Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
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=2.8553245961666107
cohesive_energy=4.122759350632683
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: 0.012774092277773985
Energy: 0.013397499754541532
Energy: 0.42638301347194013
Energy: 0.013397499755016286
Energy: 0.012774092277773985
Energy: 0.013397499754541532
Energy: 0.013397499754541532
Energy: 2.7928018999133677
Energy: 0.013397499754541532
Energy: 2.7928018999133677
Energy: 0.013397499754541532
Energy: 2.7928018999128654
Energy: 0.42638301347194013
Energy: 0.013397499754541532
Energy: 0.012774092277773985
Energy: 0.013397499754541532
Energy: 0.4263830134714375
Energy: 0.013397499755016286
Energy: 0.013397499754541532
Energy: 2.7928018999128654
Energy: 0.01339749975403885
Energy: 2.7928018999133677
Energy: 0.013397499754541532
Energy: 2.7928018999123627
Energy: 0.012774092277773985
Energy: 0.013397499754541532
Energy: 0.4263830134714375
Energy: 0.013397499755016286
Energy: 0.012774092277773985
Energy: 0.013397499754541532
Energy: 0.013397499754541532
Energy: 2.7928018999128654
Energy: 0.013397499755016286
Energy: 2.792801899913843
Energy: 0.013397499754541532
Energy: 2.7928018999133677

minimum gb energy = 0.012774092277773985 eV
minimum distance =  2.26075623827305 Angstroms
sigma value = 1


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

Energy: 1.268467363303661
Energy: 1.33380823846557
Energy: 1.21498130810795
Energy: 1.33380823846557
Energy: 1.268467363303661
Energy: 1.33380823846557
Energy: 1.2285909339981358
Energy: 1.3021621997877266
Energy: 1.2613461433012805
Energy: 1.3021621997865167
Energy: 1.228590933999346
Energy: 1.3021621997865167
Energy: 1.1185289068846693
Energy: 1.2997083747588933
Energy: 1.2609372690483127
Energy: 1.2997083747601035
Energy: 1.1185289068846693
Energy: 1.2997083747601035
Energy: 1.2912174161396004
Energy: 1.277495056542668
Energy: 1.119831218896654
Energy: 1.2774950565450882
Energy: 1.2912174161396004
Energy: 1.2774950565438783
Energy: 1.2894750155241546
Energy: 1.3218410636370765
Energy: 1.2881113537197608
Energy: 1.3218410636370765
Energy: 1.2894750155241546
Energy: 1.3218410636370765
Energy: 1.2619874372128776
Energy: 1.3036979511121993
Energy: 1.1244311056088614
Energy: 1.3036979511121993
Energy: 1.2619874372128776
Energy: 1.3036979511121993
Energy: 1.2618423229483424
Energy: 1.298680556834461
Energy: 1.1244974938261831
Energy: 1.298680556834461
Energy: 1.2618423229483424
Energy: 1.298680556834461
Energy: 1.3113993796055587
Energy: 1.3233104711188262
Energy: 1.120916564684762
Energy: 1.3233104711188262
Energy: 1.3113993796055587
Energy: 1.3233104711188262
Energy: 1.3267310718261758
Energy: 1.2708702899831326
Energy: 1.1196944924990857
Energy: 1.2708702899722424
Energy: 1.3267310718249659
Energy: 1.270870289971032
Energy: 1.2632951016150742
Energy: 1.2973888296174627
Energy: 1.1253333560572205
Energy: 1.2973888296174627
Energy: 1.2632951016150742
Energy: 1.2973888296162528
Energy: 1.1187714002077003
Energy: 1.277057409906696
Energy: 1.226168932409837
Energy: 1.277057409923636
Energy: 1.1187714002077003
Energy: 1.2770574099429963
Energy: 1.122079478416048
Energy: 1.3214243265617038
Energy: 1.1220872416463543
Energy: 1.3214243265617038
Energy: 1.122079478416048
Energy: 1.3214243265617038
Energy: 1.22634717698726
Energy: 1.277057409923636
Energy: 1.2308522745732726
Energy: 1.2770574098921759
Energy: 1.22634717698726
Energy: 1.277057409917586
Energy: 1.1255724901076938
Energy: 1.2976078676730853
Energy: 1.2632991377327565
Energy: 1.2976078676730853
Energy: 1.1255724901076938
Energy: 1.2976078676730853
Energy: 1.119548767348405
Energy: 1.2712807565165432
Energy: 1.3264128535255972
Energy: 1.271280756514123
Energy: 1.119548767348405
Energy: 1.2712807565129132
Energy: 1.1208717723941235
Energy: 1.3233147538359649
Energy: 1.3114114659242084
Energy: 1.3233147538359649
Energy: 1.1208717723917034
Energy: 1.3233147538359649
Energy: 1.1243461444501184
Energy: 1.298465599768216
Energy: 1.262449013357955
Energy: 1.298465599768216
Energy: 1.1243461444501184
Energy: 1.298465599768216
Energy: 1.124790880169774
Energy: 1.3039344135503108
Energy: 1.2641723476250541
Energy: 1.3039344135527309
Energy: 1.124790880169774
Energy: 1.303934413551521
Energy: 1.287974585482743
Energy: 1.3219411377295047
Energy: 1.2890553460569474
Energy: 1.3219411377295047
Energy: 1.287974585482743
Energy: 1.3219411377306598
Energy: 1.1197572372066158
Energy: 1.2669773672499864
Energy: 1.2889673772817452
Energy: 1.2669773672511966
Energy: 1.1197572372066158
Energy: 1.2669773672511966
Energy: 1.2608159585674568
Energy: 1.2997367093952283
Energy: 1.118513112993674
Energy: 1.2997367093952283
Energy: 1.2608159585674568
Energy: 1.2997367093940182
Energy: 1.263047113151971
Energy: 1.3015836129772875
Energy: 1.2281643381573706
Energy: 1.3015836129772875
Energy: 1.263047113151971
Energy: 1.3015836129772875
Energy: 1.2149813081091596
Energy: 1.33380823846557
Energy: 1.268467363303661
Energy: 1.33380823846557
Energy: 1.2149813081091596
Energy: 1.33380823846557

minimum gb energy = 1.118513112993674 eV
minimum distance =  2.23471991595132 Angstroms
sigma value = 33


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

Energy: 1.6676759993676724
Energy: 1.3908598030668826
Energy: 1.2732602757690479
Energy: 1.3908598030661945
Energy: 1.6676759993683605
Energy: 1.3908598030668826
Energy: 1.2359148702123464
Energy: 1.3564260263583732
Energy: 1.3890150517545619
Energy: 1.3564260263576853
Energy: 1.2359148702137228
Energy: 1.3564260263576853
Energy: 1.163412850076427
Energy: 1.3874033274607054
Energy: 1.3612515923557793
Energy: 1.3874033274613935
Energy: 1.163412850076427
Energy: 1.3874033274607054
Energy: 1.263525096916237
Energy: 1.3343550040957834
Energy: 1.3750482144314289
Energy: 1.334355004095095
Energy: 1.2635250969169254
Energy: 1.3343550040957834
Energy: 1.2631839916609708
Energy: 1.3879153806069575
Energy: 1.3739722526704077
Energy: 1.3879153806069575
Energy: 1.2631839916609708
Energy: 1.3879153806069575
Energy: 1.2808706263735572
Energy: 1.3661139975730465
Energy: 1.170006145207417
Energy: 1.3661139975723582
Energy: 1.2808706263735572
Energy: 1.3661139975723582
Energy: 1.2809743795659136
Energy: 1.3660763685738904
Energy: 1.3514870992734025
Energy: 1.3660763685745785
Energy: 1.2809743795659136
Energy: 1.3660763685738904
Energy: 1.1958083438257874
Energy: 1.367958679278212
Energy: 1.2811486113491553
Energy: 1.367958679278212
Energy: 1.1958083438257874
Energy: 1.367958679278212
Energy: 1.3037740409839291
Energy: 1.3337539862625676
Energy: 1.3718770443127122
Energy: 1.3337539862625676
Energy: 1.3037740409839291
Energy: 1.3337539862625676
Energy: 1.2328756551028037
Energy: 1.3872151135738324
Energy: 1.237806654710973
Energy: 1.3872151135738324
Energy: 1.2328756551028037
Energy: 1.3872151135738324
Energy: 1.2351823618232276
Energy: 1.3582283844650536
Energy: 1.2847544310830985
Energy: 1.3582283844643654
Energy: 1.2351823618232276
Energy: 1.3582283844650536
Energy: 1.3599453510841435
Energy: 1.369025623694662
Energy: 1.2556779978812986
Energy: 1.369025623694662
Energy: 1.3599453510841435
Energy: 1.369025623694662
Energy: 1.4270940569389645
Energy: 1.3380691106100344
Energy: 1.2349800210300492
Energy: 1.3380691106100344
Energy: 1.4270940569403412
Energy: 1.3380691106107225
Energy: 1.3065678359000628
Energy: 1.3871137399524007
Energy: 1.2925476639276128
Energy: 1.3871137399517122
Energy: 1.3065678358993744
Energy: 1.3871137399517122
Energy: 1.3609816770496765
Energy: 1.3748234858262232
Energy: 1.3421925779395603
Energy: 1.3748234858269115
Energy: 1.3609816770496765
Energy: 1.3748234858262232
Energy: 1.3614173524007267
Energy: 1.3878174483111814
Energy: 1.255051671099775
Energy: 1.3878174483111814
Energy: 1.3614173524007267
Energy: 1.3878174483111814
Energy: 1.3784406012049897
Energy: 1.3665183422886855
Energy: 1.2407245839094585
Energy: 1.3665183422886855
Energy: 1.3784406012049897
Energy: 1.3665183422886855
Energy: 1.375699496734461
Energy: 1.358109508334066
Energy: 1.4384186250858226
Energy: 1.3581095083354424
Energy: 1.3756994967351488
Energy: 1.358109508334754
Energy: 1.170143260357506
Energy: 1.3687507507338974
Energy: 1.281158530360967
Energy: 1.3687507507338974
Energy: 1.1701432603568178
Energy: 1.3687507507338974
Energy: 1.3157265071910922
Energy: 1.3287041574779699
Energy: 1.3725453666326743
Energy: 1.328704157478658
Energy: 1.3157265071917805
Energy: 1.3287041574772815
Energy: 1.3595416722025069
Energy: 1.3880713231294743
Energy: 1.2164536131572203
Energy: 1.3880713231301627
Energy: 1.3595416722025069
Energy: 1.3880713231301627
Energy: 1.2357250775631612
Energy: 1.358693620525837
Energy: 1.4274307754430857
Energy: 1.358693620523772
Energy: 1.2357250775631612
Energy: 1.358693620525837
Energy: 1.2375798221987828
Energy: 1.3689908871154304
Energy: 1.3744247021432603
Energy: 1.3689908871147423
Energy: 1.2375798221987828
Energy: 1.3689908871154304
Energy: 1.45741282583118
Energy: 1.357201896211728
Energy: 1.2828316328445177
Energy: 1.3572018962124162
Energy: 1.45741282583118
Energy: 1.357201896211728
Energy: 1.2793945717161979
Energy: 1.366330273752024
Energy: 1.3612505967128794
Energy: 1.366330273752024
Energy: 1.2793945717161979
Energy: 1.3663302737527123
Energy: 1.2916760837950303
Energy: 1.3879109485399526
Energy: 1.189040552406949
Energy: 1.3879109485399526
Energy: 1.291676083794342
Energy: 1.3879109485399526
Energy: 1.2917445978405282
Energy: 1.3881179778407007
Energy: 1.2193380716429565
Energy: 1.388117977841389
Energy: 1.2917445978412163
Energy: 1.388117977841389
Energy: 1.2794509747526168
Energy: 1.3663150013458643
Energy: 1.3606972504948007
Energy: 1.3663150013465526
Energy: 1.2794509747526168
Energy: 1.3663150013458643
Energy: 1.456901497910909
Energy: 1.357468747033999
Energy: 1.2838434942924557
Energy: 1.3574687470346873
Energy: 1.4569014979102206
Energy: 1.357468747033999
Energy: 1.2380466294441506
Energy: 1.3690267798109437
Energy: 1.375037809263665
Energy: 1.3690267798109437
Energy: 1.2380466294448391
Energy: 1.3690267798109437
Energy: 1.23573692389823
Energy: 1.3586936205265252
Energy: 1.4275782982533842
Energy: 1.358693620525837
Energy: 1.23573692389823
Energy: 1.3586936205279017
Energy: 1.359470122330937
Energy: 1.3886492143439477
Energy: 1.216489824196963
Energy: 1.3886492143439477
Energy: 1.3594701223316252
Energy: 1.3886492143439477
Energy: 1.3161517130224103
Energy: 1.332464937366866
Energy: 1.3715880826583877
Energy: 1.3324649373675546
Energy: 1.3161517130224103
Energy: 1.3324649373661779
Energy: 1.1701466807826073
Energy: 1.3687312355983818
Energy: 1.3045528456008486
Energy: 1.3687312355983818
Energy: 1.1701466807826073
Energy: 1.3687312355983818
Energy: 1.3749019490865144
Energy: 1.3578653324827454
Energy: 1.3386869693149257
Energy: 1.3578653324834336
Energy: 1.3749019490865144
Energy: 1.3578653324827454
Energy: 1.3737000301943112
Energy: 1.3664855660947903
Energy: 1.2400735864373025
Energy: 1.3664855660947903
Energy: 1.3737000301943112
Energy: 1.3664855660947903
Energy: 1.3643455739793597
Energy: 1.3880299232579578
Energy: 1.2550658065930065
Energy: 1.3880299232572697
Energy: 1.3643455739793597
Energy: 1.3880299232572697
Energy: 1.3629465664493137
Energy: 1.3719003801349636
Energy: 1.3388212126154075
Energy: 1.3719003801342753
Energy: 1.3629465664493137
Energy: 1.3719003801342753
Energy: 1.3049237492024335
Energy: 1.387151519788177
Energy: 1.2923416329135633
Energy: 1.387151519788177
Energy: 1.3049237492031218
Energy: 1.3871515197874889
Energy: 1.4284353264726728
Energy: 1.3412371394465523
Energy: 1.2360097646973482
Energy: 1.3412371394465523
Energy: 1.4284353264719845
Energy: 1.3412371394458642
Energy: 1.35993772045377
Energy: 1.368985761380095
Energy: 1.2561356122350962
Energy: 1.3689857613807834
Energy: 1.35993772045377
Energy: 1.368985761380095

minimum gb energy = 1.163412850076427 eV
minimum distance =  2.22798626437399 Angstroms
sigma value = 51


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

Energy: 1.6228824281185765
Energy: 1.4878648124542428
Energy: 1.2289367908715478
Energy: 1.4878648124542428
Energy: 1.6228824281185765
Energy: 1.4878648124542428
Energy: 1.305789807870981
Energy: 1.4040065132582034
Energy: 1.4480462358756392
Energy: 1.4040065132582034
Energy: 1.305789807870981
Energy: 1.4040065132582034
Energy: 1.236186446708678
Energy: 1.4080138900491173
Energy: 1.4516108085350798
Energy: 1.4080138900475225
Energy: 1.236186446708678
Energy: 1.4080138900491173
Energy: 1.247869413431575
Energy: 1.402304642579014
Energy: 1.4475289271520793
Energy: 1.402304642579014
Energy: 1.2478694134299804
Energy: 1.402304642579014
Energy: 1.272231788321368
Energy: 1.4024421928976014
Energy: 1.4517096744604534
Energy: 1.4024421928976014
Energy: 1.272231788321368
Energy: 1.4024421928960067
Energy: 1.4370562660484154
Energy: 1.3482503012207643
Energy: 1.4657361335667896
Energy: 1.3482503012207643
Energy: 1.4370562660484154
Energy: 1.3482503012207643
Energy: 1.43790203255772
Energy: 1.3532760820030119
Energy: 1.4218545526175819
Energy: 1.3532760820030119
Energy: 1.4379020325593148
Energy: 1.3532760820030119
Energy: 1.2699846856161527
Energy: 1.4171606420878642
Energy: 1.2327937784035983
Energy: 1.4171606420878642
Energy: 1.2699846856161527
Energy: 1.4171606420878642
Energy: 1.4370098050469775
Energy: 1.4449208589613922
Energy: 1.1926483173315519
Energy: 1.4449208589613922
Energy: 1.4370098050453828
Energy: 1.4449208589597975
Energy: 1.2387972400771865
Energy: 1.4077856169406093
Energy: 1.2328566845639606
Energy: 1.4077856169406093
Energy: 1.2387972400771865
Energy: 1.4077856169406093
Energy: 1.4713770336548793
Energy: 1.3517103016744663
Energy: 1.4514779115715426
Energy: 1.3517103016744663
Energy: 1.4713770336533207
Energy: 1.351710301676061
Energy: 1.623038315598
Energy: 1.489386065433161
Energy: 1.4653529082691628
Energy: 1.489386065434756
Energy: 1.623038315598
Energy: 1.489386065433161
Energy: 1.3146119446388977
Energy: 1.407461974693903
Energy: 1.451631242826661
Energy: 1.407461974693903
Energy: 1.3146119446388977
Energy: 1.407461974693903
Energy: 1.2387607063129227
Energy: 1.4077370366172233
Energy: 1.4608584834416352
Energy: 1.4077370366156285
Energy: 1.2387607063129227
Energy: 1.4077370366172233
Energy: 1.2363525119167322
Energy: 1.4082365597792037
Energy: 1.4500394561132603
Energy: 1.4082365597792037
Energy: 1.2363525119167322
Energy: 1.4082365597792037
Energy: 1.272103407840797
Energy: 1.4029383763222398
Energy: 1.4527492401619293
Energy: 1.4029383763222398
Energy: 1.2721034078392022
Energy: 1.402938376320645
Energy: 1.4370933740382672
Energy: 1.4081661918823576
Energy: 1.4653258677917447
Energy: 1.4081661918839523
Energy: 1.4370933740382672
Energy: 1.4081661918839523
Energy: 1.4374666193543961
Energy: 1.3516728898292678
Energy: 1.4217779821393417
Energy: 1.3516728898324573
Energy: 1.4374666193448646
Energy: 1.3516728898308625

minimum gb energy = 1.1926483173315519 eV
minimum distance =  2.20779745929883 Angstroms
sigma value = 19


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

Energy: 1.5463384403971083
Energy: 1.5133238638748323
Energy: 1.418555188422736
Energy: 1.5133238638748323
Energy: 1.5463384403971083
Energy: 1.5133238638757784
Energy: 1.2807166814094955
Energy: 1.4827896596962427
Energy: 1.4216249543533854
Energy: 1.4827896596962427
Energy: 1.2807166814104414
Energy: 1.4827896596962427
Energy: 1.2120986829425333
Energy: 1.4618523131003
Energy: 1.3741394497674095
Energy: 1.4618523131003
Energy: 1.2120986829425333
Energy: 1.4618523131003
Energy: 1.2333025551163768
Energy: 1.44928109267832
Energy: 1.3766633149423217
Energy: 1.44928109267832
Energy: 1.2333025551163768
Energy: 1.44928109267832
Energy: 1.2978971621421524
Energy: 1.5272905373244618
Energy: 1.5698597232240044
Energy: 1.5272905373244618
Energy: 1.2978971621421524
Energy: 1.5272905373244618
Energy: 1.5697497427549179
Energy: 1.5273486358753632
Energy: 1.2977389656139433
Energy: 1.5273486358763089
Energy: 1.5697497427558635
Energy: 1.5273486358763089
Energy: 1.3743417268634344
Energy: 1.4491548992908354
Energy: 1.2328216278938737
Energy: 1.4491548992908354
Energy: 1.3743417268634344
Energy: 1.4491548992908354
Energy: 1.3742627408090549
Energy: 1.4619036051176681
Energy: 1.2120637580090672
Energy: 1.4619036051176681
Energy: 1.3742627408081087
Energy: 1.4619036051186136
Energy: 1.421530071092211
Energy: 1.482840221820187
Energy: 1.2802428267738322
Energy: 1.482840221820187
Energy: 1.421530071092211
Energy: 1.482840221820187
Energy: 1.418555188422736
Energy: 1.5133238638748323
Energy: 1.5463384403971083
Energy: 1.5133238638748323
Energy: 1.418555188422736
Energy: 1.5133238638748323
Energy: 1.4216249543533854
Energy: 1.4827896596962427
Energy: 1.2807166814094955
Energy: 1.4827896596962427
Energy: 1.4216249543543313
Energy: 1.4827896596962427
Energy: 1.3741394497693014
Energy: 1.4618523131003
Energy: 1.2120986829425333
Energy: 1.4618523131003
Energy: 1.3741394497702475
Energy: 1.4618523131003
Energy: 1.3766633149442136
Energy: 1.44928109267832
Energy: 1.2333025551163768
Energy: 1.44928109267832
Energy: 1.3766633149385383
Energy: 1.44928109267832
Energy: 1.5698597232230582
Energy: 1.5272905373244618
Energy: 1.2978971621421524
Energy: 1.5272905373244618
Energy: 1.5698597232240044
Energy: 1.5272905373235162
Energy: 1.2977389656139433
Energy: 1.5273486358753632
Energy: 1.5697497427549179
Energy: 1.5273486358753632
Energy: 1.2977389656139433
Energy: 1.5273486358763089
Energy: 1.2328216278938737
Energy: 1.4491548992908354
Energy: 1.3743417268653264
Energy: 1.4491548992908354
Energy: 1.2328216278938737
Energy: 1.4491548992898897
Energy: 1.2120637580090672
Energy: 1.4619036051176681
Energy: 1.3742627408090549
Energy: 1.4619036051186136
Energy: 1.2120637580090672
Energy: 1.4619036051186136
Energy: 1.2802428267738322
Energy: 1.482840221820187
Energy: 1.421530071092211
Energy: 1.482840221820187
Energy: 1.2802428267738322
Energy: 1.482840221820187
Energy: 1.5463384403971083
Energy: 1.5133238638748323
Energy: 1.418555188422736
Energy: 1.5133238638738868
Energy: 1.5463384403971083
Energy: 1.5133238638757784
Energy: 1.2807166814094955
Energy: 1.4827896596962427
Energy: 1.4216249543533854
Energy: 1.4827896596962427
Energy: 1.2807166814094955
Energy: 1.4827896596962427
Energy: 1.2120986829425333
Energy: 1.4618523131003
Energy: 1.3741394497683554
Energy: 1.4618523131003
Energy: 1.2120986829425333
Energy: 1.4618523131003
Energy: 1.3041253563855546
Energy: 1.44928109267832
Energy: 1.3766633149442136
Energy: 1.44928109267832
Energy: 1.304125356381771
Energy: 1.44928109267832
Energy: 1.2978971621421524
Energy: 1.5272905373244618
Energy: 1.5698597232240044
Energy: 1.5272905373244618
Energy: 1.2978971621421524
Energy: 1.5272905373244618
Energy: 1.5697497427549179
Energy: 1.5273486358763089
Energy: 1.2977389656139433
Energy: 1.5273486358753632
Energy: 1.5697497427549179
Energy: 1.5273486358763089
Energy: 1.3743417268624885
Energy: 1.4491548992908354
Energy: 1.2328216278938737
Energy: 1.4491548992908354
Energy: 1.3743417268634344
Energy: 1.4491548992908354
Energy: 1.3742627408090549
Energy: 1.4619036051186136
Energy: 1.2120637580090672
Energy: 1.4619036051186136
Energy: 1.3742627408090549
Energy: 1.4619036051186136
Energy: 1.4215300710912653
Energy: 1.482840221820187
Energy: 1.2802428267738322
Energy: 1.482840221820187
Energy: 1.421530071092211
Energy: 1.482840221820187
Energy: 1.418555188422736
Energy: 1.5133238638767244
Energy: 1.5463384403971083
Energy: 1.5133238638748323
Energy: 1.418555188422736
Energy: 1.5133238638767244
Energy: 1.4216249543533854
Energy: 1.4827896596962427
Energy: 1.2807166814085496
Energy: 1.4827896596962427
Energy: 1.4216249543533854
Energy: 1.4827896596962427
Energy: 1.3741394497693014
Energy: 1.4618523131003
Energy: 1.2120986829425333
Energy: 1.4618523131003
Energy: 1.3741394497702475
Energy: 1.4618523131003

minimum gb energy = 1.2120637580090672 eV
minimum distance =  2.19725007361722 Angstroms
sigma value = 27


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

Energy: 1.171697682073789
Energy: 1.358476840043644
Energy: 1.5014892109543654
Energy: 1.3584768400434069
Energy: 1.171697682073789
Energy: 1.358476840043644
Energy: 1.1631759981939966
Energy: 1.4372471037425407
Energy: 1.209857760016616
Energy: 1.437247103742304
Energy: 1.1631759981937597
Energy: 1.437247103742304
Energy: 1.1928371719169546
Energy: 1.4977913907968081
Energy: 1.2076860098668771
Energy: 1.4977913907968081
Energy: 1.1928371719171915
Energy: 1.497791390797045
Energy: 1.1694523219930952
Energy: 1.3583072640568694
Energy: 1.191313534408915
Energy: 1.3583072640571061
Energy: 1.1694523219930952
Energy: 1.3583072640571061
Energy: 1.2093498727090706
Energy: 1.365332507262198
Energy: 1.1934723353638614
Energy: 1.365332507262198
Energy: 1.2093498727090706
Energy: 1.3653325072624347
Energy: 1.191100952301121
Energy: 1.509255834693633
Energy: 1.2074252583693388
Energy: 1.509255834691553
Energy: 1.191100952301121
Energy: 1.5092558346938698
Energy: 1.2074050922283053
Energy: 1.3831406820957024
Energy: 1.1913052575383238
Energy: 1.3831406821021792
Energy: 1.2074050922283053
Energy: 1.3831406820984669
Energy: 1.1692347829464114
Energy: 1.3653342859154505
Energy: 1.2112499659992517
Energy: 1.3653342859156874
Energy: 1.169234782945964
Energy: 1.3653342859156874
Energy: 1.1912726798538378
Energy: 1.4407547264144067
Energy: 1.207451981376791
Energy: 1.440754726413959
Energy: 1.1912726798538378
Energy: 1.4407547264137222
Energy: 1.191162824640012
Energy: 1.4553124740941956
Energy: 1.1911564674860102
Energy: 1.4553124740941956
Energy: 1.191162824640012
Energy: 1.4553124740941956
Energy: 1.2072993364481457
Energy: 1.4402286741346162
Energy: 1.1912188781223956
Energy: 1.4402286741346162
Energy: 1.2072993364486195
Energy: 1.4402286741355377
Energy: 1.2111524655311643
Energy: 1.365293478541227
Energy: 1.1691967276834871
Energy: 1.365293478541227
Energy: 1.2111524655314012
Energy: 1.365293478541227

minimum gb energy = 1.1631759981937597 eV
minimum distance =  2.23073250944206 Angstroms
sigma value = 9


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

Energy: 1.5964552450162461
Energy: 1.5554926515476513
Energy: 1.4612605648434183
Energy: 1.5554926515476513
Energy: 1.5964552450162461
Energy: 1.5554926515483023
Energy: 1.415387886983977
Energy: 1.4900815264989962
Energy: 1.3144473866533117
Energy: 1.4900815264989962
Energy: 1.4153878869826753
Energy: 1.4900815264989962
Energy: 1.2845087046061583
Energy: 1.5088441797496037
Energy: 1.3050845262755129
Energy: 1.5088441797496037
Energy: 1.2845087046061583
Energy: 1.5088441797496037
Energy: 1.2398262525803554
Energy: 1.4746479578301608
Energy: 1.2146970849618155
Energy: 1.474647957830812
Energy: 1.2398262525797044
Energy: 1.474647957830812
Energy: 1.2384476298607394
Energy: 1.4743792651964909
Energy: 1.2152913462518504
Energy: 1.474379265197142
Energy: 1.2384476298607394
Energy: 1.4743792651964909
Energy: 1.2208534505345408
Energy: 1.4246148101782463
Energy: 1.2865399960797181
Energy: 1.4246148101782463
Energy: 1.2208534505345408
Energy: 1.4246148101782463
Energy: 1.476855548589142
Energy: 1.5078783010576202
Energy: 1.3094256640544903
Energy: 1.5078783010576202
Energy: 1.476855548589142
Energy: 1.5078783010576202
Energy: 1.4201742135968383
Energy: 1.4732851790324235
Energy: 1.3952450292822316
Energy: 1.4732851790324235
Energy: 1.4201742135968383
Energy: 1.4732851790324235
Energy: 1.4115234480030843
Energy: 1.5007255097995331
Energy: 1.319025904688079
Energy: 1.5007255097995331
Energy: 1.4115234480024332
Energy: 1.5007255097995331
Energy: 1.4227415951015974
Energy: 1.5243314471376535
Energy: 1.2378974104065132
Energy: 1.5243314471376535
Energy: 1.4227415951022484
Energy: 1.5243314471376535
Energy: 1.4609208849513073
Energy: 1.4967446464634007
Energy: 1.3189294881353801
Energy: 1.4967446464634007
Energy: 1.4609208849526094
Energy: 1.4967446464634007
Energy: 1.2918244695507166
Energy: 1.4727065147136875
Energy: 1.2908560891828265
Energy: 1.4727065147136875
Energy: 1.2918244695507166
Energy: 1.4727065147136875
Energy: 1.2250636393829695
Energy: 1.4245955912263608
Energy: 1.2204722816235145
Energy: 1.4245955912263608
Energy: 1.2250636393829695
Energy: 1.4245955912263608
Energy: 1.4781965102560897
Energy: 1.5448231660367762
Energy: 1.221811163359348
Energy: 1.5448231660361547
Energy: 1.4781965102560897
Energy: 1.5448231660367762
Energy: 1.294631417615731
Energy: 1.4954347652576312
Energy: 1.3437423069557024
Energy: 1.4954347652582825
Energy: 1.294631417615731
Energy: 1.4954347652576312
Energy: 1.3616563006757425
Energy: 1.4772124772948994
Energy: 1.290508657325083
Energy: 1.4772124772948994
Energy: 1.3616563006757425
Energy: 1.4772124772948994
Energy: 1.425045428560768
Energy: 1.5175189964282865
Energy: 1.3133050274006206
Energy: 1.5175189964269844
Energy: 1.425045428560768
Energy: 1.5175189964276354
Energy: 1.2893279710932093
Energy: 1.4281693831421314
Energy: 1.3079606105143058
Energy: 1.4281693831434334
Energy: 1.2893279710938603
Energy: 1.4281693831434334
Energy: 1.422478788986136
Energy: 1.5397523578927006
Energy: 1.2254617087122743
Energy: 1.5397523578927006
Energy: 1.422478788986136
Energy: 1.5397523578927006
Energy: 1.2200491446103885
Energy: 1.5826298387372653
Energy: 1.2222989676608191
Energy: 1.5826298387372653
Energy: 1.2200491446103885
Energy: 1.5826298387372653
Energy: 1.2253307662082904
Energy: 1.539818724047879
Energy: 1.4223772007455813
Energy: 1.539818724047879
Energy: 1.2253307662082904
Energy: 1.539818724047879
Energy: 1.3080153461781572
Energy: 1.4304857362934085
Energy: 1.2896625082719453
Energy: 1.4304857362934085
Energy: 1.308015346177506
Energy: 1.4304857362940595
Energy: 1.3133610400273374
Energy: 1.5173825576963362
Energy: 1.4248528393943805
Energy: 1.5173825576963362
Energy: 1.3133610400279885
Energy: 1.5173825576963362
Energy: 1.2916062589934942
Energy: 1.477500315647564
Energy: 1.362125659577732
Energy: 1.477500315648215
Energy: 1.2916062589934942
Energy: 1.477500315648215
Energy: 1.3502807069859348
Energy: 1.49561173876433
Energy: 1.2942761710707194
Energy: 1.4956117387649812
Energy: 1.3502807069865859
Energy: 1.49561173876433
Energy: 1.2217826535230045
Energy: 1.5453722249950248
Energy: 1.4781405229142448
Energy: 1.5453722249950248
Energy: 1.2217826535249574
Energy: 1.5453722249950248
Energy: 1.2206365334134714
Energy: 1.4251264373858767
Energy: 1.224287447988438
Energy: 1.4251264373858767
Energy: 1.2206365334134714
Energy: 1.4251264373858767
Energy: 1.2851403494437401
Energy: 1.4726759504354336
Energy: 1.2918506845871172
Energy: 1.4726759504354336
Energy: 1.285140349443089
Energy: 1.4726759504347826
Energy: 1.3189273600545486
Energy: 1.4968385013687124
Energy: 1.467753753113288
Energy: 1.4968385013687124
Energy: 1.3189273600545486
Energy: 1.4968385013687124
Energy: 1.2384719894402727
Energy: 1.5248939201334613
Energy: 1.4228402956631325
Energy: 1.5248939201334613
Energy: 1.2384719894402727
Energy: 1.5248939201341123
Energy: 1.3169419547005565
Energy: 1.5007255097995331
Energy: 1.4119996090893558
Energy: 1.500725509798882
Energy: 1.3169419547005565
Energy: 1.5007255097995331
Energy: 1.339142846460821
Energy: 1.4732544176243338
Energy: 1.4200713612993998
Energy: 1.4732544176243338
Energy: 1.33914284646017
Energy: 1.4732544176243338
Energy: 1.3133628881581345
Energy: 1.5078913476717652
Energy: 1.4770010392661241
Energy: 1.507891347672416
Energy: 1.3133628881581345
Energy: 1.5078913476717652
Energy: 1.3147677732556244
Energy: 1.4257006247590223
Energy: 1.2209749086084327
Energy: 1.4257006247596733
Energy: 1.3147677732582284
Energy: 1.4257006247590223
Energy: 1.2142267788247116
Energy: 1.4741985367039279
Energy: 1.2386206734085374
Energy: 1.4741985367039279
Energy: 1.2142267788240606
Energy: 1.4741985367039279
Energy: 1.2155896540148619
Energy: 1.4763915950837965
Energy: 1.2398251230234956
Energy: 1.4763915950837965
Energy: 1.2155896540135598
Energy: 1.4763915950837965
Energy: 1.3053357544678523
Energy: 1.5087041151255183
Energy: 1.2839148268504128
Energy: 1.5087041151255183
Energy: 1.3053357544678523
Energy: 1.5087041151255183
Energy: 1.315621154170245
Energy: 1.4900815264983451
Energy: 1.4156442098876674
Energy: 1.4900815264989962
Energy: 1.315621154170245
Energy: 1.4900815264983451
Energy: 1.4612605648440693
Energy: 1.5554926515476513
Energy: 1.596455245015595
Energy: 1.5554926515476513
Energy: 1.4612605648434183
Energy: 1.5554926515476513
Energy: 1.3144473866539628
Energy: 1.490081526497694
Energy: 1.4153878869826753
Energy: 1.4900815264983451
Energy: 1.3144473866533117
Energy: 1.490081526499647
Energy: 1.3050845262755129
Energy: 1.5088441797496037
Energy: 1.2845087046061583
Energy: 1.5088441797496037
Energy: 1.3050845262755129
Energy: 1.5088441797496037
Energy: 1.2146970849618155
Energy: 1.474647957830812
Energy: 1.2398262525803554
Energy: 1.4746479578301608
Energy: 1.2146970849618155
Energy: 1.4746479578301608
Energy: 1.2152913462525015
Energy: 1.4743792651964909
Energy: 1.2384476298607394
Energy: 1.474379265197142
Energy: 1.2152913462518504
Energy: 1.474379265197142

minimum gb energy = 1.2142267788240606 eV
minimum distance =  2.18515782729905 Angstroms
sigma value = 57


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

Energy: 1.6059552603483331
Energy: 1.5085096081884606
Energy: 1.1620416845723511
Energy: 1.5085096081884606
Energy: 1.6059552603483331
Energy: 1.5085096081884606
Energy: 1.6873087232014952
Energy: 1.4634242881321728
Energy: 1.2056659339350113
Energy: 1.4634242881336548
Energy: 1.6873087232014952
Energy: 1.4634242881321728
Energy: 1.194778238853686
Energy: 1.4660901664108996
Energy: 1.2026242166646723
Energy: 1.4660901664108996
Energy: 1.194778238853686
Energy: 1.4660901664108996
Energy: 1.2832138540856324
Energy: 1.4365964432432963
Energy: 1.3652633789578383
Energy: 1.4365964432432963
Energy: 1.2832138540856324
Energy: 1.4365964432432963
Energy: 1.2012654032676011
Energy: 1.4223103825358776
Energy: 1.2834652452399384
Energy: 1.4223103825343957
Energy: 1.2012654032676011
Energy: 1.4223103825343957
Energy: 1.5774157804591578
Energy: 1.3946289065586346
Energy: 1.1147301916315144
Energy: 1.3946289065586346
Energy: 1.5774157804591578
Energy: 1.3946289065571527
Energy: 1.5748257650836404
Energy: 1.3950817760404333
Energy: 1.1141602448494163
Energy: 1.395081776041915
Energy: 1.5748257650836404
Energy: 1.3950817760404333
Energy: 1.2010646019505444
Energy: 1.4223647373351425
Energy: 1.1727224431890801
Energy: 1.4223647373351425
Energy: 1.2010646019505444
Energy: 1.4223647373336608
Energy: 1.2838024532422503
Energy: 1.4364729093595023
Energy: 1.283274526273258
Energy: 1.4364729093595023
Energy: 1.2838024532422503
Energy: 1.4364729093595023
Energy: 1.1948129821759912
Energy: 1.4399929817058703
Energy: 1.3109483674947178
Energy: 1.4399929817058703
Energy: 1.1948129821759912
Energy: 1.4399929817058703
Energy: 1.6885902588979727
Energy: 1.463424288130691
Energy: 1.2039483405003792
Energy: 1.463424288130691
Energy: 1.6885902588979727
Energy: 1.463424288130691
Energy: 1.6059552603483331
Energy: 1.5085096081884606
Energy: 1.4445295495585693
Energy: 1.5085096081884606
Energy: 1.6059552603483331
Energy: 1.5085096081884606
Energy: 1.6873087232014952
Energy: 1.4634242881321728
Energy: 1.2056659339350113
Energy: 1.4634242881321728
Energy: 1.6873087232014952
Energy: 1.4634242881321728
Energy: 1.194778238855168
Energy: 1.4660901664108996
Energy: 1.2026242166646723
Energy: 1.4660901664108996
Energy: 1.194778238853686
Energy: 1.4660901664108996
Energy: 1.2832138540841505
Energy: 1.4365964432432963
Energy: 1.1973057953209507
Energy: 1.4365964432432963
Energy: 1.2832138540841505
Energy: 1.4365964432432963
Energy: 1.2012654032676011
Energy: 1.4223103825358776
Energy: 1.2834652452414204
Energy: 1.4223103825358776
Energy: 1.2012654032676011
Energy: 1.4223103825358776
Energy: 1.5774157804591578
Energy: 1.3946289065586346
Energy: 1.1147301916315144
Energy: 1.3946289065586346
Energy: 1.5774157804591578
Energy: 1.3946289065586346
Energy: 1.5748257650836404
Energy: 1.3950817760404333
Energy: 1.1141602448494163
Energy: 1.3950817760404333
Energy: 1.5748257650821587
Energy: 1.3950817760389511
Energy: 1.2010646019505444
Energy: 1.4223647373351425
Energy: 1.208524959651716
Energy: 1.4223647373336608
Energy: 1.2010646019505444
Energy: 1.4223647373351425

minimum gb energy = 1.1141602448494163 eV
minimum distance =  2.18009492909035 Angstroms
sigma value = 11


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

Energy: 1.2433408146414338
Energy: 1.3644231332862107
Energy: 1.345881735422388
Energy: 1.3644231332872963
Energy: 1.2433408146414338
Energy: 1.3644231332862107
Energy: 1.719774344421252
Energy: 1.3110052907909462
Energy: 1.0536100076806987
Energy: 1.3110052907876895
Energy: 1.7197743444223375
Energy: 1.3110052907931173
Energy: 1.2277177507528365
Energy: 1.295078296957777
Energy: 1.1992896466077159
Energy: 1.295078296957777
Energy: 1.227717750751751
Energy: 1.2950782969566916
Energy: 1.2523005266146874
Energy: 1.2852463959310592
Energy: 1.0545948735928186
Energy: 1.2852463959310592
Energy: 1.2523005266157732
Energy: 1.2852463959288882
Energy: 1.0527511481646048
Energy: 1.3646869232038148
Energy: 1.0980611995058294
Energy: 1.3646869232049001
Energy: 1.0527511481646048
Energy: 1.3646869232038148
Energy: 1.06639221258366
Energy: 1.349735262783063
Energy: 1.0531989919652354
Energy: 1.3497352627819774
Energy: 1.06639221258366
Energy: 1.349735262783063
Energy: 1.06537839200229
Energy: 1.3826846038949385
Energy: 1.0633885799507214
Energy: 1.3826846038949385
Energy: 1.0653783920012043
Energy: 1.3826846038960239
Energy: 1.4672033018534203
Energy: 1.3605769842620778
Energy: 1.0754956716632114
Energy: 1.3605769842620778
Energy: 1.4672033018534203
Energy: 1.3605769842620778
Energy: 1.4657026592649012
Energy: 1.3578059618529204
Energy: 1.3961515299446383
Energy: 1.3578059618529204
Energy: 1.4657026592649012
Energy: 1.3578059618518348
Energy: 1.0663644877357559
Energy: 1.296329897139451
Energy: 1.0530580582122226
Energy: 1.2963298971427075
Energy: 1.0663644877357559
Energy: 1.2963298971405361
Energy: 1.0656610888750373
Energy: 1.3467492001774806
Energy: 1.064870226789577
Energy: 1.3467492001774806
Energy: 1.0656610888750373
Energy: 1.3467492001774806
Energy: 1.0536945259805086
Energy: 1.3603116643454507
Energy: 1.0543892509999289
Energy: 1.3603116643454507
Energy: 1.0536945259805086
Energy: 1.3603116643454507
Energy: 1.4687273787782058
Energy: 1.1933419333197732
Energy: 1.0982084470237445
Energy: 1.1933419333197732
Energy: 1.4687273787825479
Energy: 1.1933419333186879
Energy: 1.0575400702373499
Energy: 1.2986143900388059
Energy: 1.077904764128737
Energy: 1.2986143900366347
Energy: 1.0575400701896345
Energy: 1.2986143900366347
Energy: 1.7164145652562692
Energy: 1.3118281688424343
Energy: 1.0642033905221593
Energy: 1.31182816884352
Energy: 1.7164145652551837
Energy: 1.31182816884352
Energy: 1.236543587548775
Energy: 1.3599995722441685
Energy: 1.2726597621536344
Energy: 1.3599995722441685
Energy: 1.2365435875498603
Energy: 1.3599995722441685
Energy: 1.7289372178841234
Energy: 1.3100413984580177
Energy: 1.0692137064271994
Energy: 1.3100413984558466
Energy: 1.7289372178841234
Energy: 1.3100413984580177
Energy: 1.0561006169285196
Energy: 1.2985157790905555
Energy: 1.0837948644364388
Energy: 1.2985157790916406
Energy: 1.0561006169306906
Energy: 1.2985157790905555
Energy: 1.2520021192873774
Energy: 1.2849881289137046
Energy: 1.0523192736718707
Energy: 1.284988128912619
Energy: 1.2520021192862916
Energy: 1.284988128912619
Energy: 1.0533157935307529
Energy: 1.3647108497038716
Energy: 1.0711347888675053
Energy: 1.3647108497049572
Energy: 1.0533157935307529
Energy: 1.3647108497038716
Energy: 1.5115389228114182
Energy: 1.3468597345476967
Energy: 1.0576198439233069
Energy: 1.3468597345476967
Energy: 1.5115389228114182
Energy: 1.3468597345476967
Energy: 1.0664680378372244
Energy: 1.3767756135475318
Energy: 1.0611529743883286
Energy: 1.3767756135475318
Energy: 1.0664680378372244
Energy: 1.3767756135475318
Energy: 1.4706152725103507
Energy: 1.3576325745921234
Energy: 1.0743193774105957
Energy: 1.3576325745921234
Energy: 1.4706152725103507
Energy: 1.3576325745921234
Energy: 1.054165034093993
Energy: 1.3654147622564394
Energy: 1.477249102129082
Energy: 1.3654147622553539
Energy: 1.054165034093993
Energy: 1.3654147622564394
Energy: 1.0679169190774684
Energy: 1.2931345470703903
Energy: 1.0567380239782291
Energy: 1.293134547069305
Energy: 1.0679169190774684
Energy: 1.2931345470703903
Energy: 1.0665736416383857
Energy: 1.345210772229458
Energy: 1.0607815509882175
Energy: 1.345210772229458
Energy: 1.0665736416383857
Energy: 1.345210772229458

minimum gb energy = 1.0523192736718707 eV
minimum distance =  2.2388409848024 Angstroms
sigma value = 41


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

Energy: 1.536800360072586
Energy: 1.295843012550304
Energy: 1.2845825547075431
Energy: 1.295843012550304
Energy: 1.5368003600742972
Energy: 1.295843012550304
Energy: 1.939797433249357
Energy: 1.1931410143151988
Energy: 0.9831957606164393
Energy: 1.1931410143143433
Energy: 1.9397974332485013
Energy: 1.1931410143143433
Energy: 1.1245396271884638
Energy: 1.2516023116723598
Energy: 1.014883801233669
Energy: 1.2516023116732153
Energy: 1.1245396271884638
Energy: 1.2516023116723598
Energy: 1.4949503011034764
Energy: 1.1676608515505478
Energy: 0.9830579571549484
Energy: 1.1676608515514033
Energy: 1.4949503011026208
Energy: 1.1676608515514033
Energy: 1.104087541705057
Energy: 1.1796872575440454
Energy: 0.9953391374812576
Energy: 1.1796872575440454
Energy: 1.1040875417042015
Energy: 1.1796872575440454
Energy: 1.2920507907991736
Energy: 1.2308118515123123
Energy: 0.9841913589617429
Energy: 1.2308118515123123
Energy: 1.2920507907991736
Energy: 1.2308118515123123
Energy: 0.9833298202192452
Energy: 1.239438724137799
Energy: 0.9850732819371898
Energy: 1.2394387241386546
Energy: 0.9833298202201007
Energy: 1.239438724137799
Energy: 1.3391814242278528
Energy: 1.2394569924611234
Energy: 1.0027004310422252
Energy: 1.239456992459412
Energy: 1.3391814242278528
Energy: 1.239456992459412
Energy: 0.9986484904992096
Energy: 1.180578160514682
Energy: 1.2937879914966148
Energy: 1.1805781605223826
Energy: 0.9986484905000652
Energy: 1.180578160523238
Energy: 1.3039309200047173
Energy: 1.2394480910171837
Energy: 1.293511368663591
Energy: 1.2394480910180392
Energy: 1.303930920003862
Energy: 1.2394480910171837
Energy: 1.2973614006877277
Energy: 1.2969859744058543
Energy: 1.2974076761271007
Energy: 1.2969859744058543
Energy: 1.2973614006868721
Energy: 1.2969859744049987
Energy: 0.9946278170233139
Energy: 1.2394643230169946
Energy: 1.0043515837926051
Energy: 1.2394643230169946
Energy: 0.9946278170241695
Energy: 1.2394643230169946
Energy: 0.9985517662431997
Energy: 1.2310372136503964
Energy: 1.278640020140989
Energy: 1.2310372136503964
Energy: 0.9985517662431997
Energy: 1.2310372136503964
Energy: 0.9823164855264432
Energy: 1.239476581683435
Energy: 0.9826463762136111
Energy: 1.239476581683435
Energy: 0.9823164855264432
Energy: 1.239476581683435
Energy: 1.3002472662469449
Energy: 1.2313197251670176
Energy: 0.9843148610515516
Energy: 1.2313197251670176
Energy: 1.3002472662460893
Energy: 1.2313197251670176
Energy: 0.9859251753319459
Energy: 1.2403017322909085
Energy: 0.9828581527808522
Energy: 1.2403017322909085
Energy: 0.9859251753319459
Energy: 1.2403017322909085
Energy: 1.2789146664165045
Energy: 1.2573589086868915
Energy: 0.9964147879604034
Energy: 1.2573589086868915
Energy: 1.2789146664165045
Energy: 1.2573589086868915
Energy: 1.0054632381515225
Energy: 1.2394100868892481
Energy: 0.9942928953678645
Energy: 1.2394100868892481
Energy: 1.0054632381540893
Energy: 1.2394100868892481
Energy: 1.7094346783526921
Energy: 1.196785875121125
Energy: 0.9844254439895103
Energy: 1.1967858751262588
Energy: 1.7094346783518364
Energy: 1.1967858751245477
Energy: 1.2939724458327853
Energy: 1.239413781019681
Energy: 1.2964349550804661
Energy: 1.2394137810205366
Energy: 1.2939724458362079
Energy: 1.2394137810188253
Energy: 1.6950585786062211
Energy: 1.1936885242375646
Energy: 0.9960343952964535
Energy: 1.1936885242367088
Energy: 1.6950585786062211
Energy: 1.1936885242384199
Energy: 1.0067279911980709
Energy: 1.23987342851481
Energy: 0.995753645291208
Energy: 1.23987342851481
Energy: 1.0067279911946483
Energy: 1.2398734285156658
Energy: 1.5130350210950179
Energy: 1.1681986841917176
Energy: 0.9846348919102097
Energy: 1.1681986841917176
Energy: 1.5130350210950179
Energy: 1.1681986841917176
Energy: 0.9856682309526451
Energy: 1.2305847845339195
Energy: 1.1442064229509574
Energy: 1.2305847845330635
Energy: 0.9856682309526451
Energy: 1.2305847845330635
Energy: 1.1433214585033997
Energy: 1.2303023650119436
Energy: 0.9830474583996971
Energy: 1.230302365011088
Energy: 1.1433214585033997
Energy: 1.2303023650119436
Energy: 0.9821801809357587
Energy: 1.1676472219866505
Energy: 1.1304089402278201
Energy: 1.1676472219875058
Energy: 0.9821801809357587
Energy: 1.1676472219866505
Energy: 1.3400851440877821
Energy: 1.239342825248835
Energy: 1.0035627992175526
Energy: 1.239342825248835
Energy: 1.3400851440877821
Energy: 1.2393428252496905
Energy: 0.9948960118382361
Energy: 1.2426991885849021
Energy: 1.4855676813377814
Energy: 1.2426991885849021
Energy: 0.9948960118382361
Energy: 1.2426991885849021
Energy: 1.3052352974577115
Energy: 1.2391454984948564
Energy: 1.2924994941765848
Energy: 1.2391454984948564
Energy: 1.305235297460278
Energy: 1.2391454984948564
Energy: 0.9824682940478082
Energy: 1.2092760721024374
Energy: 1.2930362061890854
Energy: 1.2092760721024374
Energy: 0.9824682940478082
Energy: 1.2092760721024374
Energy: 0.995440390590149
Energy: 1.2393298746193764
Energy: 1.0036641832922142
Energy: 1.2393298746193764
Energy: 0.995440390590149
Energy: 1.2393298746193764
Energy: 0.995022511706371
Energy: 1.2990771623413293
Energy: 1.282131802960164
Energy: 1.2990771623404738
Energy: 0.995022511706371
Energy: 1.2990771623413293
Energy: 0.9847011061561666
Energy: 1.2393617101680046
Energy: 0.9850380945608809
Energy: 1.2393617101688603
Energy: 0.9847011061561666
Energy: 1.2393617101688603

minimum gb energy = 0.9821801809357587 eV
minimum distance =  2.23504381965323 Angstroms
sigma value = 33


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

Energy: 1.2708174248290347
Energy: 1.1224310141171585
Energy: 0.9123306635669681
Energy: 1.1224310141177587
Energy: 1.2708174248248314
Energy: 1.1224310141171585
Energy: 1.8457548486404907
Energy: 1.0309122677855307
Energy: 0.886187602160061
Energy: 1.0309122677837295
Energy: 1.8457548486404907
Energy: 1.030912267781928
Energy: 1.2632597967730916
Energy: 1.120459234675184
Energy: 1.0356684556987867
Energy: 1.120459234675184
Energy: 1.263259796773692
Energy: 1.1204592346745834
Energy: 1.7047124337253747
Energy: 1.014673380472639
Energy: 0.8862221404360944
Energy: 1.0146733804708377
Energy: 1.7047124337253747
Energy: 1.014673380470237
Energy: 0.9423631472525449
Energy: 1.0948623587070248
Energy: 0.8874373741402918
Energy: 1.0948623587076252
Energy: 1.6085562934677926
Energy: 1.0948623587076252
Energy: 1.3669300679221141
Energy: 1.065743416107472
Energy: 0.8861391207586848
Energy: 1.065743416107472
Energy: 1.3669300679227143
Energy: 1.0657434161080725
Energy: 0.9232095125665096
Energy: 1.079709812942121
Energy: 0.8834934566867292
Energy: 1.0797098129415201
Energy: 0.9232095125677107
Energy: 1.0797098129415201
Energy: 1.2258625402678316
Energy: 1.069255246975585
Energy: 0.8944507780320897
Energy: 1.0692552469761856
Energy: 1.2258625402660301
Energy: 1.069255246975585
Energy: 0.9017557212435419
Energy: 1.0943491320661234
Energy: 1.1094517393469652
Energy: 1.094349132066724
Energy: 0.9017557212441425
Energy: 1.0943491320661234
Energy: 1.0855033459213643
Energy: 1.0980212155410694
Energy: 1.0963872657896812
Energy: 1.0980212155416698
Energy: 1.0855033459219647
Energy: 1.0980212155410694
Energy: 0.8958775143666652
Energy: 1.0798676793040243
Energy: 1.1157555168754332
Energy: 1.0798676793034239
Energy: 0.8958775143660648
Energy: 1.0798676793040243
Energy: 1.386723077984695
Energy: 1.113897273235836
Energy: 1.1126732036509912
Energy: 1.113897273235836
Energy: 1.3867230779858961
Energy: 1.113897273235836
Energy: 1.0900636864898121
Energy: 1.094430478345955
Energy: 1.3926417905174029
Energy: 1.0944304783465557
Energy: 1.090063686491013
Energy: 1.0944304783465557
Energy: 1.0981018525760788
Energy: 1.115035127268911
Energy: 1.3933760021197894
Energy: 1.1150351272683106
Energy: 1.0981018525766797
Energy: 1.115035127268911
Energy: 1.0983196615680622
Energy: 1.0711819637146514
Energy: 1.3944436902216237
Energy: 1.0711819637146514
Energy: 1.0983196615674615
Energy: 1.0711819637134505
Energy: 1.0939373822597749
Energy: 1.114557445332452
Energy: 1.1168623928471342
Energy: 1.114557445332452
Energy: 1.0939373822597749
Energy: 1.1145574453330525
Energy: 1.087197911986416
Energy: 1.095253213476407
Energy: 1.3971745416177979
Energy: 1.0952532134770072
Energy: 1.087197911986416
Energy: 1.095253213476407
Energy: 0.8830942870552693
Energy: 1.1141156558697207
Energy: 1.1026531638535526
Energy: 1.1141156558697207
Energy: 0.8830942870552693
Energy: 1.1141156558697207
Energy: 1.0975084358114584
Energy: 1.0927131924044602
Energy: 1.1045977573933352
Energy: 1.0927131924038598
Energy: 1.0975084358120588
Energy: 1.0927131924038598
Energy: 0.8919204938141693
Energy: 1.1148033546435758
Energy: 0.8951801423321066
Energy: 1.1148033546441765
Energy: 0.8919204938141693
Energy: 1.1148033546435758
Energy: 1.0906267814917108
Energy: 1.092750286696476
Energy: 1.0832221298612181
Energy: 1.0927502866976768
Energy: 1.0906267814911101
Energy: 1.092750286696476
Energy: 0.8967351436212424
Energy: 1.1142904878493378
Energy: 0.8864269867984872
Energy: 1.1142904878493378
Energy: 0.8967351436212424
Energy: 1.1142904878487372
Energy: 1.3747879199740842
Energy: 1.1036771939122825
Energy: 0.8831650457102901
Energy: 1.103677193911682
Energy: 1.3747879199746849
Energy: 1.1036771939134835
Energy: 0.9238563215694067
Energy: 1.114157429950407
Energy: 0.8861717720591105
Energy: 1.1141574299516077
Energy: 0.9238563215700072
Energy: 1.114157429950407
Energy: 1.370396158499275
Energy: 1.0945215973802656
Energy: 1.091685776175658
Energy: 1.0945215973802656
Energy: 1.3703961584974735
Energy: 1.0945215973808662
Energy: 1.1244713097962662
Energy: 1.1142319812339094
Energy: 0.8903916614862245
Energy: 1.1142319812345096
Energy: 1.1244713097950654
Energy: 1.1142319812345096
Energy: 1.8463072105693596
Energy: 1.0444826172088328
Energy: 0.8831513262409878
Energy: 1.0444826172070314
Energy: 1.84630721056996
Energy: 1.0444826172082324
Energy: 1.1408081395524756
Energy: 1.1141717255849213
Energy: 1.1071299122642282
Energy: 1.1141717255843204
Energy: 1.1408081395488727
Energy: 1.1141717255855217
Energy: 1.524131119787831
Energy: 1.0853437586739325
Energy: 1.0911802989393686
Energy: 1.0853437586751333
Energy: 1.5241311197890317
Energy: 1.0853437586727315
Energy: 1.1267986887002834
Energy: 1.1137282548912364
Energy: 1.1062083501867226
Energy: 1.1137282548906362
Energy: 1.1267986886930776
Energy: 1.1137282548912364
Energy: 1.5306354535401199
Energy: 1.015784108246913
Energy: 0.8830276751487066
Energy: 1.0157841082427097
Energy: 1.5306354535401199
Energy: 1.0157841082439107
Energy: 0.9265673062100993
Energy: 1.0979581386296025
Energy: 1.1150356443435527
Energy: 1.0979581386296025
Energy: 0.9265673062106997
Energy: 1.0979581386290018
Energy: 1.2268783268745336
Energy: 1.0662951101243154
Energy: 0.8914833465069547
Energy: 1.0662951101243154
Energy: 1.2268783268745336
Energy: 1.0662951101243154
Energy: 0.9029130669088841
Energy: 1.0688692513891032
Energy: 1.4065793308440055
Energy: 1.0688692513891032
Energy: 0.9029130669088841
Energy: 1.0688692513885028
Energy: 1.4066851515773824
Energy: 1.0690110641037394
Energy: 0.9030287818232898
Energy: 1.069011064102538
Energy: 1.4066851515773824
Energy: 1.0690110641043395
Energy: 0.8914565932921922
Energy: 1.0657623447353277
Energy: 1.226578661473785
Energy: 1.0657623447353277
Energy: 0.8914565932927925
Energy: 1.0657623447353277
Energy: 1.1153566297752862
Energy: 1.0979408607384442
Energy: 0.923700895681984
Energy: 1.0979408607384442
Energy: 1.1153566297752862
Energy: 1.0979408607378438
Energy: 0.8830566522571023
Energy: 1.0144536023087543
Energy: 1.5296565817444077
Energy: 1.0144536023093549
Energy: 0.8830566522571023
Energy: 1.0144536023087543
Energy: 1.1062083501843207
Energy: 1.113711599795597
Energy: 1.1260227569676502
Energy: 1.113711599796198
Energy: 1.1062083501843207
Energy: 1.113711599796198
Energy: 0.9954662174717953
Energy: 1.0850234251700939
Energy: 1.5238165696624333
Energy: 1.0850234251682924
Energy: 0.9954662174699939
Energy: 1.0850234251694932
Energy: 1.101533330536506
Energy: 1.114207302076499
Energy: 1.1433808367292095
Energy: 1.1142073020758987
Energy: 1.1015333306439365
Energy: 1.1142073020770997
Energy: 0.8830834768168989
Energy: 1.0452508043991833
Energy: 1.8467116094622245
Energy: 1.0452508043997835
Energy: 0.8830834768174994
Energy: 1.0452508043991833
Energy: 0.890017048242905
Energy: 1.1141705878455774
Energy: 1.1215815307902872
Energy: 1.1141705878467782
Energy: 0.890017048241704
Energy: 1.1141705878455774
Energy: 0.9958644478496819
Energy: 1.0944885744960506
Energy: 1.372651091653886
Energy: 1.0944885744966513
Energy: 0.9958644478490812
Energy: 1.0944885744966513
Energy: 0.886121036654587
Energy: 1.1141018074603826
Energy: 0.9266746584941635
Energy: 1.1141018074615834
Energy: 0.886121036654587
Energy: 1.1141018074603826
Energy: 0.8830937008245476
Energy: 1.103677193912883
Energy: 1.373644199201787
Energy: 1.1036771939122825
Energy: 0.8830937008251482
Energy: 1.103677193912883
Energy: 0.886311821051829
Energy: 1.11431038823569
Energy: 0.9032473112000201
Energy: 1.1143103882344891
Energy: 0.8863118210524294
Energy: 1.11431038823569

minimum gb energy = 0.8830276751487066 eV
minimum distance =  2.23346668311808 Angstroms
sigma value = 67


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

Energy: 0.33982692548916216
Energy: 0.2942833414623907
Energy: 1.03664094973204
Energy: 0.2942833414623907
Energy: 0.33982692548916216
Energy: 0.2942833414620031
Energy: 0.27813749169400476
Energy: 0.7048538122746919
Energy: 0.7146885507576624
Energy: 0.7048538122746919
Energy: 0.27813749169400476
Energy: 0.7048538122746919
Energy: 0.33982692548916216
Energy: 0.2942833414623907
Energy: 1.0366409496104818
Energy: 0.2942833414623907
Energy: 0.33982692548916216
Energy: 0.2942833414620031
Energy: 0.27813749169439245
Energy: 0.7048538122751024
Energy: 0.71469288841834
Energy: 0.7048538122746919
Energy: 0.27813749169400476
Energy: 0.7048538122751024
Energy: 0.3398269254895726
Energy: 0.2942833414623907
Energy: 1.036640949417941
Energy: 0.2942833414615926
Energy: 0.33982692548916216
Energy: 0.2942833414620031
Energy: 0.27813749169439245
Energy: 0.7048538122751024
Energy: 0.7146889422487018
Energy: 0.7048538122746919
Energy: 0.27813749169439245
Energy: 0.7048538122751024
Energy: 0.33982692548916216
Energy: 0.2942833414620031
Energy: 1.0366409489526185
Energy: 0.2942833414623907
Energy: 0.33982692548916216
Energy: 0.2942833414623907

minimum gb energy = 0.27813749169400476 eV
minimum distance =  2.400581954721 Angstroms
sigma value = 3


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

Energy: 1.4961622391668308
Energy: 1.1201468712100429
Energy: 1.2326361303696503
Energy: 1.1201468712100429
Energy: 1.4961622391810299
Energy: 1.1201468712100429
Energy: 1.8856577754417798
Energy: 0.8778653955727448
Energy: 0.8701448891360161
Energy: 0.8778653955711065
Energy: 1.8856577754417798
Energy: 0.8778653955727448
Energy: 1.4788500928796438
Energy: 1.097351671721668
Energy: 1.137128508342658
Energy: 1.097351671721668
Energy: 1.4788500928790975
Energy: 1.097351671721668
Energy: 1.5942940235706127
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Energy: 0.8530915153320053
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Energy: 1.1710598261854024
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Energy: 1.43227782104431
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Energy: 0.912406284406596
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Energy: 1.4322778210437637
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Energy: 1.0880694816506116
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Energy: 1.073020123597038
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Energy: 1.0843004703758654
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Energy: 0.9101494286277743
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Energy: 0.9225757330501013
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Energy: 1.0673130287535335
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Energy: 1.0673130287540797
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Energy: 0.9463867184447182
Energy: 1.0682775270275895
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Energy: 1.166045499918344
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Energy: 1.1454788183973812
Energy: 1.0827364673194204
Energy: 1.1621749523699816
Energy: 1.0827364673188744
Energy: 1.1454788183984732
Energy: 1.0827364673199666
Energy: 0.9188345520720161
Energy: 1.0384105229124563
Energy: 1.44665301454098
Energy: 1.03841052291191
Energy: 0.91883455207147
Energy: 1.0384105229130023
Energy: 0.9220026941503223
Energy: 1.07600159492404
Energy: 1.1809203030797037
Energy: 1.07600159492404
Energy: 0.9220026941503223
Energy: 1.07600159492404
Energy: 0.877157826678892
Energy: 1.0101882593755989
Energy: 1.4486653909855252
Energy: 1.0101882593739604
Energy: 0.8771578266783459
Energy: 1.0101882593750526
Energy: 0.9224027510377206
Energy: 1.0890328537817218
Energy: 1.4594809177543262
Energy: 1.0890328537811758
Energy: 0.9224027510377206
Energy: 1.0890328537811758
Energy: 0.8695289913466592
Energy: 0.9217325894437776
Energy: 1.6675194819089172
Energy: 0.9217325894432314
Energy: 0.8695289913472053
Energy: 0.9217325894443238
Energy: 0.8671571545929684
Energy: 1.0978322320811762
Energy: 1.4040252169408791
Energy: 1.0978322320806302
Energy: 0.8671571545935146
Energy: 1.0978322320806302
Energy: 0.8584335904044895
Energy: 0.9222049618420635
Energy: 1.5265791521706686
Energy: 0.9222049618382406
Energy: 0.8584335904044895
Energy: 0.9222049618371485
Energy: 0.9244349270602507
Energy: 1.091069373277064
Energy: 1.4576999847907501
Energy: 1.0910693732776102
Energy: 0.9244349270602507
Energy: 1.0910693732781562
Energy: 0.8730827652417745
Energy: 0.9141193876217373
Energy: 1.600091492024076
Energy: 0.9141193876217373
Energy: 0.8730827652423205
Energy: 0.9141193876211912
Energy: 0.9164641101012496
Energy: 1.0779402787968217
Energy: 1.1801507706216379
Energy: 1.0779402787962757
Energy: 0.9164641101012496
Energy: 1.0779402787957293
Energy: 0.9284880433292502
Energy: 1.0372906936472792
Energy: 1.3246745362173749
Energy: 1.0372906936478254
Energy: 0.9284880433292502
Energy: 1.0372906936472792
Energy: 1.1752852819313935
Energy: 1.0670030416621523
Energy: 1.1615878235510033
Energy: 1.0670030416621523
Energy: 1.1752852819313935
Energy: 1.0670030416621523

minimum gb energy = 0.8530915153320053 eV
minimum distance =  2.26116494266681 Angstroms
sigma value = 81


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

Energy: 1.4916872250588957
Energy: 1.266931976361095
Energy: 1.34974286076
Energy: 1.2669319763618447
Energy: 1.4916872250588957
Energy: 1.2669319763618447
Energy: 1.7740756673736213
Energy: 0.9863871323265304
Energy: 0.9720282915913458
Energy: 0.9863871323287792
Energy: 1.7740756673736213
Energy: 0.9863871323280295
Energy: 1.410970359434527
Energy: 1.247084546543357
Energy: 1.0913529987423563
Energy: 1.247084546543357
Energy: 1.4109703594337775
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Energy: 1.3581491296538282
Energy: 1.028714402034261
Energy: 0.9742190802681752
Energy: 1.028714402034261
Energy: 1.3581491296515795
Energy: 1.028714402034261
Energy: 1.0994778307942144
Energy: 1.2176133176381894
Energy: 1.0342831517263509
Energy: 1.21761331763744
Energy: 1.0994778307942144
Energy: 1.21761331763744
Energy: 1.2058975827987974
Energy: 1.193522668580515
Energy: 1.0428048676845476
Energy: 1.1935226685797653
Energy: 1.2058975827987974
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Energy: 1.0588940277875452
Energy: 1.219972817825877
Energy: 1.2357520788891492
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Energy: 1.0588940277875452
Energy: 1.2199728178251275
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Energy: 1.1948305347688186
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Energy: 1.033012075352088
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Energy: 0.9554115476840563
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Energy: 1.3732662860847356
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Energy: 0.9661723719550455
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Energy: 1.7638630491954381
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Energy: 0.9661723719550455
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Energy: 1.0435005901147938
Energy: 1.2195030884488285
Energy: 1.3804292605025452
Energy: 1.2195030884488285
Energy: 1.0435005901147938
Energy: 1.2195030884488285
Energy: 1.0435870980824582
Energy: 1.1780103502151689
Energy: 1.3586491445236728
Energy: 1.1780103502144192
Energy: 1.0435870980824582
Energy: 1.1780103502151689
Energy: 1.0425557354279447
Energy: 1.2279103776738023
Energy: 1.0868207959969924
Energy: 1.2279103776738023
Energy: 1.042555735428694
Energy: 1.2279103776730527
Energy: 1.0427171915725129
Energy: 1.192829088072669
Energy: 1.3663106977218642
Energy: 1.192829088072669
Energy: 1.0427171915725129
Energy: 1.1928290880719197
Energy: 1.3574965322096468
Energy: 1.2070889144894321
Energy: 1.043139402089361
Energy: 1.207088914490182
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Energy: 1.3576094719592564
Energy: 1.2259241997526067
Energy: 1.0332778570863062
Energy: 1.225924199753356
Energy: 1.3576094719592564
Energy: 1.2259241997526067
Energy: 1.377856217394198
Energy: 1.22778811276579
Energy: 0.9743825542239303
Energy: 1.22778811276579
Energy: 1.377856217394198
Energy: 1.22778811276579
Energy: 1.3775008858159437
Energy: 1.2168664460774163
Energy: 1.2025022776903995
Energy: 1.2168664460774163
Energy: 1.377500885817443
Energy: 1.2168664460774163
Energy: 1.7646838493975803
Energy: 1.1723196344340758
Energy: 0.9614931843733849
Energy: 1.1723196344340758
Energy: 1.7646838493975803
Energy: 1.1723196344340758
Energy: 1.764676233012881
Energy: 1.2149675583158177
Energy: 0.9604048919310496
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Energy: 1.764676233012881
Energy: 1.2149675583158177
Energy: 1.3776079285274994
Energy: 1.2284524587509185
Energy: 1.126475089091557
Energy: 1.2284524587501688
Energy: 1.3776079285274994
Energy: 1.2284524587546661
Energy: 1.3776347020193829
Energy: 1.228029325218577
Energy: 0.9781929082956997
Energy: 1.228029325218577
Energy: 1.3776347020193829
Energy: 1.228029325218577
Energy: 1.3575945464696528
Energy: 1.2260893868552638
Energy: 1.0330583423919129
Energy: 1.2260893868560134
Energy: 1.3575945464696528
Energy: 1.2260893868560134
Energy: 1.3575088012771739
Energy: 1.2070978220544901
Energy: 1.0431850825504643
Energy: 1.2070978220552397
Energy: 1.3575088012764245
Energy: 1.2070978220544901
Energy: 1.0426610248339727
Energy: 1.1939602704701944
Energy: 1.1977229522976993
Energy: 1.1939602704701944
Energy: 1.0426610248332233
Energy: 1.1939602704701944
Energy: 1.0427152555305863
Energy: 1.2279504231870608
Energy: 1.0868874885115511
Energy: 1.2279504231870608
Energy: 1.0427152555305863
Energy: 1.2279504231863112
Energy: 1.043170405442738
Energy: 1.1780103502159185
Energy: 1.3581372195701333
Energy: 1.1780103502151689
Energy: 1.0431704054434874
Energy: 1.1780103502151689
Energy: 1.0432500733564152
Energy: 1.2193013185137913
Energy: 1.3865521752550247
Energy: 1.2193013185152908
Energy: 1.0432500733564152
Energy: 1.219301318513042
Energy: 0.9682384309031137
Energy: 1.1892416339448817
Energy: 1.5039924378075864
Energy: 1.1892416339448817
Energy: 0.9682384309031137
Energy: 1.1892416339448817
Energy: 0.9618547026472255
Energy: 1.227923455434388
Energy: 1.3727834386169657
Energy: 1.227923455434388
Energy: 0.9618547026487246
Energy: 1.227923455434388
Energy: 0.9687240971295809
Energy: 1.0327335955428931
Energy: 1.4958774047387438
Energy: 1.032733595541394
Energy: 0.9687240971303305
Energy: 1.0327335955421437
Energy: 1.0556616158606404
Energy: 1.2296066108039365
Energy: 1.3789869272022623
Energy: 1.2296066108039365
Energy: 1.0556616158606404
Energy: 1.2296066108039365
Energy: 0.9744455055880917
Energy: 1.0797751565532039
Energy: 1.4160709294573
Energy: 1.0797751565539535
Energy: 0.9744455055880917
Energy: 1.0797751565532039
Energy: 1.0330359843950583
Energy: 1.1948100995101096
Energy: 1.0866188079371855
Energy: 1.1948100995108593
Energy: 1.033035984397307
Energy: 1.1948100995108593
Energy: 1.059293813657429
Energy: 1.2241874413376599
Energy: 1.2090837172076165
Energy: 1.2241874413376599
Energy: 1.0592938136581782
Energy: 1.2241874413384093

minimum gb energy = 0.9554115476840563 eV
minimum distance =  2.18040291373148 Angstroms
sigma value = 43


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

Energy: 1.5305340811269676
Energy: 1.3495249994344733
Energy: 1.179136225120837
Energy: 1.3495249994344733
Energy: 1.5305340811269676
Energy: 1.349524999435394
Energy: 1.675516845666893
Energy: 1.0780159517670984
Energy: 1.0402302673657606
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Energy: 1.675516845667814
Energy: 1.0780159517661774
Energy: 1.0934972267874143
Energy: 1.3193466354116123
Energy: 1.2331779303233645
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Energy: 1.2159508810206623
Energy: 1.0392886256179028
Energy: 1.0407715139292895
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Energy: 1.2159508810197415
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Energy: 1.3239767378875535
Energy: 1.1462199108473377
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Energy: 1.297032463455629
Energy: 1.0332487187094797
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Energy: 1.1832323059553853
Energy: 1.2360316930935298
Energy: 1.1832323059544645
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Energy: 1.2900923575349246
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Energy: 1.042831682516072
Energy: 1.1929141831103243
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Energy: 1.042831682516072
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Energy: 1.0334657444242912
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Energy: 1.033004986843187
Energy: 1.327179015150098
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Energy: 1.327179015150098
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Energy: 1.2904646583752581
Energy: 1.0742795894115191
Energy: 1.2904646583752581
Energy: 1.040655245422603
Energy: 1.2904646583761787
Energy: 1.0431780333566782
Energy: 1.024748631698499
Energy: 1.327192426270186
Energy: 1.0247486316975782
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Energy: 1.033353921249894
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Energy: 1.0316261411365228
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Energy: 1.0331639485367607
Energy: 1.2969072934790447
Energy: 1.0236771318489084
Energy: 1.2969072934790447
Energy: 1.0331639485376813
Energy: 1.2969072934790447
Energy: 1.404588498806571
Energy: 1.1759686451286862
Energy: 1.0409107898002297
Energy: 1.1759686451296067
Energy: 1.404588498806571
Energy: 1.1759686451268447
Energy: 1.4055615845223404
Energy: 1.2901152557967408
Energy: 1.335533182709918
Energy: 1.2901152557967408
Energy: 1.4055615845223404
Energy: 1.2901152557967408
Energy: 1.4380598735336794
Energy: 1.3216043959861312
Energy: 1.033413431129937
Energy: 1.3216043959861312
Energy: 1.4380598735336794
Energy: 1.3216043959861312
Energy: 1.438895839804206
Energy: 1.3229022249939053
Energy: 1.0337832651117116
Energy: 1.3229022249939053
Energy: 1.4388958398032852
Energy: 1.3229022249939053
Energy: 1.4046244836581365
Energy: 1.3385366480353325
Energy: 1.032595506640906
Energy: 1.3385366480353325
Energy: 1.4046244836581365
Energy: 1.3385366480353325
Energy: 1.4055282906219846
Energy: 1.3561432335557748
Energy: 1.0325496707230095
Energy: 1.3561432335557748
Energy: 1.4055282906219846
Energy: 1.3561432335557748
Energy: 1.0316435486963247
Energy: 1.297176240775575
Energy: 1.0251471721760073
Energy: 1.297176240775575
Energy: 1.0316435486963247
Energy: 1.297176240775575
Energy: 1.0331531209687326
Energy: 1.3131496121960347
Energy: 1.0319248673765926
Energy: 1.3131496121960347
Energy: 1.0331531209687326
Energy: 1.3131496121960347
Energy: 1.0410002174004505
Energy: 1.3227697380900663
Energy: 1.0313212133625147
Energy: 1.3227697380900663
Energy: 1.0410002174004505
Energy: 1.3227697380900663
Energy: 1.0430751268836669
Energy: 1.3561814699794066
Energy: 1.0762764754953242
Energy: 1.3561814699794066
Energy: 1.0430751268836669
Energy: 1.3561814699794066
Energy: 1.033837815735856
Energy: 1.3256769919620166
Energy: 1.4047885152126234
Energy: 1.3256769919620166
Energy: 1.033837815735856
Energy: 1.3256769919620166
Energy: 1.0332875488710787
Energy: 1.323241451494193
Energy: 1.438138805985932
Energy: 1.323241451494193
Energy: 1.0332875488710787
Energy: 1.323241451494193
Energy: 1.0437944691863583
Energy: 1.328424135559983
Energy: 1.2960982465666453
Energy: 1.328424135559983
Energy: 1.043794469187279
Energy: 1.3284241355590622
Energy: 1.0605472064221624
Energy: 1.289980944306563
Energy: 1.0762683873411552
Energy: 1.2899809443056425
Energy: 1.0605472064221624
Energy: 1.2899809443056425
Energy: 1.0335576874634007
Energy: 1.1775654999501495
Energy: 1.2249262766623275
Energy: 1.1775654999501495
Energy: 1.0335576874634007
Energy: 1.17756549995107
Energy: 1.046154590799857
Energy: 1.2973275459472335
Energy: 1.0316532611783564
Energy: 1.2973275459472335
Energy: 1.046154590799857
Energy: 1.2973275459472335

minimum gb energy = 1.0236771318489084 eV
minimum distance =  2.23091805536394 Angstroms
sigma value = 57


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

Energy: 1.2070480103522359
Energy: 1.4583205262681223
Energy: 1.5842750179848144
Energy: 1.4583205262681223
Energy: 1.2070480103522359
Energy: 1.4583205262681223
Energy: 1.4097652772216258
Energy: 1.2019342083195805
Energy: 1.1206194406298065
Energy: 1.2019342083195805
Energy: 1.4097652772216258
Energy: 1.201934208324349
Energy: 1.13665009606478
Energy: 1.4483195864887461
Energy: 1.3312495765020784
Energy: 1.4483195864887461
Energy: 1.13665009606478
Energy: 1.4483195864887461
Energy: 1.144038231126679
Energy: 1.134335345399638
Energy: 1.1240643688796195
Energy: 1.13433534540083
Energy: 1.144038231126679
Energy: 1.134335345399638
Energy: 1.1203468000211327
Energy: 1.1477329037892754
Energy: 1.1263125164854368
Energy: 1.1477329037880835
Energy: 1.1203468000211327
Energy: 1.1477329037880835
Energy: 1.1539672145463409
Energy: 1.435077829175236
Energy: 1.124197645394818
Energy: 1.435077829175236
Energy: 1.1539672145463409
Energy: 1.435077829175236
Energy: 1.1344552317568153
Energy: 1.3163955573578918
Energy: 1.4090288762275294
Energy: 1.3163955573578918
Energy: 1.1344552317568153
Energy: 1.3163955573578918
Energy: 1.1324659510910147
Energy: 1.4451226068164804
Energy: 1.185971183498618
Energy: 1.4451226068164804
Energy: 1.1324659510910147
Energy: 1.4451226068164804
Energy: 1.1206313573465223
Energy: 1.1975316228638062
Energy: 1.404348178415249
Energy: 1.1975316228649984
Energy: 1.1206313573465223
Energy: 1.1975316228638062
Energy: 1.1397916965689316
Energy: 1.4343915900470003
Energy: 1.1241716482386834
Energy: 1.4343915900470003
Energy: 1.1397916965689316
Energy: 1.4343915900470003
Energy: 1.1339587770468262
Energy: 1.1324875627502249
Energy: 1.1260965018800846
Energy: 1.132487562751417
Energy: 1.1339587770456343
Energy: 1.1324875627502249
Energy: 1.1209941021507137
Energy: 1.3066666503841926
Energy: 1.1239951214221802
Energy: 1.3066666503841926
Energy: 1.1209941021507137
Energy: 1.3066666503853848
Energy: 1.1208372795145638
Energy: 1.4350667797961252
Energy: 1.179896408482445
Energy: 1.4350667797961252
Energy: 1.1208372795145638
Energy: 1.4350667797973171
Energy: 1.3923222926182395
Energy: 1.303481022752181
Energy: 1.1309687018420083
Energy: 1.303481022752181
Energy: 1.3923222926182395
Energy: 1.303481022752181
Energy: 1.6476004496456758
Energy: 1.442024007805281
Energy: 1.131443149958578
Energy: 1.442024007805281
Energy: 1.6476004496456758
Energy: 1.442024007805281
Energy: 1.1212340017817077
Energy: 1.4665042884917037
Energy: 1.120862280775624
Energy: 1.4665042884905115
Energy: 1.1212340017817077
Energy: 1.4665042884917037
Energy: 1.1210977443983023
Energy: 1.3163610858597847
Energy: 1.133306981577027
Energy: 1.3163610858597847
Energy: 1.1210977443983023
Energy: 1.3163610858597847
Energy: 1.1321445528364462
Energy: 1.3301593451120068
Energy: 1.1320194569352682
Energy: 1.3301593451120068
Energy: 1.1321445528364462
Energy: 1.3301593451120068
Energy: 1.1332896914279464
Energy: 1.3167658548966186
Energy: 1.1211193861944475
Energy: 1.3167658548966186
Energy: 1.1332896914279464
Energy: 1.3167658548966186
Energy: 1.120781250312367
Energy: 1.4666840096503493
Energy: 1.1214848767267975
Energy: 1.4666840096503493
Energy: 1.120781250312367
Energy: 1.4666840096503493
Energy: 1.131889418728384
Energy: 1.442171548809416
Energy: 1.64758312213522
Energy: 1.442171548809416
Energy: 1.131889418728384
Energy: 1.442171548809416
Energy: 1.131270914193568
Energy: 1.3137309336386203
Energy: 1.3925334630595252
Energy: 1.3137309336374283
Energy: 1.131270914193568
Energy: 1.3137309336374283
Energy: 1.1510299221501143
Energy: 1.435219556136763
Energy: 1.1207340938072141
Energy: 1.435219556136763
Energy: 1.1510299221501143
Energy: 1.435219556136763
Energy: 1.1239960137933056
Energy: 1.30629288663574
Energy: 1.1209930243669166
Energy: 1.30629288663574
Energy: 1.1239960137933056
Energy: 1.30629288663574

minimum gb energy = 1.1203468000211327 eV
minimum distance =  2.2224867232411 Angstroms
sigma value = 17


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

Energy: 1.241153714836345
Energy: 1.241438696154666
Energy: 1.5966999203160381
Energy: 1.241438696154666
Energy: 1.241153714836345
Energy: 1.2414386961563517
Energy: 1.2663379820936052
Energy: 1.2575665327374874
Energy: 1.2414436297198372
Energy: 1.2575665327374874
Energy: 1.2663379820919194
Energy: 1.2575665327374874
Energy: 1.2578418547868262
Energy: 1.2573261764684298
Energy: 1.4360768669617034
Energy: 1.2573261764667438
Energy: 1.257841854788512
Energy: 1.2573261764684298
Energy: 1.2543315208160575
Energy: 1.2511249356166647
Energy: 1.240700323006859
Energy: 1.2511249356166647
Energy: 1.2543315208160575
Energy: 1.2511249356183505
Energy: 1.2416495594622503
Energy: 1.2565945698650032
Energy: 1.5053902392417973
Energy: 1.2565945698666887
Energy: 1.2416495594622503
Energy: 1.2565945698666887
Energy: 1.2438264115959898
Energy: 1.241510118426469
Energy: 1.225436156178941
Energy: 1.241510118426469
Energy: 1.2438264115959898
Energy: 1.241510118426469
Energy: 1.246232618238413
Energy: 1.3812342061638696
Energy: 1.2651045377900747
Energy: 1.3812342061722989
Energy: 1.246232618238413
Energy: 1.381234206170613
Energy: 1.245919432913719
Energy: 1.3539101347153186
Energy: 1.240449090766601
Energy: 1.3539101347136326
Energy: 1.245919432915405
Energy: 1.3539101347153186
Energy: 1.2416911080768835
Energy: 1.2515182829946243
Energy: 1.3313837936158646
Energy: 1.2515182829929385
Energy: 1.2416911080768835
Energy: 1.2515182829946243
Energy: 1.2255778725649868
Energy: 1.2147706872567579
Energy: 1.2485561810769419
Energy: 1.2147706872567579
Energy: 1.2255778725649868
Energy: 1.2147706872584436
Energy: 1.2264646107759414
Energy: 1.4483619883203793
Energy: 1.2412841785881301
Energy: 1.448361988322065
Energy: 1.2264646107759414
Energy: 1.448361988322065
Energy: 1.2481995725256494
Energy: 1.2491048834672696
Energy: 1.2422387138634794
Energy: 1.2491048834672696
Energy: 1.2481995725256494
Energy: 1.2491048834655836
Energy: 1.2417915735567622
Energy: 1.3554868927386476
Energy: 1.24295892700537
Energy: 1.3554868927386476
Energy: 1.2417915735567622
Energy: 1.3554868927386476
Energy: 1.2452871542127426
Energy: 1.2503005685195951
Energy: 1.2524488517678556
Energy: 1.2503005685195951
Energy: 1.2452871542127426
Energy: 1.2503005685195951
Energy: 1.247062203744908
Energy: 1.4610026584785558
Energy: 1.225672753261696
Energy: 1.4610026584785558
Energy: 1.247062203746594
Energy: 1.4610026584785558
Energy: 1.2435077692842509
Energy: 1.4495495380101775
Energy: 1.227344427485515
Energy: 1.4495495378399814
Energy: 1.2435077692842509
Energy: 1.4495495378231227
Energy: 1.242098676212687
Energy: 1.249903469814699
Energy: 1.2482647499746324
Energy: 1.249903469814699
Energy: 1.242098676212687
Energy: 1.249903469814699

minimum gb energy = 1.2147706872567579 eV
minimum distance =  2.23297213873865 Angstroms
sigma value = 17


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

Energy: 1.6842317394938022
Energy: 1.671172040675766
Energy: 1.7456875021136122
Energy: 1.671172040675766
Energy: 1.6842317395081245
Energy: 1.671172040675766
Energy: 1.5046381830368505
Energy: 1.2911507760982959
Energy: 1.2761574044703117
Energy: 1.291150776097645
Energy: 1.5046381830329443
Energy: 1.2911507760982959
Energy: 1.282400434581538
Energy: 1.3605321716515413
Energy: 1.3046456224333693
Energy: 1.3605321716515413
Energy: 1.282400434581538
Energy: 1.3605321716515413
Energy: 1.311435969477326
Energy: 1.5476686684991714
Energy: 1.3234806333460505
Energy: 1.5476686684985204
Energy: 1.3114359694799302
Energy: 1.5476686684985204
Energy: 1.2847318734133544
Energy: 1.3416086242942615
Energy: 1.518777999603976
Energy: 1.3416086242936105
Energy: 1.2847318734133544
Energy: 1.3416086242890535
Energy: 1.340328519652361
Energy: 1.556733661280252
Energy: 1.3408601666240585
Energy: 1.55673366127895
Energy: 1.340328519652361
Energy: 1.556733661278299
Energy: 1.2752730455407506
Energy: 1.344805746767833
Energy: 1.5085609017715227
Energy: 1.3448057467665309
Energy: 1.2752730455407506
Energy: 1.34480574677239
Energy: 1.6009690099624452
Energy: 1.4219009823759883
Energy: 1.2787426647909121
Energy: 1.4219009823753372
Energy: 1.600969009963096
Energy: 1.4219009823766393
Energy: 1.3505666508448744
Energy: 1.6218111359570828
Energy: 1.3015206079842871
Energy: 1.6218111359570828
Energy: 1.3505666508455254
Energy: 1.6218111359570828
Energy: 1.6011638916818616
Energy: 1.3415807467778993
Energy: 1.2757313269229493
Energy: 1.3415807467798526
Energy: 1.6011638916825124
Energy: 1.3415807467792016
Energy: 1.3199750833438897
Energy: 1.6168315357149134
Energy: 1.3220839216004499
Energy: 1.6168315357136114
Energy: 1.3199750833438897
Energy: 1.6168315357110072
Energy: 1.2971562279949682
Energy: 1.5650644581000244
Energy: 1.275390879212638
Energy: 1.5650644581006754
Energy: 1.2971562279943174
Energy: 1.5650644581006754
Energy: 1.2795709823404746
Energy: 1.4195003488743658
Energy: 1.66505552456925
Energy: 1.4195003488750166
Energy: 1.2795709823404746
Energy: 1.4195003488737148
Energy: 1.2899223741416628
Energy: 1.5312253292945583
Energy: 1.668092492348063
Energy: 1.5312253292991156
Energy: 1.2899223741416628
Energy: 1.5312253292958604
Energy: 1.289572481670022
Energy: 1.6406847779925626
Energy: 1.3248452156265973
Energy: 1.6406847779925626
Energy: 1.289572481670022
Energy: 1.6406847779925626
Energy: 1.3216549956542303
Energy: 1.6140617435456488
Energy: 1.275472325860685
Energy: 1.6140617435456488
Energy: 1.3216549956542303
Energy: 1.6140617435456488
Energy: 1.3166242726165869
Energy: 1.6428417652937002
Energy: 1.2921377533425151
Energy: 1.6428417652937002
Energy: 1.3166242726165869
Energy: 1.6428417652937002
Energy: 1.6557120946758543
Energy: 1.5152326285225695
Energy: 1.2999304462232384
Energy: 1.5152326285219186
Energy: 1.6557120946752033
Energy: 1.5152326285219186
Energy: 1.6526379730752407
Energy: 1.5171235599827815
Energy: 1.2756391796363686
Energy: 1.5171235599840838
Energy: 1.6526379730752407
Energy: 1.5171235599827815
Energy: 1.2787270097612202
Energy: 1.633175597956907
Energy: 1.2790879302454932
Energy: 1.6331755979575582
Energy: 1.2787270097618713
Energy: 1.633175597956907
Energy: 1.2754226357726417
Energy: 1.5168154612325457
Energy: 1.6523515283150558
Energy: 1.516815461233197
Energy: 1.2754226357726417
Energy: 1.516815461234499
Energy: 1.297919976850917
Energy: 1.51329281682073
Energy: 1.655622932363259
Energy: 1.5132928168200788
Energy: 1.297919976850917
Energy: 1.5132928168194277
Energy: 1.2924838839715185
Energy: 1.6430847095271426
Energy: 1.3166723782430467
Energy: 1.6430847095264918
Energy: 1.2924838839721695
Energy: 1.6430847095271426
Energy: 1.2755380561623701
Energy: 1.6144583960389407
Energy: 1.3223470818643916
Energy: 1.6144583960382897
Energy: 1.2755380561623701
Energy: 1.6144583960389407
Energy: 1.3223213598488197
Energy: 1.6408407073587774
Energy: 1.2895217236963596
Energy: 1.6408407073587774
Energy: 1.3223213598488197
Energy: 1.6408407073587774
Energy: 1.6684345908673728
Energy: 1.5304062457756002
Energy: 1.2898848387637927
Energy: 1.5304062457573717
Energy: 1.6684345908673728
Energy: 1.530406245760627
Energy: 1.6654132089876583
Energy: 1.4182530938334361
Energy: 1.2795729678222405
Energy: 1.4182530938314832
Energy: 1.6654132089876583
Energy: 1.4182530938334361
Energy: 1.275408474565204
Energy: 1.5580499848337828
Energy: 1.2977467006542838
Energy: 1.5580499848331317
Energy: 1.275408474565204
Energy: 1.5580499848337828
Energy: 1.323349043129702
Energy: 1.6167314541610178
Energy: 1.3198930587784687
Energy: 1.6167314541590647
Energy: 1.323349043129702
Energy: 1.6167314541610178
Energy: 1.2756627665256586
Energy: 1.3415807467792016
Energy: 1.6012621594772727
Energy: 1.3415807467772485
Energy: 1.2756627665256586
Energy: 1.3415807467765974
Energy: 1.2955142544688831
Energy: 1.619531578801176
Energy: 1.3506555203900221
Energy: 1.6195315788018272
Energy: 1.2955142544695342
Energy: 1.619531578801176
Energy: 1.2787850420267055
Energy: 1.4163212368218314
Energy: 1.601144801628487
Energy: 1.4163212368211802
Energy: 1.2787850420273563
Energy: 1.4163212368211802
Energy: 1.5083140960421495
Energy: 1.3382506309165667
Energy: 1.2755284719801474
Energy: 1.3382506309081035
Energy: 1.5083140960414982
Energy: 1.338250630920473
Energy: 1.3436632517023603
Energy: 1.5579760727967598
Energy: 1.3399705342152137
Energy: 1.5579760727948067
Energy: 1.3436632517023603
Energy: 1.5579760727954577
Energy: 1.5185501704524467
Energy: 1.3416086242916576
Energy: 1.2805989200729542
Energy: 1.3416086242916576
Energy: 1.5185501704543998
Energy: 1.3416086242916576
Energy: 1.3246574399135334
Energy: 1.5659159623568264
Energy: 1.309258433870192
Energy: 1.5659159623568264
Energy: 1.324657439912882
Energy: 1.5659159623568264
Energy: 1.300364583619587
Energy: 1.3391096017912827
Energy: 1.2824107740319703
Energy: 1.339109601791934
Energy: 1.30036458362154
Energy: 1.3391096017912827
Energy: 1.2761183004436238
Energy: 1.2913881945604748
Energy: 1.5151960630874077
Energy: 1.2913881945604748
Energy: 1.2761183004436238
Energy: 1.2913881945598238
Energy: 1.7456875021136122
Energy: 1.671172040675766
Energy: 1.6842317394078967
Energy: 1.671172040675766
Energy: 1.7456875021136122
Energy: 1.671172040675766
Energy: 1.2761574044703117
Energy: 1.2911507760982959
Energy: 1.5046381830297189
Energy: 1.2911507760982959
Energy: 1.2761574044703117
Energy: 1.291150776097645
Energy: 1.3046456222843446
Energy: 1.3605321716515413
Energy: 1.282400434581538
Energy: 1.3605321716508902
Energy: 1.304645622296714
Energy: 1.3605321716508902
Energy: 1.3234806333545137
Energy: 1.5476686684991714
Energy: 1.31143596947342
Energy: 1.5476686684991714
Energy: 1.3234806333493057
Energy: 1.5476686684991714
Energy: 1.518777999604627
Energy: 1.3416086242942615
Energy: 1.2847318734133544
Energy: 1.3416086242936105
Energy: 1.518777999604627
Energy: 1.3416086242910064

minimum gb energy = 1.2752730455407506 eV
minimum distance =  2.20473334755016 Angstroms
sigma value = 57


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

Energy: 1.5472135564028937
Energy: 1.6989334139215535
Energy: 1.7484075780886517
Energy: 1.6989334139204937
Energy: 1.5472135564039535
Energy: 1.6989334139204937
Energy: 1.3947774564608002
Energy: 1.31428168719776
Energy: 1.3166858974520652
Energy: 1.3142816871966998
Energy: 1.3947774564597402
Energy: 1.31428168719776
Energy: 1.3042547080537956
Energy: 1.484879121808077
Energy: 1.4837373734014292
Energy: 1.484879121810197
Energy: 1.3042547080548557
Energy: 1.484879121808077
Energy: 1.3657573913528018
Energy: 1.4781491011648558
Energy: 1.4986244233470705
Energy: 1.4781491011648558
Energy: 1.3657573912924288
Energy: 1.478149101163796
Energy: 1.2684259270432356
Energy: 1.3717124851624707
Energy: 1.3696086258868208
Energy: 1.3717124851624707
Energy: 1.2684259270432356
Energy: 1.3717124851635307
Energy: 1.5019682257104257
Energy: 1.4796166781541253
Energy: 1.4995451422143966
Energy: 1.4796166781551854
Energy: 1.5019682257157259
Energy: 1.4796166781551854
Energy: 1.3022945584586583
Energy: 1.4832952881859258
Energy: 1.323545743524413
Energy: 1.4832952881848656
Energy: 1.3022945584575985
Energy: 1.4832952881827457
Energy: 1.6293739551086461
Energy: 1.3466650964937907
Energy: 1.3170805677271036
Energy: 1.3466650964916707
Energy: 1.6293739551086461
Energy: 1.3466650964937907
Energy: 1.3859915746491456
Energy: 1.675477557821549
Energy: 1.3280353204645925
Energy: 1.675477557821549
Energy: 1.3859915746491456
Energy: 1.6754775578204892
Energy: 1.4867580236885585
Energy: 1.315334433888065
Energy: 1.3143054592607797
Energy: 1.315334433888065
Energy: 1.4867580236885585
Energy: 1.315334433888065
Energy: 1.3026351044567486
Energy: 1.5962212733201606
Energy: 1.4972562437379306
Energy: 1.5962212733201606
Energy: 1.3026351044567486
Energy: 1.5962212733201606
Energy: 1.349023574729056
Energy: 1.4688087785245763
Energy: 1.489145301464042
Energy: 1.468808778525636
Energy: 1.349023574729056
Energy: 1.468808778525636
Energy: 1.2730764478735752
Energy: 1.4956348077036683
Energy: 1.4995472242783208
Energy: 1.495634807756621
Energy: 1.2730764478735752
Energy: 1.495634807742841
Energy: 1.432897727617658
Energy: 1.5171373271502924
Energy: 1.4891285247787844
Energy: 1.5171373271481725
Energy: 1.432897727617658
Energy: 1.5171373271481725
Energy: 1.3044521757340444
Energy: 1.5057031151781601
Energy: 1.3282792967808226
Energy: 1.5057031151781601
Energy: 1.3044521757340444
Energy: 1.5057031151728597
Energy: 1.5136110381484025
Energy: 1.5641726553815687
Energy: 1.3102211133912827
Energy: 1.5641726553815687
Energy: 1.5136110381484025
Energy: 1.5641726553815687
Energy: 1.5379683267168445
Energy: 1.5566097849373381
Energy: 1.3262377823256897
Energy: 1.5566097849383984
Energy: 1.5379683267168445
Energy: 1.5566097849373381
Energy: 1.4950102583132807
Energy: 1.5430515486908605
Energy: 1.3162604675896423
Energy: 1.5430515486919205
Energy: 1.4950102583132807
Energy: 1.5430515486919205
Energy: 1.3047148854654147
Energy: 1.6222886343481513
Energy: 1.4876768026956384
Energy: 1.6222886343460312
Energy: 1.3047148854654147
Energy: 1.6222886343481513
Energy: 1.3459970888167279
Energy: 1.5004370463965686
Energy: 1.4862787085150844
Energy: 1.5004370463955083
Energy: 1.345997088822028
Energy: 1.5004370463955083
Energy: 1.279983910541901
Energy: 1.493294586036872
Energy: 1.4878341336237644
Energy: 1.4932945863589737
Energy: 1.279983910542961
Energy: 1.4932945863398932
Energy: 1.301080659511502
Energy: 1.4768357948590736
Energy: 1.4861725617855672
Energy: 1.4768357948114208
Energy: 1.301080659511502
Energy: 1.4768357947796202
Energy: 1.3092293654154774
Energy: 1.5281867280166592
Energy: 1.3264868852567935
Energy: 1.528186728012419
Energy: 1.3092293654154774
Energy: 1.5281867280155992
Energy: 1.3765188797349641
Energy: 1.6415516310539782
Energy: 1.3166841689045945
Energy: 1.641551631055038
Energy: 1.3765188797349641
Energy: 1.6415516310539782
Energy: 1.3765708748478884
Energy: 1.5245449239830027
Energy: 1.3202370319003796
Energy: 1.5245449239830027
Energy: 1.3765708748478884
Energy: 1.5245449239830027
Energy: 1.3008254623969566
Energy: 1.5371818347128807
Energy: 1.3258939639757483
Energy: 1.5371818347128807
Energy: 1.3008254623980164
Energy: 1.5371818347128807
Energy: 1.308861983604436
Energy: 1.62735737873444
Energy: 1.4861030124202814
Energy: 1.62735737873656
Energy: 1.308861983604436
Energy: 1.6273573787354998

minimum gb energy = 1.2684259270432356 eV
minimum distance =  2.21427525745518 Angstroms
sigma value = 43


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

Energy: 1.4451308323751861
Energy: 1.6319531390945599
Energy: 1.7771492303279437
Energy: 1.6319531390968416
Energy: 1.4451308323751861
Energy: 1.631953139096069
Energy: 1.3778451184544334
Energy: 1.3464167811905536
Energy: 1.3114735952994114
Energy: 1.346416781191326
Energy: 1.3778451184544334
Energy: 1.3464167811951877
Energy: 1.314080708538679
Energy: 1.4274944528325622
Energy: 1.4663053946129858
Energy: 1.4274944528387408
Energy: 1.314080708538679
Energy: 1.4274944528263833
Energy: 1.4287473588933097
Energy: 1.6017843986835967
Energy: 1.3948462619642075
Energy: 1.6017843986835967
Energy: 1.4287473588933097
Energy: 1.6017843986820521
Energy: 1.3149821883494626
Energy: 1.3926557706412763
Energy: 1.4028406178462007
Energy: 1.3926557706350977
Energy: 1.3149821883486903
Energy: 1.392655770642821
Energy: 1.396490569733516
Energy: 1.408876606085983
Energy: 1.3118283994553543
Energy: 1.408876606085983
Energy: 1.3964905697350605
Energy: 1.4088766060875277
Energy: 1.313104595445634
Energy: 1.4040887976418994
Energy: 1.3470297809655556
Energy: 1.404088797636493
Energy: 1.313104595445634
Energy: 1.4040887975901883
Energy: 1.421304774899096
Energy: 1.391616550113693
Energy: 1.3152913288782475
Energy: 1.391616550113693
Energy: 1.4213047748983239
Energy: 1.3916165501121482
Energy: 1.393669173470093
Energy: 1.6021187988664976
Energy: 1.4099392155187356
Energy: 1.6021187988664976
Energy: 1.393669173470093
Energy: 1.6021187988664976
Energy: 1.5177936581171572
Energy: 1.4118971327513514
Energy: 1.3142848470753865
Energy: 1.4118971327382217
Energy: 1.517793658116385
Energy: 1.4118971327397667
Energy: 1.3127984946024336
Energy: 1.3659005059821279
Energy: 1.6087238343728105
Energy: 1.3659005059798108
Energy: 1.3127984946024336
Energy: 1.3659005059813554
Energy: 1.345061086931497
Energy: 1.5749724452348328
Energy: 1.4334347624196502
Energy: 1.57497244524719
Energy: 1.3450610869330417
Energy: 1.574972445242556
Energy: 1.3167686376526433
Energy: 1.3424247213014147
Energy: 1.4004868802055885
Energy: 1.3424247212998701
Energy: 1.3167686376534156
Energy: 1.3424247212998701
Energy: 1.3993088150456572
Energy: 1.4705882772382046
Energy: 1.3145204806352424
Energy: 1.4705882772405217
Energy: 1.3993088150387063
Energy: 1.4705882772382046
Energy: 1.3887410026164617
Energy: 1.6009562905995023
Energy: 1.3449646014067873
Energy: 1.6009562905995023
Energy: 1.3887410026172338
Energy: 1.6009562905995023
Energy: 1.392501664132848
Energy: 1.529004116467941
Energy: 1.3186383905185206
Energy: 1.5290041164640795
Energy: 1.3925016641336205
Energy: 1.5290041164625348
Energy: 1.317837003899473
Energy: 1.4825826332802508
Energy: 1.3979822186818134
Energy: 1.482582633592906
Energy: 1.317837003899473
Energy: 1.48258263319224
Energy: 1.3638054130163013
Energy: 1.3996372571946507
Energy: 1.3114915748252405
Energy: 1.3996372572263165
Energy: 1.3638054130163013
Energy: 1.3996372568989868
Energy: 1.3449969028613336
Energy: 1.4548207699786024
Energy: 1.3898827830349822
Energy: 1.4548207699762854
Energy: 1.3449969028613336
Energy: 1.454820769975513
Energy: 1.3229136476061985
Energy: 1.5657558038065535
Energy: 1.3888908574426075
Energy: 1.5657558038127324
Energy: 1.3229136476061985
Energy: 1.5657558038096429
Energy: 1.320779744883206
Energy: 1.4187211892564846
Energy: 1.3485553454045824
Energy: 1.4187211892719314
Energy: 1.320779744883206
Energy: 1.4187211892773377
Energy: 1.7078516571841043
Energy: 1.4753357388310875
Energy: 1.319214095156637
Energy: 1.4753357388264534
Energy: 1.7078516571825597
Energy: 1.475335738829543
Energy: 1.8041176384159667
Energy: 1.5242426473558957
Energy: 1.3463616904263727
Energy: 1.5242426473566681
Energy: 1.8041176384159667
Energy: 1.5242426473558957
Energy: 1.3259053004439236
Energy: 1.598041454798751
Energy: 1.3446115561003578
Energy: 1.598041454801068
Energy: 1.3259053004439236
Energy: 1.598041454801068
Energy: 1.3203097402909083
Energy: 1.5660730730503638
Energy: 1.3985188354808258
Energy: 1.5660730730495913
Energy: 1.3203097402909083
Energy: 1.5660730730503638
Energy: 1.351008736100444
Energy: 1.5487367037056472
Energy: 1.394349470358515
Energy: 1.5487367037056472
Energy: 1.3510087360996716
Energy: 1.548736703704875
Energy: 1.3587090586687811
Energy: 1.5227944439696959
Energy: 1.388947600225071
Energy: 1.5227944439696959
Energy: 1.3587090586687811
Energy: 1.5227944439712406
Energy: 1.3853001670103133
Energy: 1.712114080535413
Energy: 1.3852278282429347
Energy: 1.712114080535413
Energy: 1.3853001670103133
Energy: 1.712114080535413
Energy: 1.3887343482681458
Energy: 1.5231762555883543
Energy: 1.3606730773653124
Energy: 1.523176255786002
Energy: 1.3887343482681458
Energy: 1.5231762555798587
Energy: 1.3944466604826806
Energy: 1.5496062431882605
Energy: 1.3514883955457735
Energy: 1.5496062431882605
Energy: 1.3944466604826806
Energy: 1.5496062431882605
Energy: 1.397314263028121
Energy: 1.5661115973174609
Energy: 1.3200102318444742
Energy: 1.5661115973174609
Energy: 1.397314263028121
Energy: 1.5661115973174609
Energy: 1.3445748420064327
Energy: 1.4082843391326958
Energy: 1.3267171769449984
Energy: 1.4082843159914695
Energy: 1.344574842007205
Energy: 1.4082844109959005
Energy: 1.3464302704269746
Energy: 1.5152339674593185
Energy: 1.8041333841496432
Energy: 1.5152339674616353
Energy: 1.3464302704262023
Energy: 1.5152339674608628
Energy: 1.3191843062266975
Energy: 1.4673751858170638
Energy: 1.7082092524611776
Energy: 1.467375185815519
Energy: 1.31918430622747
Energy: 1.4673751858170638
Energy: 1.3487736432544621
Energy: 1.4138559093223109
Energy: 1.320754387621504
Energy: 1.4138559091215737
Energy: 1.3487736432544621
Energy: 1.413855910328207
Energy: 1.3887609613748093
Energy: 1.5664818886090828
Energy: 1.3225273865348859
Energy: 1.5664818886160337
Energy: 1.388760961374037
Energy: 1.5664818886299359

minimum gb energy = 1.3114735952994114 eV
minimum distance =  2.23712540990451 Angstroms
sigma value = 81


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

Energy: 1.3578218878557267
Energy: 1.3605569524696817
Energy: 2.1851414401324334
Energy: 1.360556952469972
Energy: 1.3578218878557267
Energy: 1.3605569524702623
Energy: 1.5491400922063276
Energy: 1.3605233214909975
Energy: 1.3578438165552655
Energy: 1.3605233214909975
Energy: 1.5491400922063276
Energy: 1.3605233214909975
Energy: 1.3578073544672127
Energy: 1.3608311092809433
Energy: 1.549047601054862
Energy: 1.360831109280653
Energy: 1.3578073544672127
Energy: 1.360831109280363
Energy: 2.1851414401324334
Energy: 1.360556952469972
Energy: 1.3578218878537276
Energy: 1.3605569524696817
Energy: 2.1851414401324334
Energy: 1.3605569524702623
Energy: 1.3578438165552655
Energy: 1.360523321490707
Energy: 1.5491400922069083
Energy: 1.3605233214912877
Energy: 1.3578438165549758
Energy: 1.3605233214909975
Energy: 1.5490476010545717
Energy: 1.3608311092809433
Energy: 1.3578073544672127
Energy: 1.360831109280653
Energy: 1.549047601054862
Energy: 1.360831109280363
Energy: 1.3578218878557267
Energy: 1.3605569524696817
Energy: 2.185141440132724
Energy: 1.360556952469972
Energy: 1.3578218878557267
Energy: 1.360556952469972
Energy: 1.5491400922063276
Energy: 1.360523321490707
Energy: 1.3578438165535567
Energy: 1.3605233214912877
Energy: 1.549140092206618
Energy: 1.3605233214909975
Energy: 1.357807354467503
Energy: 1.360831109280363
Energy: 1.5490476010551197
Energy: 1.3608311092809433
Energy: 1.3578073544672127
Energy: 1.360831109280363
Energy: 2.1851414401324334
Energy: 1.360556952469972
Energy: 1.3578218878537276
Energy: 1.3605569524705525
Energy: 2.1851414401324334
Energy: 1.360556952469972

minimum gb energy = 1.3578073544672127 eV
minimum distance =  2.23148395110204 Angstroms
sigma value = 3


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

Energy: 1.66447261130377
Energy: 1.6782966916743602
Energy: 1.927812493746665
Energy: 1.6782966916735114
Energy: 1.6644726113020716
Energy: 1.6782966916794555
Energy: 1.552898690865846
Energy: 1.361791172590224
Energy: 1.2907472055273717
Energy: 1.3617911725927718
Energy: 1.552898690865846
Energy: 1.3617911725927718
Energy: 1.328784033908409
Energy: 1.348168305891285
Energy: 1.4736077650459363
Energy: 1.3481683058921339
Energy: 1.328784033908409
Energy: 1.3481683058921339
Energy: 1.7075985861671679
Energy: 1.6571894030058636
Energy: 1.3471984254052067
Energy: 1.6571894030041652
Energy: 1.707598586168017
Energy: 1.6571894030007683
Energy: 1.3349006907677095
Energy: 1.334331557989655
Energy: 1.6442981656519748
Energy: 1.3343315579905044
Energy: 1.3349006907685588
Energy: 1.3343315579905044
Energy: 1.48131950125134
Energy: 1.3881341333591266
Energy: 1.2900602172419757
Energy: 1.3881341333582775
Energy: 1.4813195012564353
Energy: 1.3881341333591266
Energy: 1.334868222725657
Energy: 1.334220160920199
Energy: 1.4747894633651082
Energy: 1.3342201609193496
Energy: 1.334868222725657
Energy: 1.3342201609193496
Energy: 1.330688880504554
Energy: 1.7261814343359327
Energy: 1.3444800384971187
Energy: 1.7261814343359327
Energy: 1.3306888805028554
Energy: 1.7261814343359327
Energy: 1.329771969276451
Energy: 1.5087644604706163
Energy: 1.6106656110715019
Energy: 1.508764460469767
Energy: 1.329771969276451
Energy: 1.5087644604706163
Energy: 1.3285367764571214
Energy: 1.3516654004816495
Energy: 1.2926976290963847
Energy: 1.3516654004816495
Energy: 1.3285367764562719
Energy: 1.3516654004808
Energy: 1.6448828413753587
Energy: 1.5452597061514861
Energy: 1.361670171608128
Energy: 1.5452597061506368
Energy: 1.6448828413753587
Energy: 1.5452597061514861
Energy: 1.6472159812741314
Energy: 1.3116068404475216
Energy: 1.2922002317375916
Energy: 1.3116068404262917
Energy: 1.6472159812741314
Energy: 1.3116068404195367
Energy: 1.330962060796581
Energy: 1.4127269048525373
Energy: 1.2920127677939284
Energy: 1.412726904735386
Energy: 1.3309620607974304
Energy: 1.4127269045325426
Energy: 1.3292373462156089
Energy: 1.4013657204846894
Energy: 1.3406365107204803
Energy: 1.4013657204897847
Energy: 1.3292373462147595
Energy: 1.4013657204940306
Energy: 1.3319567492099165
Energy: 1.3419129965035905
Energy: 1.3406920063534469
Energy: 1.341912996513781
Energy: 1.3319567492107653
Energy: 1.341912996505289
Energy: 1.330491701863921
Energy: 1.3592074984387
Energy: 1.2941228819477202
Energy: 1.3592074981305553
Energy: 1.330491701863921
Energy: 1.3592074986763603
Energy: 1.3315190105229446
Energy: 1.4809478225135058
Energy: 1.294088793755918
Energy: 1.4809478225143549
Energy: 1.3315190105229446
Energy: 1.4809478225135058
Energy: 1.3298501411497368
Energy: 1.428209393880828
Energy: 1.3406944033372519
Energy: 1.428209393880828
Energy: 1.3298501411497368
Energy: 1.428209393880828
Energy: 1.329028992802177
Energy: 1.402241319104779
Energy: 1.3411435754585377
Energy: 1.402241319105628
Energy: 1.329028992803026
Energy: 1.402241319105628
Energy: 1.3290196558779757
Energy: 1.3477344788908854
Energy: 1.2923732378188468
Energy: 1.3477344788942824
Energy: 1.3290196558779757
Energy: 1.3477344788917347
Energy: 1.6464564411929643
Energy: 1.3164398130170656
Energy: 1.2921789398052512
Energy: 1.316439813017915
Energy: 1.6464564411929643
Energy: 1.3164398129898913
Energy: 1.6437328036708858
Energy: 1.5498632119110525
Energy: 1.3553397389302784
Energy: 1.5498632119102032
Energy: 1.6437328036708858
Energy: 1.5498632119042588
Energy: 1.32850604338108
Energy: 1.3535929979664456
Energy: 1.2927173503026237
Energy: 1.3535929979698424
Energy: 1.32850604338108
Energy: 1.3535929979698424
Energy: 1.3288333683771592
Energy: 1.5149467967076644
Energy: 1.6105852494038875
Energy: 1.5149467967076644
Energy: 1.3288333683763103
Energy: 1.5149467967068153
Energy: 1.3303345666324045
Energy: 1.4292398427951813
Energy: 1.3432864320700149
Energy: 1.4292398427960304
Energy: 1.3303345666324045
Energy: 1.4292398427960304
Energy: 1.3335286782445526
Energy: 1.5214155189139271
Energy: 1.4246416030992075
Energy: 1.5214155188867915
Energy: 1.3335286782454019
Energy: 1.5214155189105305
Energy: 1.3314508981611115
Energy: 1.5447090876827572
Energy: 1.2911679458854093
Energy: 1.5447090876827572
Energy: 1.3314508981611115
Energy: 1.5447090876827572
Energy: 1.3333822772722388
Energy: 1.3938891209741109
Energy: 1.6106984612084887
Energy: 1.3938891209724122
Energy: 1.3333822772730881
Energy: 1.3938891209715634
Energy: 1.4313715620586749
Energy: 1.717079312230114
Energy: 1.34715608941942
Energy: 1.717079312230114
Energy: 1.4313715620637704
Energy: 1.717079312238606
Energy: 1.3274766653650485
Energy: 1.3515641178206297
Energy: 1.4674854273500983
Energy: 1.3515641178231772
Energy: 1.3274766653650485
Energy: 1.3515641178214788
Energy: 1.5530490654414861
Energy: 1.355010944580688
Energy: 1.2899937094217597
Energy: 1.3550109445781404
Energy: 1.55304906543724
Energy: 1.3550109445772915
Energy: 1.644512729391794
Energy: 1.739234759055446
Energy: 1.3586114386766261
Energy: 1.739234759056295
Energy: 1.6445127293408808
Energy: 1.739234759055446
Energy: 1.5525964710454478
Energy: 1.3603475407475594
Energy: 1.2890027743026118
Energy: 1.3603475407484082
Energy: 1.5525964710445987
Energy: 1.3603475407484082

minimum gb energy = 1.2890027743026118 eV
minimum distance =  2.19479897338771 Angstroms
sigma value = 67


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

Energy: 1.4582189873734603
Energy: 1.791423362873602
Energy: 1.766849623765217
Energy: 1.791423362873602
Energy: 1.4582189873734603
Energy: 1.791423362873602
Energy: 1.6110413160523807
Energy: 1.397458816643363
Energy: 1.2855720889070934
Energy: 1.397458816643363
Energy: 1.6110413160523807
Energy: 1.397458816643363
Energy: 1.2894409179650848
Energy: 1.3743608729724586
Energy: 1.4615544737080401
Energy: 1.3743608729724586
Energy: 1.2894409179638748
Energy: 1.3743608729712484
Energy: 1.6040169428796816
Energy: 1.6417905685586565
Energy: 1.4033259464107375
Energy: 1.6417905685586565
Energy: 1.6040169428784714
Energy: 1.6417905685586565
Energy: 1.394143209111754
Energy: 1.6397752590629504
Energy: 1.510590327249504
Energy: 1.6397752590714207
Energy: 1.394143209110544
Energy: 1.6397752590569004
Energy: 1.3956507520332495
Energy: 1.4596771607513856
Energy: 1.2691120530867397
Energy: 1.4596771607501755
Energy: 1.3956507520223593
Energy: 1.4596771607513856
Energy: 1.3895837142618885
Energy: 1.4044066645311342
Energy: 1.2890426746512407
Energy: 1.4044066645311342
Energy: 1.3895837142618885
Energy: 1.404406664532344
Energy: 1.394676737956191
Energy: 1.5257780315453737
Energy: 1.6711445094433754
Energy: 1.525778031565944
Energy: 1.394676737956191
Energy: 1.5257780315429537
Energy: 1.3842798794008895
Energy: 1.397872597582531
Energy: 1.6679020448522608
Energy: 1.3978725976309319
Energy: 1.3842798794020994
Energy: 1.3978725975486506
Energy: 1.3857786388892022
Energy: 1.4445944290352934
Energy: 1.290776930769862
Energy: 1.4445944290365036
Energy: 1.3857786388892022
Energy: 1.4445944290244033
Energy: 1.3843366801256622
Energy: 1.4564766652255379
Energy: 1.2935569940560487
Energy: 1.4564766652267476
Energy: 1.3843366801244523
Energy: 1.4564766652255379
Energy: 1.3879897899325828
Energy: 1.3243634578824857
Energy: 1.3885389523176421
Energy: 1.3243634578836958
Energy: 1.3879897899313727
Energy: 1.3243634578824857
Energy: 1.291305863498148
Energy: 1.4167450441862703
Energy: 1.3866472596367474
Energy: 1.4167450441862703
Energy: 1.291305863498148
Energy: 1.4167450441862703
Energy: 1.2894087266844836
Energy: 1.4029221962020069
Energy: 1.386479023641678
Energy: 1.4029221962020069
Energy: 1.2894087266856937
Energy: 1.4029221962020069
Energy: 1.733226778841395
Energy: 1.4261634177965468
Energy: 1.3846583733215232
Energy: 1.4261634178025968
Energy: 1.733226778841395
Energy: 1.426163417803807
Energy: 1.7034574956516073
Energy: 1.5772870625141862
Energy: 1.3877444239504484
Energy: 1.577287062512976
Energy: 1.703457495652817
Energy: 1.577287062512976
Energy: 1.2921067442637535
Energy: 1.2962839877249008
Energy: 1.3894680387441563
Energy: 1.2962839876075845
Energy: 1.2921067442637535
Energy: 1.2962839875568186
Energy: 1.2680670832996397
Energy: 1.551833963588224
Energy: 1.397095238660037
Energy: 1.551833963588224
Energy: 1.2680670832996397
Energy: 1.551833963588224
Energy: 1.5091851092549575
Energy: 1.7831166629400501
Energy: 1.3922764938579342
Energy: 1.7831166629400501
Energy: 1.5091851092622177
Energy: 1.7831166629400501
Energy: 1.396314949370506
Energy: 1.6945345568761556
Energy: 1.5775910682863452
Energy: 1.6945345568761556
Energy: 1.3963149493692961
Energy: 1.6945345568761556
Energy: 1.5863210668721723
Energy: 1.4576211520731173
Energy: 1.2885865034590447
Energy: 1.4576211520731173
Energy: 1.5863210668733827
Energy: 1.4576211520731173
Energy: 1.2830102378792752
Energy: 1.389579737580428
Energy: 1.7577234421837666
Energy: 1.389579737579218
Energy: 1.2830102378792752
Energy: 1.389579737579218
Energy: 1.6226955614274907
Energy: 1.7201539716708525
Energy: 1.3164475456839067
Energy: 1.7201539716720622
Energy: 1.6226955614274907
Energy: 1.7201539716708525

minimum gb energy = 1.2680670832996397 eV
minimum distance =  2.19672742722479 Angstroms
sigma value = 33


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

Energy: 1.5278210427344388
Energy: 1.7703415799166937
Energy: 1.7411300071703528
Energy: 1.7703415799159261
Energy: 1.527821042732903
Energy: 1.7703415799151587
Energy: 1.7106705579837331
Energy: 1.5162875819270387
Energy: 1.229338454624287
Energy: 1.5162875819262709
Energy: 1.710670557845598
Energy: 1.5162875819270387
Energy: 1.2263242844633417
Energy: 1.3080754716082688
Energy: 1.5720477609388148
Energy: 1.3080754716082688
Energy: 1.2263242844633417
Energy: 1.3080754716082688
Energy: 1.2968673619399476
Energy: 1.3399499304589173
Energy: 1.2365596016274112
Energy: 1.3399477660153367
Energy: 1.2968673619399476
Energy: 1.3399524825542917
Energy: 1.4469925504932428
Energy: 1.5300259188173848
Energy: 1.4355354954957105
Energy: 1.5300259188166174
Energy: 1.4469925504932428
Energy: 1.5300259188181524
Energy: 1.4484756721049434
Energy: 1.4510458820395293
Energy: 1.2304585936674128
Energy: 1.451045882044135
Energy: 1.4484756721049434
Energy: 1.4510458820426
Energy: 1.2226150197320116
Energy: 1.2437148100869786
Energy: 1.2400331154884112
Energy: 1.2437148100869786
Energy: 1.2226150197312438
Energy: 1.2437148100869786
Energy: 1.2446426270003998
Energy: 1.220129443477819
Energy: 1.4485544940776258
Energy: 1.220129443444079
Energy: 1.2446426270003998
Energy: 1.2201294434801218
Energy: 1.432051720722059
Energy: 1.4198569207024476
Energy: 1.4458590627077805
Energy: 1.4198569207039833
Energy: 1.4320517207212915
Energy: 1.4198569207032157
Energy: 1.2338343476699989
Energy: 1.380974099973894
Energy: 1.2202103266762372
Energy: 1.3809740999723588
Energy: 1.2338343476699989
Energy: 1.380974099973894
Energy: 1.21719154573152
Energy: 1.4215266848425785
Energy: 1.2458132907290356
Energy: 1.4215266848418109
Energy: 1.2171915457322877
Energy: 1.4215266848418109
Energy: 1.2207054859160409
Energy: 1.2832079065634374
Energy: 1.7066951002028992
Energy: 1.2832079065634374
Energy: 1.2207054859160409
Energy: 1.2832079065634374
Energy: 1.46192363755165
Energy: 1.543351458511612
Energy: 1.5142350338512198
Energy: 1.543351458511612
Energy: 1.46192363755165
Energy: 1.543351458511612
Energy: 1.229345716418433
Energy: 1.4157690585104168
Energy: 1.225762653570063
Energy: 1.4157690585104168
Energy: 1.2293457164192008
Energy: 1.4157690585104168
Energy: 1.4706272537323108
Energy: 1.3015088563152695
Energy: 1.2202983631452988
Energy: 1.3015088562638744
Energy: 1.4706272537315435
Energy: 1.3015088563191073
Energy: 1.2365619701265282
Energy: 1.4648685305983702
Energy: 1.6313476929970658
Energy: 1.4648685305960674
Energy: 1.2365619701265282
Energy: 1.4648685306014408
Energy: 1.7026040553412207
Energy: 1.7693155161708125
Energy: 1.4927164221131908
Energy: 1.7693155161700447
Energy: 1.7026040553412207
Energy: 1.7693155161692773
Energy: 1.2193547217674634
Energy: 1.2447365981398597
Energy: 1.5793367129735527
Energy: 1.2447365981406275
Energy: 1.2193547217674634
Energy: 1.2447365981413951
Energy: 1.3331984418410208
Energy: 1.2424103811874099
Energy: 1.2227507911752593
Energy: 1.242410381185107
Energy: 1.3331984418417884
Energy: 1.2424103811866423
Energy: 1.4825670397557034
Energy: 1.5296613019145908
Energy: 1.241881736503459
Energy: 1.5296613019138232
Energy: 1.4825670397557034
Energy: 1.5296613019145908
Energy: 1.6912207970944908
Energy: 1.3891860475154827
Energy: 1.2322718474033363
Energy: 1.389186047317509
Energy: 1.6912207970944908
Energy: 1.3891860478768532
Energy: 1.226644603773049
Energy: 1.426748713235989
Energy: 1.4344438842845422
Energy: 1.4267487132375243
Energy: 1.226644603773049
Energy: 1.4267487132367567
Energy: 1.2432266124736466
Energy: 1.4228898451090795
Energy: 1.2228934125895177
Energy: 1.4228898451090795
Energy: 1.2432266124721116
Energy: 1.4228898451090795
Energy: 1.5007685060978306
Energy: 1.567581108654205
Energy: 1.2178765514748322
Energy: 1.5675811087255578
Energy: 1.5007685060985987
Energy: 1.5675811086986917
Energy: 1.7059534510907486
Energy: 1.2851638949543371
Energy: 1.2177779453388422
Energy: 1.2851638949543371
Energy: 1.7059534510907486
Energy: 1.285163894955105
Energy: 1.263152352601868
Energy: 1.4284662702430848
Energy: 1.2203048468835886
Energy: 1.4284662702430848
Energy: 1.263152352601868
Energy: 1.4284662702430848
Energy: 1.22072404926172
Energy: 1.4335662459540588
Energy: 1.431085652243752
Energy: 1.4335662459540588
Energy: 1.22072404926172
Energy: 1.4335662459532912
Energy: 1.4485883039812002
Energy: 1.4114241751915932
Energy: 1.235983612823715
Energy: 1.4114241751915932
Energy: 1.4485883039819678
Energy: 1.4114241751923609
Energy: 1.4478861603915356
Energy: 1.2202314208999598
Energy: 1.2428885988186966
Energy: 1.2202314209007274
Energy: 1.4478861603923034
Energy: 1.2202314209014953
Energy: 1.2444697487903278
Energy: 1.2450909727860937
Energy: 1.2241149376972416
Energy: 1.2450909727868613
Energy: 1.244469748791863
Energy: 1.2450909727860937
Energy: 1.2226720346553839
Energy: 1.4072183674112109
Energy: 1.6874018008516771
Energy: 1.4072183674112109
Energy: 1.2226720346553839
Energy: 1.4072183674112109
Energy: 1.4687805119630526
Energy: 1.766277860888099
Energy: 1.4596509338102859
Energy: 1.766277860888099
Energy: 1.4687805119630526
Energy: 1.766277860888099
Energy: 1.2350781350485296
Energy: 1.4694839774075814
Energy: 1.6452877948274638
Energy: 1.4694839774045112
Energy: 1.2350781350492972
Energy: 1.4694839774014408
Energy: 1.6166965352887837
Energy: 1.3056441593124493
Energy: 1.2269789581024295
Energy: 1.3056441593116817
Energy: 1.6166965352849456
Energy: 1.3056441593116817
Energy: 1.2260384229694452
Energy: 1.4883895616350318
Energy: 1.5694068389487454
Energy: 1.4883895616334966
Energy: 1.2260384229694452
Energy: 1.4883895616342642
Energy: 1.4565221553829288
Energy: 1.5446627273677616
Energy: 1.5337812955955927
Energy: 1.5446627273385924
Energy: 1.4565221552663217
Energy: 1.5446627273562474
Energy: 1.2227585514657136
Energy: 1.6435173625392243
Energy: 1.705827741211119
Energy: 1.6435173625361539
Energy: 1.2227585514657136
Energy: 1.6435173625384565

minimum gb energy = 1.21719154573152 eV
minimum distance =  2.19706961101595 Angstroms
sigma value = 41


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

Energy: 1.0843943069519957
Energy: 1.054902780607413
Energy: 1.8066750786515955
Energy: 1.0549027806053173
Energy: 1.0843943069519957
Energy: 1.054902780607413
Energy: 1.6146972201244745
Energy: 1.0582259423656593
Energy: 1.0515752395354294
Energy: 1.0582259423656593
Energy: 1.6146972201244745
Energy: 1.0582259423656593
Energy: 1.0850988302446938
Energy: 1.2338543344451705
Energy: 1.0532951251748206
Energy: 1.2338543344451705
Energy: 1.0850988302446938
Energy: 1.2338543344451705
Energy: 1.6475525308713217
Energy: 1.0570589493335065
Energy: 1.0515960504367987
Energy: 1.0570589493356026
Energy: 1.6475525308797048
Energy: 1.0570589493335065
Energy: 1.0822775545711765
Energy: 1.4418362583373596
Energy: 1.0539737186741616
Energy: 1.4418362583373596
Energy: 1.0822775545711765
Energy: 1.4418362583373596
Energy: 1.0802571527639795
Energy: 1.0889164386949808
Energy: 1.0515051375055835
Energy: 1.0889164386949808
Energy: 1.080257121606862
Energy: 1.0889164386949808
Energy: 1.6441795825267433
Energy: 1.0584178874502035
Energy: 1.0556096632934198
Energy: 1.0584178874502035
Energy: 1.6441795825267433
Energy: 1.0584178874502035
Energy: 1.0865469146494517
Energy: 1.0554879080602948
Energy: 1.0522975544994024
Energy: 1.0554879080602948
Energy: 1.0865469146515478
Energy: 1.0554879080602948
Energy: 1.586266868322388
Energy: 1.0926641346338288
Energy: 1.0571462739690762
Energy: 1.0926641346338288
Energy: 1.586266868322388
Energy: 1.0926641346338288
Energy: 1.0868007633029684
Energy: 1.4398234100845133
Energy: 1.0565460288598059
Energy: 1.4398234100866092
Energy: 1.0868007633008723
Energy: 1.4398234100866092
Energy: 1.6024690619173683
Energy: 1.05532239458484
Energy: 1.0586825678089313
Energy: 1.05532239458484
Energy: 1.6024690619173683
Energy: 1.05532239458484
Energy: 1.0963340722775123
Energy: 1.2293182218373442
Energy: 1.6505483252210233
Energy: 1.22931822183944
Energy: 1.0963340722775123
Energy: 1.2293182218373442
Energy: 1.6024896114427782
Energy: 1.0552715559355481
Energy: 1.058705618999313
Energy: 1.0552715559355481
Energy: 1.6024896114427782
Energy: 1.0552715559355481
Energy: 1.0867799810260255
Energy: 1.4402159859790962
Energy: 1.0565958853836426
Energy: 1.440215985981192
Energy: 1.0867799810260255
Energy: 1.440215985981192

minimum gb energy = 1.0515051375055835 eV
minimum distance =  2.21526925218459 Angstroms
sigma value = 11


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

Energy: 1.582747598976596
Energy: 1.2711942571666048
Energy: 1.712079156339158
Energy: 1.2711942571666048
Energy: 1.582747598976596
Energy: 1.2711942571684465
Energy: 1.53328530984323
Energy: 1.5753328696760205
Energy: 1.254110288976515
Energy: 1.5753328696714166
Energy: 1.5332853098423092
Energy: 1.5753328696704962
Energy: 1.2561560298457286
Energy: 1.3735452319752948
Energy: 1.2551836483027827
Energy: 1.3735452319762154
Energy: 1.2561560298457286
Energy: 1.3735452319752948
Energy: 1.2742926916650377
Energy: 1.2778949932390709
Energy: 1.2565623551205267
Energy: 1.2778949932390709
Energy: 1.2742926916659583
Energy: 1.2778949932390709
Energy: 1.4882333658131477
Energy: 1.4511122384762714
Energy: 1.273114352029278
Energy: 1.4511122384753505
Energy: 1.4882333658122269
Energy: 1.4511122384762714
Energy: 1.291402746087747
Energy: 1.478925906569147
Energy: 1.4731412062398619
Energy: 1.478925906568226
Energy: 1.291402746087747
Energy: 1.478925906569147
Energy: 1.2776017927212124
Energy: 1.524292969807687
Energy: 1.3125256511925572
Energy: 1.5242929698030834
Energy: 1.2776017927212124
Energy: 1.5242929698058456
Energy: 1.2563314720217318
Energy: 1.2816492442798522
Energy: 1.3978117455392909
Energy: 1.2816492442798522
Energy: 1.2563314720217318
Energy: 1.2816492442798522
Energy: 1.5428880867952575
Energy: 1.3366915392688163
Energy: 1.2573646997805454
Energy: 1.3366915392697372
Energy: 1.5428880867952575
Energy: 1.3366915392688163
Energy: 1.2579868870650144
Energy: 1.457464006797688
Energy: 1.3536929529849382
Energy: 1.4574640067967675
Energy: 1.2579868870640938
Energy: 1.4574640067967675
Energy: 1.484444079825684
Energy: 1.5962246466337504
Energy: 1.5431657010035316
Energy: 1.5962246466328298
Energy: 1.484444079825684
Energy: 1.596224646634671
Energy: 1.2562293443917658
Energy: 1.4829835931690079
Energy: 1.4801008421215056
Energy: 1.4829835931690079
Energy: 1.2562293443917658
Energy: 1.4829835931690079
Energy: 1.2559015712450947
Energy: 1.3713994483329157
Energy: 1.3723110849174258
Energy: 1.3713994483338363
Energy: 1.2559015712450947
Energy: 1.3713994483329157
Energy: 1.2723408842604649
Energy: 1.3421218950701035
Energy: 1.2720750692499052
Energy: 1.3421218950701035
Energy: 1.2723408842604649
Energy: 1.3421218950701035
Energy: 1.2546253672702412
Energy: 1.520867249151843
Energy: 1.472849502530017
Energy: 1.520867249151843
Energy: 1.2546253672702412
Energy: 1.520867249151843
Energy: 1.6090648747521594
Energy: 1.5514078675709253
Energy: 1.2920684425489803
Energy: 1.551407867571846
Energy: 1.6090648747521594
Energy: 1.5514078675709253
Energy: 1.3124457846550384
Energy: 1.5245254010934963
Energy: 1.4381910312495525
Energy: 1.5245254010925755
Energy: 1.3124457846550384
Energy: 1.5245254010907343
Energy: 1.4730884251022351
Energy: 1.5206957328384427
Energy: 1.256201829334509
Energy: 1.5206957328384427
Energy: 1.4730884251022351
Energy: 1.5206957328384427
Energy: 1.2719334238754127
Energy: 1.371468200042982
Energy: 1.2699393448309888
Energy: 1.3714682000411405
Energy: 1.2719334238754127
Energy: 1.3714682000448024
Energy: 1.2590862387862647
Energy: 1.3725049606634747
Energy: 1.2544519915546974
Energy: 1.3725049606634747
Energy: 1.2590862387871853
Energy: 1.3725049606634747
Energy: 1.470488268581611
Energy: 1.3979031502894443
Energy: 1.2548573742878275
Energy: 1.3979031502949686
Energy: 1.4704882685825316
Energy: 1.39790315028392
Energy: 1.5368910494490797
Energy: 1.5972814350016007
Energy: 1.482452116241797
Energy: 1.59728143500068
Energy: 1.5368910494481591
Energy: 1.5972814350025215
Energy: 1.27023231280716
Energy: 1.457453796885522
Energy: 1.2788251654990717
Energy: 1.457453796885522
Energy: 1.27023231280716
Energy: 1.457453796885522
Energy: 1.25647913702758
Energy: 1.3421539534341935
Energy: 1.5438336521345781
Energy: 1.3421539534351141
Energy: 1.2564791370266595
Energy: 1.3421539534341935
Energy: 1.2552296370020777
Energy: 1.280620334697149
Energy: 1.255652275597675
Energy: 1.280620334697149
Energy: 1.2552296369864258
Energy: 1.280620334697149
Energy: 1.2912918635749804
Energy: 1.4385461084177247
Energy: 1.2767707874945322
Energy: 1.4385461084186455
Energy: 1.2912918635749804
Energy: 1.4385461084186455
Energy: 1.4736126604475057
Energy: 1.4691376947305503
Energy: 1.4877340539922264
Energy: 1.4691376947830082
Energy: 1.4736126604475057
Energy: 1.4691376948050838
Energy: 1.2712844941602923
Energy: 1.4405021759262622
Energy: 1.2915613163273558
Energy: 1.4405021759262622
Energy: 1.2712844941612131
Energy: 1.4405021759262622
Energy: 1.2591011390459654
Energy: 1.2791254254548805
Energy: 1.2744841027008607
Energy: 1.2791254254548805
Energy: 1.2591011390459654
Energy: 1.2791254254548805
Energy: 1.2600059682547509
Energy: 1.3735335046998316
Energy: 1.2569223280665909
Energy: 1.3735335047007526
Energy: 1.2600059682547509
Energy: 1.3735335046998316
Energy: 1.258504048385095
Energy: 1.5747680276526221
Energy: 1.6154550936626841
Energy: 1.5747680276526221
Energy: 1.258504048385095
Energy: 1.5747680276526221

minimum gb energy = 1.254110288976515 eV
minimum distance =  2.19081381274515 Angstroms
sigma value = 57


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

Energy: 1.3664029979388392
Energy: 1.3548493278643643
Energy: 1.8049795367809383
Energy: 1.3548493278643643
Energy: 1.3664029979388392
Energy: 1.3548493278643643
Energy: 1.322826435703674
Energy: 1.3345550618846593
Energy: 1.3111303176246147
Energy: 1.3345550618862978
Energy: 1.3228264357020356
Energy: 1.3345550618862978
Energy: 1.3181642500369872
Energy: 1.3603522677260467
Energy: 1.3116428692463447
Energy: 1.3603522677276851
Energy: 1.3181642500419022
Energy: 1.3603522677260467
Energy: 1.311838323724858
Energy: 1.7374382294347621
Energy: 1.3125768785400225
Energy: 1.7374382294347621
Energy: 1.3118383237264963
Energy: 1.7374382294347621
Energy: 1.3116083178221254
Energy: 1.3602851146547548
Energy: 1.3125124469635387
Energy: 1.360285114656393
Energy: 1.311608317820487
Energy: 1.3602851146547548
Energy: 1.3174221759134728
Energy: 1.3346568122505424
Energy: 1.322571054306797
Energy: 1.3346568122505424
Energy: 1.3174221759134728
Energy: 1.3346568122505424
Energy: 1.8049795367809383
Energy: 1.3548493278643643
Energy: 1.3664029979388392
Energy: 1.3548493278643643
Energy: 1.8049795367792998
Energy: 1.3548493278643643
Energy: 1.3111303176246147
Energy: 1.3345550618846593
Energy: 1.3228264357020356
Energy: 1.3345550618846593
Energy: 1.3111303176246147
Energy: 1.3345550618846593
Energy: 1.3116428692463447
Energy: 1.3603522677260467
Energy: 1.3181642500386255
Energy: 1.3603522677260467
Energy: 1.3116428692463447
Energy: 1.3603522677260467
Energy: 1.312576878538384
Energy: 1.7374382294347621
Energy: 1.311838323724858
Energy: 1.7374382294347621
Energy: 1.3125768785400225
Energy: 1.7374382294347621
Energy: 1.312512446965177
Energy: 1.3602851146547548
Energy: 1.3116083178221254
Energy: 1.3602851146547548
Energy: 1.312512446965177
Energy: 1.3602851146547548
Energy: 1.3225710543051585
Energy: 1.3346568122505424
Energy: 1.3174221759118343
Energy: 1.3346568122505424
Energy: 1.3225710543051585
Energy: 1.3346568122505424
Energy: 1.3664029979388392
Energy: 1.3548493278643643
Energy: 1.6167940596900945
Energy: 1.3548493278643643
Energy: 1.3664029979388392
Energy: 1.3548493278643643
Energy: 1.3228264357020356
Energy: 1.3345550618862978
Energy: 1.3111303176246147
Energy: 1.3345550618846593
Energy: 1.3228264357020356
Energy: 1.3345550618846593
Energy: 1.3181642500369872
Energy: 1.3603522677260467
Energy: 1.3116428692463447
Energy: 1.3603522677260467
Energy: 1.3181642500386255
Energy: 1.3603522677260467
Energy: 1.3118383237281348
Energy: 1.7374382294347621
Energy: 1.3125768785400225
Energy: 1.7374382294347621
Energy: 1.3118383237281348
Energy: 1.7374382294347621
Energy: 1.3116083178221254
Energy: 1.3602851146547548
Energy: 1.3125124469635387
Energy: 1.3602851146547548
Energy: 1.3116083178221254
Energy: 1.3602851146547548

minimum gb energy = 1.3111303176246147 eV
minimum distance =  2.22279298987808 Angstroms
sigma value = 9


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

Energy: 1.4632771676185612
Energy: 1.4304399557741203
Energy: 1.6922451521367081
Energy: 1.4304399557741203
Energy: 1.4632771676172234
Energy: 1.4304399557741203
Energy: 1.3712707718174177
Energy: 1.437348963189918
Energy: 1.345254088912532
Energy: 1.437348963191256
Energy: 1.3712707718174177
Energy: 1.4373489631872425
Energy: 1.3493818277239287
Energy: 1.4077144127482213
Energy: 1.346882924128548
Energy: 1.4077144127482213
Energy: 1.3493818277239287
Energy: 1.4077144127468837
Energy: 1.3494394186198655
Energy: 1.3377372213187333
Energy: 1.3766553315902406
Energy: 1.337737221320071
Energy: 1.3494394186212029
Energy: 1.337737221320071
Energy: 1.3704611817448358
Energy: 1.431817704979282
Energy: 1.3479585387535646
Energy: 1.431817704979282
Energy: 1.3704611817448358
Energy: 1.431817704979282
Energy: 1.3488447078376842
Energy: 1.3644130151907228
Energy: 1.5650108445793085
Energy: 1.3644130151907228
Energy: 1.3488447078376842
Energy: 1.3644130151907228
Energy: 1.35180120796202
Energy: 1.4085963191852235
Energy: 1.3485490498835426
Energy: 1.4085963191852235
Energy: 1.35180120796202
Energy: 1.4085963191838857
Energy: 1.3979491625592924
Energy: 1.4768086733129968
Energy: 1.3455875828260269
Energy: 1.4768086733143344
Energy: 1.3979491625579545
Energy: 1.4768086733143344
Energy: 1.3976832002769684
Energy: 1.4050135084395976
Energy: 1.3532396224564993
Energy: 1.4050135084395976
Energy: 1.3976832002769684
Energy: 1.40501350843826
Energy: 1.351053217554364
Energy: 1.447245099823803
Energy: 1.3632473790199549
Energy: 1.447245099823803
Energy: 1.351053217554364
Energy: 1.447245099823803
Energy: 1.3516516752099732
Energy: 1.3516829074486267
Energy: 1.376863140290743
Energy: 1.3516829074486267
Energy: 1.3516516752099732
Energy: 1.3516829074486267
Energy: 1.3484821026716698
Energy: 1.408130640981508
Energy: 1.410427368779765
Energy: 1.408130640981508
Energy: 1.3484821026716698
Energy: 1.408130640981508
Energy: 1.3508146455948469
Energy: 1.4097092651664418
Energy: 1.4008456611435243
Energy: 1.4097092651677796
Energy: 1.3508146455948469
Energy: 1.4097092651677796
Energy: 1.3484261913359856
Energy: 1.3772860200963113
Energy: 1.3512317139706462
Energy: 1.3772860200963113
Energy: 1.3484261913359856
Energy: 1.3772860200963113
Energy: 1.5376095711175997
Energy: 1.446787728962062
Energy: 1.3609290444651896
Energy: 1.446787728962062
Energy: 1.5376095711175997
Energy: 1.446787728962062
Energy: 1.397565473666939
Energy: 1.4051949663783339
Energy: 1.3849574457251272
Energy: 1.405194966376996
Energy: 1.397565473665601
Energy: 1.4051949663783339
Energy: 1.403500997120623
Energy: 1.4046626667528999
Energy: 1.3777938731509534
Energy: 1.4046626667528999
Energy: 1.403500997120623
Energy: 1.4046626667528999
Energy: 1.4383186662862317
Energy: 1.445315120681667
Energy: 1.3628372308694467
Energy: 1.445315120681667
Energy: 1.4383186662848941
Energy: 1.445315120681667
Energy: 1.3512047479042848
Energy: 1.3395109292997176
Energy: 1.3533711859362376
Energy: 1.3395109293010556
Energy: 1.351204747902947
Energy: 1.3395109292997176
Energy: 1.349357568018317
Energy: 1.4305154519556202
Energy: 1.3468771565382849
Energy: 1.4305154519542826
Energy: 1.3493575680196546
Energy: 1.4305154519542826
Energy: 1.35117252787254
Energy: 1.3388693515389032
Energy: 1.380692038401852
Energy: 1.3388693515389032
Energy: 1.35117252787254
Energy: 1.3388693515375654

minimum gb energy = 1.3377372213187333 eV
minimum distance =  2.22365008661127 Angstroms
sigma value = 27


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

Energy: 1.4480929850743407
Energy: 1.4928014977852482
Energy: 1.5677151638381197
Energy: 1.4928014977852482
Energy: 1.448092985073213
Energy: 1.4928014977852482
Energy: 1.317907494006432
Energy: 1.4297144326639286
Energy: 1.3426623924553585
Energy: 1.4297144326650562
Energy: 1.317907494006432
Energy: 1.429714432662801
Energy: 1.3430222782892618
Energy: 1.4512018691891042
Energy: 1.3426802242546023
Energy: 1.4512018691902315
Energy: 1.3430222782892618
Energy: 1.4512018691891042
Energy: 1.348945745212527
Energy: 1.3489563054932776
Energy: 1.432705525130431
Energy: 1.3489563054932776
Energy: 1.3489457452113995
Energy: 1.3489563054932776
Energy: 1.3179614387147032
Energy: 1.4781583308881385
Energy: 1.343775484596758
Energy: 1.4781583308881385
Energy: 1.3179614387147032
Energy: 1.4781583308881385
Energy: 1.3581404940642883
Energy: 1.360774797592059
Energy: 1.3584072476975857
Energy: 1.3607747975909312
Energy: 1.3581404940642883
Energy: 1.3607747975909312
Energy: 1.34973384615948
Energy: 1.3680069601508267
Energy: 1.3445026013163097
Energy: 1.3680069601508267
Energy: 1.34973384615948
Energy: 1.3680069601508267
Energy: 1.3291362760823775
Energy: 1.3687066217526953
Energy: 1.3437940125082366
Energy: 1.3687066217515678
Energy: 1.3291362760823775
Energy: 1.3687066217515678
Energy: 1.3937680069795915
Energy: 1.3467809390829122
Energy: 1.4242034259043017
Energy: 1.3467809390829122
Energy: 1.3937680069795915
Energy: 1.3467809390829122
Energy: 1.3297516576372759
Energy: 1.4416559995190066
Energy: 1.398750965247439
Energy: 1.4416559995201343
Energy: 1.3297516576372759
Energy: 1.4416559995201343
Energy: 1.3298519710337493
Energy: 1.4416222373429814
Energy: 1.3986900747037165
Energy: 1.4416222373429814
Energy: 1.3298519710337493
Energy: 1.4416222373429814
Energy: 1.3938752833288444
Energy: 1.3461227517572716
Energy: 1.4248962232420144
Energy: 1.3461227517527612
Energy: 1.393875283329972
Energy: 1.3461227517606542
Energy: 1.3292103375598565
Energy: 1.3688642213735993
Energy: 1.3444993065107134
Energy: 1.368864221374727
Energy: 1.3292103375587287
Energy: 1.368864221374727
Energy: 1.349703211115621
Energy: 1.3679942651667025
Energy: 1.3435431355385086
Energy: 1.3679942651667025
Energy: 1.349703211115621
Energy: 1.3679942651667025
Energy: 1.3581446963376
Energy: 1.3608256311268028
Energy: 1.358054690249192
Energy: 1.3608256311268028
Energy: 1.3581446963387276
Energy: 1.3608256311268028
Energy: 1.3174340899368773
Energy: 1.4781583308881385
Energy: 1.343379352896361
Energy: 1.4781583308881385
Energy: 1.3174340899368773
Energy: 1.4781583308881385
Energy: 1.3487424429772472
Energy: 1.350482288951876
Energy: 1.334048042763069
Energy: 1.3504822889507482
Energy: 1.3487424429772472
Energy: 1.3504822889507482
Energy: 1.3430006828197778
Energy: 1.451075240089721
Energy: 1.3427399650722838
Energy: 1.4510752400953593
Energy: 1.3430006828197778
Energy: 1.451075240102125
Energy: 1.3178233292524313
Energy: 1.42983231595137
Energy: 1.342735200693644
Energy: 1.4298323159581352
Energy: 1.3178233292524313
Energy: 1.4298323159547526
Energy: 1.4480929850743407
Energy: 1.4928014977852482
Energy: 1.5187731639095376
Energy: 1.4928014977852482
Energy: 1.4480929850743407
Energy: 1.4928014977852482
Energy: 1.317907494006432
Energy: 1.4297144326639286
Energy: 1.3426623924553585
Energy: 1.429714432662801
Energy: 1.317907494006432
Energy: 1.4297144326639286
Energy: 1.3430222782892618
Energy: 1.4512018691902315
Energy: 1.3426802242546023
Energy: 1.4512018691891042
Energy: 1.3430222782903893
Energy: 1.4512018691891042
Energy: 1.348945745212527
Energy: 1.3489563054932776
Energy: 1.530015870938243
Energy: 1.3489563054932776
Energy: 1.348945745212527
Energy: 1.3489563054932776
Energy: 1.3179614387147032
Energy: 1.4781583308881385
Energy: 1.3437754845956305
Energy: 1.4781583308881385
Energy: 1.3179614387147032
Energy: 1.4781583308881385
Energy: 1.3581404940642883
Energy: 1.3607747975909312
Energy: 1.3584072476975857
Energy: 1.360774797592059
Energy: 1.3581404940642883
Energy: 1.3607747975909312

minimum gb energy = 1.3174340899368773 eV
minimum distance =  2.2277649693759 Angstroms
sigma value = 19


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

Energy: 1.470143847120474
Energy: 1.2715304760519657
Energy: 1.532955429868591
Energy: 1.2715304760616992
Energy: 1.470143847120474
Energy: 1.2715304760607258
Energy: 1.2743329973612467
Energy: 1.3985479157852077
Energy: 1.2561423549286634
Energy: 1.3985479157842342
Energy: 1.2743329973612467
Energy: 1.3985479157842342
Energy: 1.272465488174662
Energy: 1.3469019596816296
Energy: 1.2563918873246924
Energy: 1.3469019596816296
Energy: 1.272465488174662
Energy: 1.3469019596816296
Energy: 1.3207091235360315
Energy: 1.3758007458390704
Energy: 1.2963241249393964
Energy: 1.3758007458390704
Energy: 1.320709123537005
Energy: 1.3758007458390704
Energy: 1.2852066523132233
Energy: 1.305671607099607
Energy: 1.3011844896819467
Energy: 1.305671607099607
Energy: 1.2852066523132233
Energy: 1.305671607099607
Energy: 1.2746493194686213
Energy: 1.3580193756701795
Energy: 1.299743289528612
Energy: 1.3580193756701795
Energy: 1.2746493194686213
Energy: 1.358019375669206
Energy: 1.293771136106821
Energy: 1.3685296504216944
Energy: 1.295053090372251
Energy: 1.3685296504216944
Energy: 1.2937711361058477
Energy: 1.3685296504216944
Energy: 1.2851528881404481
Energy: 1.3049190535862585
Energy: 1.3005422699526161
Energy: 1.3049190535862585
Energy: 1.2851528881394745
Energy: 1.3049190535872317
Energy: 1.2935260171095384
Energy: 1.3580245345882052
Energy: 1.333080918550646
Energy: 1.3580245345872317
Energy: 1.2935260171095384
Energy: 1.3580245345882052
Energy: 1.2848344757719705
Energy: 1.3783056218714362
Energy: 1.2564561623296007
Energy: 1.3783056218714362
Energy: 1.2848344757719705
Energy: 1.3783056218714362
Energy: 1.2835939480895022
Energy: 1.3606628111983903
Energy: 1.28815752316756
Energy: 1.3606628111983903
Energy: 1.2835939480895022
Energy: 1.3606628111983903
Energy: 1.2993734711464329
Energy: 1.4548273944796384
Energy: 1.2569192352256469
Energy: 1.4548273944796384
Energy: 1.2993734711454596
Energy: 1.4548273944806118
Energy: 1.2990130178213795
Energy: 1.4544837066142289
Energy: 1.2564097239581264
Energy: 1.4544837066064422
Energy: 1.2990130178204062
Energy: 1.4544837066113088
Energy: 1.2722435922960933
Energy: 1.361099292115562
Energy: 1.370704191473834
Energy: 1.361099292115562
Energy: 1.2722435922970667
Energy: 1.361099292115562
Energy: 1.2934300398481091
Energy: 1.3753974645350617
Energy: 1.2567394967817098
Energy: 1.3753974645350617
Energy: 1.2934300398481091
Energy: 1.3753974645340885
Energy: 1.2919267293354413
Energy: 1.3047927936761394
Energy: 1.2582908007341722
Energy: 1.3047927936761394
Energy: 1.2919267293354413
Energy: 1.3047927936761394
Energy: 1.2724561784632982
Energy: 1.3042803884426326
Energy: 1.2580345205229266
Energy: 1.3042803884436058
Energy: 1.2724561784623247
Energy: 1.3042803884436058
Energy: 1.2919788552906153
Energy: 1.445743540613577
Energy: 1.2564328387127632
Energy: 1.445743540613577
Energy: 1.291978855289642
Energy: 1.4457435406145505
Energy: 1.2724149843958583
Energy: 1.3042469047248229
Energy: 1.2580445156757316
Energy: 1.3042469047248229
Energy: 1.2724149843948849
Energy: 1.3042469047248229
Energy: 1.2919343453833652
Energy: 1.3048195326998253
Energy: 1.258261014437108
Energy: 1.3048195327007985
Energy: 1.2919343453833652
Energy: 1.3048195326998253
Energy: 1.2935481761897505
Energy: 1.3761559832017747
Energy: 1.2576657866240102
Energy: 1.3761559832017747
Energy: 1.2935481761897505
Energy: 1.3761559832017747
Energy: 1.2720792417343738
Energy: 1.3613160678356342
Energy: 1.3706703262956947
Energy: 1.3613160678356342
Energy: 1.2720792417343738
Energy: 1.3613160678356342
Energy: 1.2989275647977172
Energy: 1.4556261927661938
Energy: 1.2562068985087411
Energy: 1.455626192767167
Energy: 1.2989275647977172
Energy: 1.455626192767167
Energy: 1.2990564387000836
Energy: 1.4548516566341791
Energy: 1.2571915917346925
Energy: 1.4548516566380723
Energy: 1.2990564387000836
Energy: 1.4548516566351524
Energy: 1.2835668420375486
Energy: 1.3602459703713605
Energy: 1.2581052996596191
Energy: 1.3602459703723337
Energy: 1.283566842038522
Energy: 1.3602459703713605
Energy: 1.2846195217466576
Energy: 1.3784588619250364
Energy: 1.2564584751738321
Energy: 1.3784588619260096
Energy: 1.2846195217466576
Energy: 1.3784588619269833
Energy: 1.2936098025338822
Energy: 1.3580916365434728
Energy: 1.3459529567553197
Energy: 1.3580916365434728
Energy: 1.2936098025338822
Energy: 1.3580916365434728
Energy: 1.2850770107433889
Energy: 1.3050647717953567
Energy: 1.30062999307499
Energy: 1.3050647717953567
Energy: 1.2850770107433889
Energy: 1.3050647717953567
Energy: 1.2939249007593185
Energy: 1.3685296504216944
Energy: 1.2950802628054596
Energy: 1.3685296504226678
Energy: 1.2939249007602918
Energy: 1.3685296504226678

minimum gb energy = 1.2561423549286634 eV
minimum distance =  2.21872268751125 Angstroms
sigma value = 101


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

Energy: 1.4516501760286173
Energy: 1.3275253542937524
Energy: 1.469953659312826
Energy: 1.3275253542928966
Energy: 1.4516501760277618
Energy: 1.3275253542937524
Energy: 1.234090873665345
Energy: 1.329739785945592
Energy: 1.2335060211061852
Energy: 1.3297397859447362
Energy: 1.2340908736662006
Energy: 1.3297397859447362
Energy: 1.2181231584805134
Energy: 1.3364921720598764
Energy: 1.2596572932073722
Energy: 1.336492172060732
Energy: 1.2181231584805134
Energy: 1.336492172060732
Energy: 1.2523829205575536
Energy: 1.2946498680459415
Energy: 1.2408843531029214
Energy: 1.2946498680450862
Energy: 1.2523829205575536
Energy: 1.2946498680459415
Energy: 1.2069621300049882
Energy: 1.2772347068287953
Energy: 1.2183722773407488
Energy: 1.277234706829651
Energy: 1.2069621300049882
Energy: 1.2772347068287953
Energy: 1.2210090592623863
Energy: 1.3412062158761893
Energy: 1.2060455182981973
Energy: 1.3412062158761893
Energy: 1.2210090592615308
Energy: 1.3412062158761893
Energy: 1.2183292528048681
Energy: 1.3482050766962268
Energy: 1.2068966769837781
Energy: 1.3482050766962268
Energy: 1.2183292528048681
Energy: 1.3482050766970823
Energy: 1.2177884746827126
Energy: 1.3463680134644538
Energy: 1.2179901926162033
Energy: 1.3463680134644538
Energy: 1.217788474681857
Energy: 1.3463680134635982
Energy: 1.20643792830381
Energy: 1.314443225294156
Energy: 1.218571473454982
Energy: 1.314443225294156
Energy: 1.2064379283046656
Energy: 1.314443225294156
Energy: 1.2063944742170714
Energy: 1.3031771454148424
Energy: 1.207039369338375
Energy: 1.30317714542511
Energy: 1.2063944742179271
Energy: 1.3031771454148424
Energy: 1.2675867718033837
Energy: 1.2913822649576243
Energy: 1.286344185393931
Energy: 1.2913822649576243
Energy: 1.2675867718025284
Energy: 1.2913822649576243
Energy: 1.2333873519551455
Energy: 1.335012002828948
Energy: 1.2059720625652142
Energy: 1.3350120028298036
Energy: 1.2333873519551455
Energy: 1.3350120028298036
Energy: 1.2350502436464637
Energy: 1.3365221751899832
Energy: 1.2522407961900002
Energy: 1.3365221751899832
Energy: 1.235050243647319
Energy: 1.3365221751891274
Energy: 1.2584123542525347
Energy: 1.2355007625740304
Energy: 1.2341650643854214
Energy: 1.2355007625731746
Energy: 1.2584123542525347
Energy: 1.2355007625740304
Energy: 1.2057530949413449
Energy: 1.5181434083115726
Energy: 1.2335233774216088
Energy: 1.5181434083124283
Energy: 1.2057530949413449
Energy: 1.5181434083115726
Energy: 1.277922064239112
Energy: 1.3359702389355321
Energy: 1.2173759596214202
Energy: 1.3359702389355321
Energy: 1.2779220642399676
Energy: 1.3359702389346761
Energy: 1.2072553001630906
Energy: 1.344880826559492
Energy: 1.2513504515046752
Energy: 1.3448808265603476
Energy: 1.2072553001630906
Energy: 1.344880826557781
Energy: 1.21787857705023
Energy: 1.2774979681400394
Energy: 1.20622555770944
Energy: 1.277497968140895
Energy: 1.21787857705023
Energy: 1.2774979681400394
Energy: 1.2163724641280418
Energy: 1.3010567131478068
Energy: 1.2190572595886233
Energy: 1.3010567131486626
Energy: 1.2163724641280418
Energy: 1.3010567131478068
Energy: 1.2067470457946998
Energy: 1.4234599361116549
Energy: 1.2065964875139645
Energy: 1.4234599361107994
Energy: 1.2067470457938443
Energy: 1.4234599361116549
Energy: 1.2290013006968454
Energy: 1.2766542751145336
Energy: 1.2184772464277829
Energy: 1.276654275113678
Energy: 1.22900130069599
Energy: 1.2766542751145336
Energy: 1.2060749410412441
Energy: 1.3014974550007183
Energy: 1.2061538997273429
Energy: 1.3014974489080309
Energy: 1.2060749410403886
Energy: 1.3014974583600405
Energy: 1.2186311671248482
Energy: 1.3018061859187
Energy: 1.2066559574819509
Energy: 1.3018061859187
Energy: 1.2186311671248482
Energy: 1.3018061859187
Energy: 1.2522240063418997
Energy: 1.346108168342925
Energy: 1.265523131733723
Energy: 1.346108168342925
Energy: 1.2522240063418997
Energy: 1.346108168342925
Energy: 1.2067534804483369
Energy: 1.4491164773197718
Energy: 1.2058307397439976
Energy: 1.4491164773189162
Energy: 1.2067534804483369
Energy: 1.4491164773197718
Energy: 1.2324221365052674
Energy: 1.3355205434807664
Energy: 1.2781686874415938
Energy: 1.3355205434807664
Energy: 1.2324221365052674
Energy: 1.3355205434790551
Energy: 1.2343418561882842
Energy: 1.398786034420415
Energy: 1.206407799511203
Energy: 1.3987860344195595
Energy: 1.2343418561882842
Energy: 1.398786034420415
Energy: 1.2344035282021353
Energy: 1.5291620054446098
Energy: 1.2067195276439744
Energy: 1.5291620054454658
Energy: 1.2344035282021353
Energy: 1.5291620054454658
Energy: 1.3229871496901222
Energy: 1.4089922341274288
Energy: 1.3109538176126108
Energy: 1.4089922341265733
Energy: 1.322987149689267
Energy: 1.4089922341274288
Energy: 1.2061769287617714
Energy: 1.376322834319909
Energy: 1.2065672182096152
Energy: 1.376322834319909
Energy: 1.2061769287609159
Energy: 1.3763228343190532
Energy: 1.2514334220788201
Energy: 1.3458415199214524
Energy: 1.2190956478195911
Energy: 1.3458415199205969
Energy: 1.2514334220788201
Energy: 1.3458415199214524
Energy: 1.2326289699466708
Energy: 1.3012530796939086
Energy: 1.2059315493891394
Energy: 1.3012530796939086
Energy: 1.2326289699458153
Energy: 1.3012530796930528
Energy: 1.2067067562067473
Energy: 1.3212701115412417
Energy: 1.2181527395712468
Energy: 1.3212701115403862
Energy: 1.2067067562067473
Energy: 1.3212701115420975

minimum gb energy = 1.2057530949413449 eV
minimum distance =  2.22496760803851 Angstroms
sigma value = 33


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

Energy: 0.014458680081166053
Energy: 0.015110037168549022
Energy: 1.3542589559858844
Energy: 0.015110037167838122
Energy: 0.014458680081166053
Energy: 0.015110037168549022
Energy: 0.01460698899802216
Energy: 0.6564993772066146
Energy: 0.01460698899731126
Energy: 0.6564993772066146
Energy: 0.01460698899802216
Energy: 0.6564993772066146
Energy: 1.3542589559858844
Energy: 0.015110037167838122
Energy: 0.014458680081166053
Energy: 0.015110037168549022
Energy: 1.3542589559858844
Energy: 0.015110037167838122
Energy: 0.01460698899731126
Energy: 0.6564993772066146
Energy: 0.01460698899802216
Energy: 0.6564993772066146
Energy: 0.01460698899802216
Energy: 0.6564993772066146

minimum gb energy = 0.014458680081166053 eV
minimum distance =  2.41169240409835 Angstroms
sigma value = 1