763008
Energy: 1.1073041670370507
Energy: 1.1071241181448048
Energy: 1.0786200458581723
Energy: 1.0972970026781688
Energy: 1.0786200458581723
Energy: 1.1071241181448048
Energy: 1.0786200458581723
Energy: 1.0756119053883066
Energy: 1.1759262877781969
Energy: 1.097130571118705
Energy: 1.1759262877791203
Energy: 1.0756119053883066
Energy: 1.1759262877781969
Energy: 1.0741329248193794
Energy: 1.3981817416334092
Energy: 1.1464635295271934
Energy: 1.3981817416334092
Energy: 1.0741329248193794
Energy: 1.3981817416334092
Energy: 1.1083172266386372
Energy: 1.1989339200441753
Energy: 1.1082430367445486
Energy: 1.1989339200450988
Energy: 1.108317226637714
Energy: 1.1989339200450988
Energy: 1.0733551115411673
Energy: 1.295528867176722
Energy: 1.0737464800843937
Energy: 1.295528867176722
Energy: 1.0733551115411673
Energy: 1.295528867176722
Energy: 1.1069266309777268
Energy: 1.0735397031452396
Energy: 1.0978035034045712
Energy: 1.073539703146163
Energy: 1.1069266309823445
Energy: 1.0735397031452396
Energy: 1.0960475297145036
Energy: 1.6088124139609112
Energy: 1.0751681520007885
Energy: 1.6088124139609112
Energy: 1.096047529715427
Energy: 1.6088124139609112
Energy: 1.0738109619014877
Energy: 1.29664733819227
Energy: 1.0737931721868648
Energy: 1.2966473381913466
Energy: 1.0738109619005642
Energy: 1.2966473381913466
Energy: 1.107381734120615
Energy: 1.107141932226381
Energy: 1.1082042778722538
Energy: 1.107141932226381
Energy: 1.107381734120615
Energy: 1.107141932226381
Energy: 1.0738237462980351
Energy: 1.4008799278213184
Energy: 1.0747209357878535
Energy: 1.4008799278213184
Energy: 1.0738237462980351
Energy: 1.4008799278213184
Energy: 1.0969060000932593
Energy: 1.1758206713080062
Energy: 1.0751331079638928
Energy: 1.1758206713080062
Energy: 1.0969060000932593
Energy: 1.1758206713080062
Energy: 1.0972430035060918
Energy: 1.0787544306071204
Energy: 1.1083232180534857
Energy: 1.0787544306071204
Energy: 1.0972430035060918
Energy: 1.0787544306071204
Energy: 1.2273170072026915
Energy: 1.1071876315444287
Energy: 1.1300503912634257
Energy: 1.1071876315444287
Energy: 1.2273170072026915
Energy: 1.1071876315444287
Energy: 1.0733707979706433
Energy: 1.1987140052688243
Energy: 1.0744285729202576
Energy: 1.1987140052688243
Energy: 1.0733707979706433
Energy: 1.1987140052688243
Energy: 1.0762376299875276
Energy: 1.1083663003787863
Energy: 1.0746962178812123
Energy: 1.1083663003787863
Energy: 1.0762376299875276
Energy: 1.1083663003787863
Energy: 1.0957220223497033
Energy: 1.190705740691575
Energy: 1.1066674737680866
Energy: 1.1907057406906516
Energy: 1.0957220223497033
Energy: 1.190705740691575
Energy: 1.073836716586952
Energy: 1.17474142153585
Energy: 1.0740549035883453
Energy: 1.17474142153585
Energy: 1.073836716586952
Energy: 1.1747414215349266
Energy: 1.10665926656624
Energy: 1.1906935243123582
Energy: 1.0975179726974638
Energy: 1.1906935243132815
Energy: 1.10665926656624
Energy: 1.1906935243123582
Energy: 1.0742994244515458
Energy: 1.1076087850398675
Energy: 1.1067310140708118
Energy: 1.107608785040791
Energy: 1.0742994244515458
Energy: 1.1076087850398675
Energy: 1.0738984142406307
Energy: 1.1074870547839017
Energy: 1.075661650318206
Energy: 1.1074870547839017
Energy: 1.0738984142406307
Energy: 1.1074870547839017
Energy: 1.0734740464101036
Energy: 1.1071051821584346
Energy: 1.0739166161482903
Energy: 1.1071051821584346
Energy: 1.0734740464101036
Energy: 1.1071051821584346

minimum gb energy = 1.0733551115411673 eV
minimum distance =  2.2193388133799 Angstroms
sigma value = 57


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

Energy: 1.3017182228388366
Energy: 1.25631956594387
Energy: 1.4808631161894323
Energy: 1.25631956594387
Energy: 1.3017182228388366
Energy: 1.25631956594387
Energy: 1.1975410390331651
Energy: 1.3186891765070523
Energy: 1.1895064381159286
Energy: 1.2628401041865431
Energy: 1.1975410390331651
Energy: 1.1903486997114892
Energy: 1.1899605204084513
Energy: 1.2967643516526566
Energy: 1.1897573728342774
Energy: 1.2967643516526566
Energy: 1.1899605204084513
Energy: 1.2967643516526566
Energy: 1.1897395375820705
Energy: 1.339896598039563
Energy: 1.1897299312036356
Energy: 1.2659406188906501
Energy: 1.1897395375820705
Energy: 1.265879599193354
Energy: 1.1896273277873008
Energy: 1.2968231346364893
Energy: 1.190023034587518
Energy: 1.2968231346364893
Energy: 1.1896273277873008
Energy: 1.2968231346364893
Energy: 1.1895165428109713
Energy: 1.19035328540458
Energy: 1.1975498998667016
Energy: 1.19035328540458
Energy: 1.1895165428109713
Energy: 1.19035328540458
Energy: 1.4808631161894323
Energy: 1.25631956594387
Energy: 1.3017182228388366
Energy: 1.25631956594387
Energy: 1.4808631161894323
Energy: 1.25631956594387
Energy: 1.1895064381159286
Energy: 1.3186891765070523
Energy: 1.1975410390331651
Energy: 1.3186891765070523
Energy: 1.1895064381159286
Energy: 1.2628401041865431
Energy: 1.1897573728342774
Energy: 1.2967643516526566
Energy: 1.1899605204084513
Energy: 1.2967643516526566
Energy: 1.1897573728342774
Energy: 1.2967643516526566
Energy: 1.1897299312036356
Energy: 1.2659406188890068
Energy: 1.1897395375820705
Energy: 1.2643683344655188
Energy: 1.1897299312036356
Energy: 1.2659406188890068
Energy: 1.190023034587518
Energy: 1.2968231346364893
Energy: 1.1896273277873008
Energy: 1.2968231346364893
Energy: 1.190023034587518
Energy: 1.2968231346364893
Energy: 1.1975498998667016
Energy: 1.19035328540458
Energy: 1.1895165428109713
Energy: 1.19035328540458
Energy: 1.1975498998667016
Energy: 1.19035328540458
Energy: 1.3017182228388366
Energy: 1.25631956594387
Energy: 1.444965230006613
Energy: 1.25631956594387
Energy: 1.3017182228388366
Energy: 1.25631956594387
Energy: 1.1975410390331651
Energy: 1.2628401041865431
Energy: 1.1895064381159286
Energy: 1.2628401041865431
Energy: 1.1975410390331651
Energy: 1.1903486997114892
Energy: 1.1899605204100572
Energy: 1.2967643516526566
Energy: 1.1897573728342774
Energy: 1.2967643516526566
Energy: 1.1899605204100572
Energy: 1.2967643516526566
Energy: 1.1897395375820705
Energy: 1.264413260035862
Energy: 1.1897299312036356
Energy: 1.2659406188906501
Energy: 1.1897395375820705
Energy: 1.265879599193354
Energy: 1.1896273277873008
Energy: 1.2968231346364893
Energy: 1.1900230345858747
Energy: 1.2968231346364893
Energy: 1.1896273277873008
Energy: 1.2968231346364893

minimum gb energy = 1.1895064381159286 eV
minimum distance =  2.23513057024315 Angstroms
sigma value = 9


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

Energy: 1.3705398342000026
Energy: 1.3476557832399438
Energy: 1.350804133164697
Energy: 1.3476557832399438
Energy: 1.3705398342000026
Energy: 1.3476557832399438
Energy: 1.2668644181569584
Energy: 1.3565245151515752
Energy: 1.3464527083504259
Energy: 1.3565245151515752
Energy: 1.2668644181569584
Energy: 1.3565245151515752
Energy: 1.3703493448410629
Energy: 1.369710687932897
Energy: 1.3479165297849862
Energy: 1.369710687932897
Energy: 1.3703493448410629
Energy: 1.3697106879315553
Energy: 1.3510737787308984
Energy: 1.3531800083725962
Energy: 1.272641429844311
Energy: 1.3531800083725962
Energy: 1.35107377873224
Energy: 1.3531800083725962
Energy: 1.266650827517308
Energy: 1.445030959503237
Energy: 1.3474132902036389
Energy: 1.445030959503237
Energy: 1.266650827517308
Energy: 1.445030959501895
Energy: 1.3507479108376614
Energy: 1.3697548610486585
Energy: 1.3480183659330052
Energy: 1.3697548610486585
Energy: 1.3507479108376614
Energy: 1.369754861047317
Energy: 1.352633009239159
Energy: 1.5177518927913656
Energy: 1.3494471694078674
Energy: 1.5177518927900238
Energy: 1.352633009239159
Energy: 1.5177518927913656
Energy: 1.2896656906881874
Energy: 1.3554783218531465
Energy: 1.3537975202247932
Energy: 1.3554783218531465
Energy: 1.2896656906881874
Energy: 1.3554783218518047
Energy: 1.2865019848546584
Energy: 1.3693253613028085
Energy: 1.2699980676790876
Energy: 1.3693253613028085
Energy: 1.2865019848546584
Energy: 1.3693253613014664
Energy: 1.3555108548263572
Energy: 1.3531792471901314
Energy: 1.3547570369848059
Energy: 1.3531792471901314
Energy: 1.3555108548250154
Energy: 1.3531792471901314
Energy: 1.3531345990600987
Energy: 1.4064543173601496
Energy: 1.2932083897558342
Energy: 1.4064543173601496
Energy: 1.3531345990600987
Energy: 1.4064543173614914
Energy: 1.350382460470555
Energy: 1.3540832789364432
Energy: 1.2841342913745915
Energy: 1.3540832789351014
Energy: 1.350382460470555
Energy: 1.3540832789364432
Energy: 1.3521873341797712
Energy: 1.3522702441296088
Energy: 1.2808374449979456
Energy: 1.352270244128267
Energy: 1.3521873341797712
Energy: 1.3522702441296088
Energy: 1.3505771220137077
Energy: 1.3524166942516458
Energy: 1.2703843518738522
Energy: 1.3524166942516458
Energy: 1.3505771220137077
Energy: 1.3524166942529874
Energy: 1.3507583912869798
Energy: 1.5126421209456542
Energy: 1.3534607520377946
Energy: 1.5126421209456542
Energy: 1.3507583912883216
Energy: 1.5126421209456542
Energy: 1.2864561092469904
Energy: 1.3667132240913726
Energy: 1.2698544184398879
Energy: 1.3667132240913726
Energy: 1.2864561092469904
Energy: 1.3667132240900308
Energy: 1.2865481050791374
Energy: 1.3916405841864872
Energy: 1.3121450105848724
Energy: 1.3916405841838035
Energy: 1.2865481050791374
Energy: 1.3916405841811201
Energy: 1.3636907308369457
Energy: 1.5161832430656965
Energy: 1.3547710492153142
Energy: 1.5161832430656965
Energy: 1.3636907308356039
Energy: 1.5161832430656965
Energy: 1.3532834953459116
Energy: 1.3522367773797361
Energy: 1.292089701301987
Energy: 1.3522367773797361
Energy: 1.3532834953459116
Energy: 1.3522367773797361
Energy: 1.3591932027656843
Energy: 1.4453993567563455
Energy: 1.35356509206771
Energy: 1.4453993567550034
Energy: 1.3591932027656843
Energy: 1.4453993567563455
Energy: 1.353187900454512
Energy: 1.3530235454403314
Energy: 1.2808381498437487
Energy: 1.3530235454403314
Energy: 1.3531879004558536
Energy: 1.3530235454403314

minimum gb energy = 1.266650827517308 eV
minimum distance =  2.22012833696639 Angstroms
sigma value = 27


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

Energy: 1.4543973771229397
Energy: 1.3185962056907774
Energy: 1.3715504589086858
Energy: 1.3185962056907774
Energy: 1.4543973771229397
Energy: 1.3185962056907774
Energy: 1.304470490967912
Energy: 1.266905975875549
Energy: 1.3090247132335875
Energy: 1.266905975874418
Energy: 1.304470490966781
Energy: 1.266905975875549
Energy: 1.3336705223076302
Energy: 1.2872098637464426
Energy: 1.308709466412435
Energy: 1.2872098637464426
Energy: 1.3336705223076302
Energy: 1.2872098637464426
Energy: 1.3673689794951325
Energy: 1.5347871053297863
Energy: 1.3349072083968008
Energy: 1.5347871053297863
Energy: 1.3673689794951325
Energy: 1.5347871053297863
Energy: 1.2667383565641674
Energy: 1.3459293766976475
Energy: 1.2690836783205646
Energy: 1.3459293766976475
Energy: 1.2667383565641674
Energy: 1.3459293766976475
Energy: 1.3584804867036044
Energy: 1.3753234125405056
Energy: 1.3113680892201367
Energy: 1.3753234125405056
Energy: 1.3584804867036044
Energy: 1.3753234125405056
Energy: 1.3503864294555732
Energy: 1.4894951109315229
Energy: 1.3186399524739674
Energy: 1.4894951109315229
Energy: 1.3503864294544423
Energy: 1.4894951109315229
Energy: 1.2904439038437165
Energy: 1.2998230898349137
Energy: 1.3184750851690152
Energy: 1.2998230898349137
Energy: 1.2904439038437165
Energy: 1.2998230898349137
Energy: 1.3836705056687466
Energy: 1.551373789945526
Energy: 1.3662579650088114
Energy: 1.551373789945526
Energy: 1.3836705056687466
Energy: 1.551373789945526
Energy: 1.310336511421454
Energy: 1.289930343968366
Energy: 1.319538555992898
Energy: 1.289930343968366
Energy: 1.310336511421454
Energy: 1.289930343968366
Energy: 1.3312023414203076
Energy: 1.2721933340236604
Energy: 1.319462544361397
Energy: 1.2721933340236604
Energy: 1.3312023414203076
Energy: 1.2721933340236604
Energy: 1.3837082916641514
Energy: 1.5514321628959602
Energy: 1.3287043220143262
Energy: 1.5514321628959602
Energy: 1.3837082916641514
Energy: 1.5514321628959602
Energy: 1.2900281366445303
Energy: 1.2992011356211195
Energy: 1.3189576740262197
Energy: 1.2992011356211195
Energy: 1.2900281366445303
Energy: 1.2992011356211195
Energy: 1.2935965327342396
Energy: 1.4756503902351439
Energy: 1.3185448651898592
Energy: 1.4756503902351439
Energy: 1.2935965327342396
Energy: 1.4756503902351439
Energy: 1.3655077586671518
Energy: 1.3759582646304303
Energy: 1.3116722881589549
Energy: 1.3759582646292994
Energy: 1.3655077586671518
Energy: 1.3759582646292994
Energy: 1.2670954139956563
Energy: 1.3459293766987783
Energy: 1.2697125482817693
Energy: 1.3459293766976475
Energy: 1.2670954139956563
Energy: 1.3459293766976475
Energy: 1.366990377859353
Energy: 1.4897780413411308
Energy: 1.265750660816535
Energy: 1.4897780413411308
Energy: 1.366990377859353
Energy: 1.4897780413422619
Energy: 1.3098221182306822
Energy: 1.2874003674760015
Energy: 1.3088516763702092
Energy: 1.2874003674760015
Energy: 1.3098221182306822
Energy: 1.2874003674760015
Energy: 1.348840674601219
Energy: 1.2987995481237933
Energy: 1.3089836456527288
Energy: 1.2987995481237933
Energy: 1.348840674601219
Energy: 1.2987995481237933
Energy: 1.4543973771229397
Energy: 1.3185962056907774
Energy: 1.3715504589086858
Energy: 1.3185962056907774
Energy: 1.4543973771229397
Energy: 1.3185962056907774
Energy: 1.304470490966781
Energy: 1.266905975875549
Energy: 1.3090247132335875
Energy: 1.266905975875549
Energy: 1.304470490966781
Energy: 1.266905975875549
Energy: 1.3336705223076302
Energy: 1.2872098637464426
Energy: 1.308709466411304
Energy: 1.2872098637464426
Energy: 1.3336705223076302
Energy: 1.2872098637464426
Energy: 1.3673689794951325
Energy: 1.5347871053297863
Energy: 1.316587387389373
Energy: 1.5347871053297863
Energy: 1.3673689794951325
Energy: 1.5347871053286555
Energy: 1.2667383565641674
Energy: 1.3459293766987783
Energy: 1.2690836783205646
Energy: 1.3459293766976475
Energy: 1.2667383565641674
Energy: 1.3459293766976475
Energy: 1.3584804867036044
Energy: 1.3753234125405056
Energy: 1.3113680892201367
Energy: 1.3753234125405056
Energy: 1.3584804867036044
Energy: 1.3753234125405056

minimum gb energy = 1.265750660816535 eV
minimum distance =  2.23633517309468 Angstroms
sigma value = 19


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

Energy: 1.4691989311920508
Energy: 1.2888544671645459
Energy: 1.3462058467773128
Energy: 1.2888544671645459
Energy: 1.4691989311920508
Energy: 1.2888544671655002
Energy: 1.276062273433579
Energy: 1.2688278626904845
Energy: 1.273272006678078
Energy: 1.2688278626904845
Energy: 1.276062273433579
Energy: 1.2688278626904845
Energy: 1.2650909333109754
Energy: 1.2677771754322975
Energy: 1.2732428086518033
Energy: 1.2677771754322975
Energy: 1.2650909333109754
Energy: 1.2677771754322975
Energy: 1.2846288015768907
Energy: 1.4112455580089296
Energy: 1.2988565572713153
Energy: 1.4112455580089296
Energy: 1.2846288015768907
Energy: 1.4112455580089296
Energy: 1.2683898195614276
Energy: 1.2657798357980594
Energy: 1.2953608274041717
Energy: 1.2657798357990357
Energy: 1.2683898195614276
Energy: 1.2657798357990357
Energy: 1.2901714126059203
Energy: 1.461171689129455
Energy: 1.2814242196395365
Energy: 1.461171689129455
Energy: 1.2901714126059203
Energy: 1.461171689129455
Energy: 1.2537602766489924
Energy: 1.4841776389307695
Energy: 1.2951089767982664
Energy: 1.4841776389307695
Energy: 1.253760276648016
Energy: 1.4841776389307695
Energy: 1.253901465105473
Energy: 1.4583504421707578
Energy: 1.2821323491962977
Energy: 1.4583504421707578
Energy: 1.253901465105473
Energy: 1.4583504421707578
Energy: 1.2845887376899214
Energy: 1.4589057058465307
Energy: 1.3109597826147479
Energy: 1.4589057058465307
Energy: 1.2845887376899214
Energy: 1.4589057058465307
Energy: 1.2678301104214973
Energy: 1.3814802048609485
Energy: 1.2739819081652455
Energy: 1.3814802048619246
Energy: 1.2678301104214973
Energy: 1.3814802048609485
Energy: 1.2537629475537675
Energy: 1.2683655610100164
Energy: 1.2729889560890737
Energy: 1.2683655610100164
Energy: 1.2537629475537675
Energy: 1.2683655610100164
Energy: 1.2908116596630357
Energy: 1.2495797326249922
Energy: 1.263920557469563
Energy: 1.2495797326249922
Energy: 1.2908116596630357
Energy: 1.2495797326249922
Energy: 1.2907323646700388
Energy: 1.247186504943088
Energy: 1.2637292547707217
Energy: 1.247186504943088
Energy: 1.2907323646700388
Energy: 1.247186504943088
Energy: 1.2825841380589391
Energy: 1.5467763541845263
Energy: 1.3471736683797073
Energy: 1.5467763541845263
Energy: 1.2825841380589391
Energy: 1.5467763541845263
Energy: 1.2845550318723995
Energy: 1.2963423693249234
Energy: 1.2638965399893367
Energy: 1.2963423693249234
Energy: 1.2845550318723995
Energy: 1.2963423693249234
Energy: 1.3058905825317808
Energy: 1.3692550788766538
Energy: 1.249130273355802
Energy: 1.3692550788766538
Energy: 1.3058905825317808
Energy: 1.3692550788766538
Energy: 1.265531809940149
Energy: 1.457894887658104
Energy: 1.2927981554238908
Energy: 1.457894887658104
Energy: 1.265531809940149
Energy: 1.457894887658104
Energy: 1.297722930872318
Energy: 1.3144322731881923
Energy: 1.2468804682946564
Energy: 1.3144322731881923
Energy: 1.297722930872318
Energy: 1.3144322731881923
Energy: 1.2659654856471296
Energy: 1.4582123165823033
Energy: 1.2678174626610372
Energy: 1.4582123165823033
Energy: 1.2659654856471296
Energy: 1.4582123165823033
Energy: 1.3060940774975067
Energy: 1.3700992267445726
Energy: 1.260904742058892
Energy: 1.3700992267445726
Energy: 1.3060940774975067
Energy: 1.3700992267445726
Energy: 1.2846315529899937
Energy: 1.3803106748638165
Energy: 1.2640423674656371
Energy: 1.3803106748647929
Energy: 1.2846315529899937
Energy: 1.3803106748638165
Energy: 1.2837486295476985
Energy: 1.4653186998920469
Energy: 1.3472644781118746
Energy: 1.4653186998920469
Energy: 1.2837486295476985
Energy: 1.4653186998920469
Energy: 1.329876040358879
Energy: 1.2630342525327014
Energy: 1.2638616911440446
Energy: 1.2630342525327014
Energy: 1.329876040358879
Energy: 1.2630342525327014
Energy: 1.3301380517804926
Energy: 1.27413211560804
Energy: 1.2640064908336368
Energy: 1.27413211560804
Energy: 1.330138051781469
Energy: 1.27413211560804
Energy: 1.4074141398480953
Energy: 1.4658763847504659
Energy: 1.3026791400033386
Energy: 1.4658763847494896
Energy: 1.4074141398480953
Energy: 1.4658763847494896
Energy: 1.26784220510156
Energy: 1.2677497368651889
Energy: 1.27312402234501
Energy: 1.2677497368651889
Energy: 1.26784220510156
Energy: 1.2677497368651889
Energy: 1.2847104581187894
Energy: 1.371041879959674
Energy: 1.2876628936055998
Energy: 1.371041879959674
Energy: 1.2847104581187894
Energy: 1.371041879959674
Energy: 1.2539128284080066
Energy: 1.457807593389305
Energy: 1.2813607054158445
Energy: 1.457807593389305
Energy: 1.2539128284080066
Energy: 1.457807593389305
Energy: 1.2541967735868533
Energy: 1.4925393651344772
Energy: 1.295097577410457
Energy: 1.4925393651344772
Energy: 1.2541967735868533
Energy: 1.4925393651344772

minimum gb energy = 1.2468804682946564 eV
minimum distance =  2.21601357901439 Angstroms
sigma value = 101


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

Energy: 1.4058855795543532
Energy: 1.3639647320659427
Energy: 1.2725249302256694
Energy: 1.3639647320659427
Energy: 1.4058855795543532
Energy: 1.3639647320650847
Energy: 1.2455324146891815
Energy: 1.2336220458012654
Energy: 1.243723202791938
Energy: 1.2336220458021234
Energy: 1.2455324146891815
Energy: 1.2336220458012654
Energy: 1.2290040938487066
Energy: 1.3483307934158113
Energy: 1.2484401566754104
Energy: 1.3483307934158113
Energy: 1.2290040938487066
Energy: 1.3483307934158113
Energy: 1.2278365722577211
Energy: 1.43542697843263
Energy: 1.2384525139926807
Energy: 1.4451934122659116
Energy: 1.2278365722577211
Energy: 1.43542697843263
Energy: 1.216047198771418
Energy: 1.3885325848071202
Energy: 1.2305641707420771
Energy: 1.3885325848071202
Energy: 1.216047198771418
Energy: 1.3885325848071202
Energy: 1.2302372500614862
Energy: 1.4229370448937735
Energy: 1.2156261036604545
Energy: 1.4229370448937735
Energy: 1.2302372500614862
Energy: 1.4229370448937735
Energy: 1.2302977052925625
Energy: 1.4684766548787191
Energy: 1.215847733144249
Energy: 1.4684766548787191
Energy: 1.2302977052934208
Energy: 1.4684766548787191
Energy: 1.2287315989698675
Energy: 1.452058218142327
Energy: 1.2287148924248417
Energy: 1.469705199868758
Energy: 1.2287315989698675
Energy: 1.4241982389220436
Energy: 1.2156737843035779
Energy: 1.4229647660675797
Energy: 1.2292791112315256
Energy: 1.4229647660675797
Energy: 1.215673784304436
Energy: 1.4229647660675797
Energy: 1.2154624389536275
Energy: 1.353274773330558
Energy: 1.2155400540329102
Energy: 1.353274773330558
Energy: 1.2154624389536275
Energy: 1.353274773330558
Energy: 1.254686136891962
Energy: 1.418609678198038
Energy: 1.2802510645370415
Energy: 1.418609678198038
Energy: 1.254686136891962
Energy: 1.418609678198038
Energy: 1.2438324838053982
Energy: 1.3478793437305423
Energy: 1.2167179935136148
Energy: 1.3478793437305423
Energy: 1.2438324838053982
Energy: 1.3478793437305423
Energy: 1.244076210399167
Energy: 1.236966754206553
Energy: 1.2227122771647418
Energy: 1.2369667542074112
Energy: 1.244076210399167
Energy: 1.2369667541996876
Energy: 1.2370595083752443
Energy: 1.2938783059808283
Energy: 1.2436037297864126
Energy: 1.2781522529174751
Energy: 1.2370595083752443
Energy: 1.2938783059808283
Energy: 1.225565023670795
Energy: 1.3510956553069797
Energy: 1.2436106129667195
Energy: 1.3510956553069797
Energy: 1.225565023670795
Energy: 1.3510956553069797
Energy: 1.2523231679251812
Energy: 1.2803013595205965
Energy: 1.2298636133914758
Energy: 1.2803013595205965
Energy: 1.2523231679251812
Energy: 1.2803013595197386
Energy: 1.2156814685127848
Energy: 1.4350992830243394
Energy: 1.2157898213226803
Energy: 1.4350992830243394
Energy: 1.2156814685127848
Energy: 1.4350992830243394
Energy: 1.2285448622991653
Energy: 1.3160555098163427
Energy: 1.2154388145043247
Energy: 1.3160555098163427
Energy: 1.2285448623000235
Energy: 1.3160555098163427
Energy: 1.2306313748326505
Energy: 1.4231366101618634
Energy: 1.2297149432970138
Energy: 1.4231366101618634
Energy: 1.2306313748326505
Energy: 1.4231366101618634
Energy: 1.215651786556621
Energy: 1.284983077709688
Energy: 1.2153470616569155
Energy: 1.284983077709688
Energy: 1.215651786555763
Energy: 1.284983077709688
Energy: 1.2451060001125591
Energy: 1.2925303109488921
Energy: 1.2289423390882774
Energy: 1.2925303109488921
Energy: 1.2451060001125591
Energy: 1.2925303109497503
Energy: 1.216137724177615
Energy: 1.4218563210939463
Energy: 1.2153228420658726
Energy: 1.421856321093088
Energy: 1.2161377241767568
Energy: 1.4218563210939463
Energy: 1.2289212405202778
Energy: 1.422096428889756
Energy: 1.2157514691456852
Energy: 1.4220964288888978
Energy: 1.2289212405202778
Energy: 1.422096428889756
Energy: 1.2277934406054098
Energy: 1.4478390935334817
Energy: 1.2836859250371175
Energy: 1.44783909353434
Energy: 1.2277934406054098
Energy: 1.4478390935334817
Energy: 1.2157770496241194
Energy: 1.3345101232295538
Energy: 1.227489469269789
Energy: 1.3345101232286956
Energy: 1.2157770496241194
Energy: 1.3345101232295538
Energy: 1.2226482293700063
Energy: 1.4241450883473667
Energy: 1.2522586277555334
Energy: 1.424145088348225
Energy: 1.2226482293700063
Energy: 1.4241450883465083
Energy: 1.243820236819237
Energy: 1.2158353498982337
Energy: 1.2154826439803197
Energy: 1.2158353498982337
Energy: 1.2438202368200955
Energy: 1.2158353498973755
Energy: 1.2438562008708747
Energy: 1.2160420831822145
Energy: 1.2152359866905302
Energy: 1.2160420831822145
Energy: 1.243856200870016
Energy: 1.2160420831822145
Energy: 1.2723470879844592
Energy: 1.280658867939637
Energy: 1.305217501534559
Energy: 1.2806588679387783
Energy: 1.2723470879844592
Energy: 1.280658867939637
Energy: 1.2154698783474587
Energy: 1.2247668213117482
Energy: 1.215372817809829
Energy: 1.2247668213108902
Energy: 1.2154698783474587
Energy: 1.2247668213117482
Energy: 1.2155027240833494
Energy: 1.2924447452046386
Energy: 1.228641448322682
Energy: 1.2924447452054968
Energy: 1.2155027240833494
Energy: 1.2924447452054968
Energy: 1.2227504715924222
Energy: 1.41919937901919
Energy: 1.2155020934155263
Energy: 1.41919937901919
Energy: 1.2227504715924222
Energy: 1.41919937901919
Energy: 1.2158150224758884
Energy: 1.2838561404629387
Energy: 1.2290251534962144
Energy: 1.2838561404629387
Energy: 1.2158150224758884
Energy: 1.2838561404629387

minimum gb energy = 1.2152359866905302 eV
minimum distance =  2.22905078169983 Angstroms
sigma value = 33


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

Energy: 0.015083199498700923
Energy: 0.015861492692722332
Energy: 1.5081567394959317
Energy: 0.015861492682264156
Energy: 0.015083199498700923
Energy: 0.01586149269200927
Energy: 0.015488703369391817
Energy: 0.7831429300518216
Energy: 0.015488703369391817
Energy: 0.7831429300518216
Energy: 0.015488703369391817
Energy: 0.7831429300518216
Energy: 1.676271801130333
Energy: 0.01586149267529204
Energy: 0.015083199498700923
Energy: 0.01586149267667854
Energy: 1.676271801130333
Energy: 0.015861492674618595
Energy: 0.015488703369391817
Energy: 0.7831429300518216
Energy: 0.015488703370104875
Energy: 0.7831429300518216
Energy: 0.015488703369391817
Energy: 0.7831429300518216

minimum gb energy = 0.015083199498700923 eV
minimum distance =  2.44288442124938 Angstroms
sigma value = 1