Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000077366829
cohesive_energy=4.450350029951057
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.018158097614028035
Energy: 0.019240180524636982
Energy: 0.33373225817151614
Energy: 0.019240180524636982
Energy: 0.019240180524636982
Energy: 1.3940159120610207
Energy: 0.019240180524636982
Energy: 1.3940159120610207
Energy: 0.33373225817151614
Energy: 0.019240180523975456
Energy: 0.018158097614028035
Energy: 0.019240180524636982
Energy: 0.019240180524636982
Energy: 1.3940159120610207
Energy: 0.019240180523975456
Energy: 1.3940159120610207

minimum gb energy = 0.018158097614028035 eV
minimum distance =  2.43123960693172 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.5765087231510218
Energy: 1.665295564514614
Energy: 1.5042429530664756
Energy: 1.665295564514614
Energy: 1.4840216365268002
Energy: 1.5841780299032948
Energy: 1.4940920919381278
Energy: 1.5841780299032948
Energy: 1.3974432655437543
Energy: 1.6468115393813052
Energy: 1.4640210791682138
Energy: 1.6468115393805032
Energy: 1.4711307164493472
Energy: 1.548024362770589
Energy: 1.4360594906050959
Energy: 1.5480243627697865
Energy: 1.4502890756359135
Energy: 1.6682294943213944
Energy: 1.4615383737873313
Energy: 1.6682294943246034
Energy: 1.407105833370842
Energy: 1.5906906576609836
Energy: 1.383745424338899
Energy: 1.5906906576609836
Energy: 1.4879219178185843
Energy: 1.6432476964893385
Energy: 1.4087337063719871
Energy: 1.6432476964901408
Energy: 1.3225344943352675
Energy: 1.672967752578373
Energy: 1.3753786150807714
Energy: 1.6729677525799778
Energy: 1.437517885709408
Energy: 1.4696962647607332
Energy: 1.482835129820339
Energy: 1.4696962647615355
Energy: 1.3770823391855964
Energy: 1.6456651385535737
Energy: 1.309510301926851
Energy: 1.6456651385535737
Energy: 1.4991143474456496
Energy: 1.5844689335276663
Energy: 1.4417221651237937
Energy: 1.5844689335284687
Energy: 1.4408779092504387
Energy: 1.6725817839059969
Energy: 1.399574784210343
Energy: 1.6725817839076011
Energy: 1.4920726576589323
Energy: 1.6429368142639988
Energy: 1.4890727957943672
Energy: 1.6429368142639988
Energy: 1.4639265847258291
Energy: 1.5840326113750305
Energy: 1.420653045934769
Energy: 1.5840326113734258
Energy: 1.4609524583223474
Energy: 1.6679260577071613
Energy: 1.4828758000759188
Energy: 1.6679260577087656
Energy: 1.4606391232595846
Energy: 1.6671287508544474
Energy: 1.4828665035213406
Energy: 1.667128750852843
Energy: 1.4639823690897888
Energy: 1.6466833716812728
Energy: 1.3757264173702597
Energy: 1.6466833716812728
Energy: 1.494428528535197
Energy: 1.5739206926736415
Energy: 1.514326041054673
Energy: 1.573920692674444
Energy: 1.3267377137607597
Energy: 1.6702329865005199
Energy: 1.3981421175626758
Energy: 1.6702329864989154
Energy: 1.5133293785827977
Energy: 1.4683152224452525
Energy: 1.4362824316829763
Energy: 1.4683152224452525
Energy: 1.3788781049077086
Energy: 1.6464503074551533
Energy: 1.307453321117349
Energy: 1.6464503074535488
Energy: 1.4373557004176516
Energy: 1.4785362033579552
Energy: 1.4846106797532372
Energy: 1.4785362033587577
Energy: 1.4606889761593584
Energy: 1.6678712267115468
Energy: 1.3861367005095215
Energy: 1.6678712267115468
Energy: 1.4283823690791382
Energy: 1.6473949727984685
Energy: 1.4071357291622972
Energy: 1.6473949728000727
Energy: 1.408601816372392
Energy: 1.5882830792267926
Energy: 1.4883307855928554
Energy: 1.5882830792243858
Energy: 1.4461791253345462
Energy: 1.6734350756874217
Energy: 1.4087297335707414
Energy: 1.6734350756874217
Energy: 1.469288798141914
Energy: 1.550612566108588
Energy: 1.439976093604119
Energy: 1.550612566108588
Energy: 1.3994465976758708
Energy: 1.6429036261865677
Energy: 1.5434543843632982
Energy: 1.6429036261841607
Energy: 1.4823360154701404
Energy: 1.542002665400943
Energy: 1.4853680300229466
Energy: 1.542002665400141
Energy: 1.575116475942972
Energy: 1.6667343576955973
Energy: 1.4451823273039202
Energy: 1.6667343576931903
Energy: 1.4889934308667583
Energy: 1.6102091921470558
Energy: 1.4920001804594691
Energy: 1.6102091921462536
Energy: 1.4329928257016735
Energy: 1.643630611773667
Energy: 1.4637455709208933
Energy: 1.64363061177126
Energy: 1.4504241379400182
Energy: 1.6113971515906702
Energy: 1.4358375156318595
Energy: 1.6113971515906702

minimum gb energy = 1.307453321117349 eV
minimum distance =  2.25978962768254 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.681449808907635
Energy: 1.7730416138768639
Energy: 1.5934223845195745
Energy: 1.7730416138741196
Energy: 1.5279503765348468
Energy: 1.6819993799441753
Energy: 1.5561636903821858
Energy: 1.6819993799423458
Energy: 1.4690886943789303
Energy: 1.7748594049096744
Energy: 1.5287531770198846
Energy: 1.7748594049160364
Energy: 1.4602851902719765
Energy: 1.506903017370595
Energy: 1.461403645465152
Energy: 1.5069030173678506
Energy: 1.4609680760805632
Energy: 1.734306965429287
Energy: 1.501583009608364
Energy: 1.7343069654384347
Energy: 1.5378446639434422
Energy: 1.7327238822561393
Energy: 1.4530047063328817
Energy: 1.7327238822552244
Energy: 1.5234284980054738
Energy: 1.50735151391899
Energy: 1.4881352252008737
Energy: 1.5073515139162457
Energy: 1.3677366670156827
Energy: 1.7754270362700983
Energy: 1.4528872408879945
Energy: 1.7754270362700983
Energy: 1.4791673095543056
Energy: 1.5618131486850066
Energy: 1.5838862684558888
Energy: 1.56181314869141
Energy: 1.460283934450013
Energy: 1.7740029222219622
Energy: 1.4293840668093392
Energy: 1.7740029222219622
Energy: 1.5236389416892946
Energy: 1.529773808238669
Energy: 1.5562359923993299
Energy: 1.529773808223118
Energy: 1.420994403568438
Energy: 1.7557163761403616
Energy: 1.5287671037033705
Energy: 1.7557163761394468
Energy: 1.5891001105266878
Energy: 1.7429223516362082
Energy: 1.5016464977901012
Energy: 1.7429223516435264
Energy: 1.5891101514544237
Energy: 1.7430212882285019
Energy: 1.5412097979491912
Energy: 1.7430212882285019
Energy: 1.4209444046623996
Energy: 1.755615708714875
Energy: 1.5286551500770282
Energy: 1.7556157087231077
Energy: 1.5234176514928008
Energy: 1.5301295285510328
Energy: 1.5077441524108675
Energy: 1.5301295285400558
Energy: 1.460340934044295
Energy: 1.7737748283761392
Energy: 1.365416567093277
Energy: 1.7737748283733952
Energy: 1.4791639185641994
Energy: 1.5613903986755993
Energy: 1.583910897414815
Energy: 1.5613903986746844
Energy: 1.3676872262816135
Energy: 1.7752051208333883
Energy: 1.4529361511740408
Energy: 1.7752051208352178
Energy: 1.5233319028761607
Energy: 1.5074874180106808
Energy: 1.4613955079196426
Energy: 1.5074874180134252
Energy: 1.5377155444240809
Energy: 1.7325444709893703
Energy: 1.4912554782112384
Energy: 1.7325444709847968
Energy: 1.461048549755671
Energy: 1.734136194553765
Energy: 1.5016885214544762
Energy: 1.7341361945510205
Energy: 1.4603729565806136
Energy: 1.506777721144351
Energy: 1.5107188336861013
Energy: 1.50677772114801
Energy: 1.469108842266649
Energy: 1.7745519324137504
Energy: 1.5286736754724812
Energy: 1.7745519324128356
Energy: 1.5280196841477987
Energy: 1.6816965852896018
Energy: 1.5559599020232637
Energy: 1.6816965852969197
Energy: 1.681449808907635
Energy: 1.773041613875949
Energy: 1.4844654364082432
Energy: 1.7730416138741196
Energy: 1.5279503765348468
Energy: 1.6819993799441753
Energy: 1.5561636903821858
Energy: 1.6819993799423458
Energy: 1.469088694379845
Energy: 1.77485940490876
Energy: 1.5287531770189697
Energy: 1.7748594049151216
Energy: 1.4602851902738063
Energy: 1.506903017370595
Energy: 1.461403645465152
Energy: 1.5069030173678506

minimum gb energy = 1.365416567093277 eV
minimum distance =  2.26197999287164 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.6144373261919835
Energy: 1.8488328753934091
Energy: 1.6948261808272702
Energy: 1.8488328753923455
Energy: 1.6403845516084639
Energy: 1.6973631981729742
Energy: 1.5664166094294474
Energy: 1.6973631981729742
Energy: 1.5499835725494113
Energy: 1.9119882767785392
Energy: 1.5692816447262585
Energy: 1.9119882767796028
Energy: 1.5510171052272432
Energy: 1.601782628671731
Energy: 1.5324098107607365
Energy: 1.601782628671731
Energy: 1.5338185405891287
Energy: 1.8502910904355232
Energy: 1.612573825818741
Energy: 1.8502910904365866
Energy: 1.6527846658860013
Energy: 1.9138106084314905
Energy: 1.6436217623985157
Energy: 1.9138106084314905
Energy: 1.6409413610854493
Energy: 1.5821048263384236
Energy: 1.5837434003881403
Energy: 1.5821048263384236
Energy: 1.6978085650114951
Energy: 1.855705234397929
Energy: 1.4624104215079634
Energy: 1.8557052343968656
Energy: 1.5833163638344927
Energy: 1.7258373995218845
Energy: 1.6409343955084257
Energy: 1.7258373995218845
Energy: 1.5666615062978428
Energy: 1.9116787232785513
Energy: 1.5053328868898417
Energy: 1.9116787232785513
Energy: 1.6119375774785465
Energy: 1.8462460779359344
Energy: 1.6412933809248424
Energy: 1.8462460779338077
Energy: 1.5802055977656146
Energy: 1.8463006909268624
Energy: 1.5663288869812726
Energy: 1.846300690925799
Energy: 1.5691495840260248
Energy: 1.7525677443052503
Energy: 1.5098249442398584
Energy: 1.7525677443063135
Energy: 1.58440479718947
Energy: 1.6577405264806504
Energy: 1.6366117876781783
Energy: 1.6577405264827771
Energy: 1.4302769424106898
Energy: 1.858121978173344
Energy: 1.4587510624910107
Energy: 1.858121978173344
Energy: 1.6400236678203655
Energy: 1.5835141534871373
Energy: 1.5287771537772537
Energy: 1.5835141534871373
Energy: 1.429897875543543
Energy: 1.9118571876691157
Energy: 1.4301514036342147
Energy: 1.9118571876691157
Energy: 1.5320844061579622
Energy: 1.7584323170704657
Energy: 1.6130049775306043
Energy: 1.7584323170704657
Energy: 1.5558811000794306
Energy: 1.7576791020085445
Energy: 1.5333573215680578
Energy: 1.7576791020074811
Energy: 1.6404641575264682
Energy: 1.9124909942906194
Energy: 1.5659545313973289
Energy: 1.9124909942884927
Energy: 1.6001772386905224
Energy: 1.7207612874164389
Energy: 1.5659458754253097
Energy: 1.7207612874175022
Energy: 1.617168995292134
Energy: 1.851580934648128
Energy: 1.636984615899307
Energy: 1.8515809346470644
Energy: 1.6450183860667518
Energy: 1.7557226458383048
Energy: 1.5656650071206326
Energy: 1.7557226458372412
Energy: 1.5487331081156457
Energy: 1.9101117085628896
Energy: 1.5667480426255975
Energy: 1.9101117085628896
Energy: 1.640753919746431
Energy: 1.5996711905353895
Energy: 1.5302656948059292
Energy: 1.5996711905353895

minimum gb energy = 1.429897875543543 eV
minimum distance =  2.26424518704414 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.7062873432005472
Energy: 1.7058956586215313
Energy: 1.8108890720332385
Energy: 1.7058956586227998
Energy: 1.666712511665084
Energy: 1.8221267694447305
Energy: 1.682503584330041
Energy: 1.8221267694434617
Energy: 1.643347383541803
Energy: 1.7120778706213295
Energy: 1.690427391187728
Energy: 1.7120778706213295
Energy: 1.700286554652522
Energy: 1.6687277803491396
Energy: 1.5526303242357649
Energy: 1.6687277803491396
Energy: 1.7773709669411808
Energy: 1.8205476862295713
Energy: 1.6808143100115938
Energy: 1.8205476862333767
Energy: 1.4941932220461294
Energy: 1.710747160608517
Energy: 1.6925570381969863
Energy: 1.7107471606110538
Energy: 1.6981720674271967
Energy: 1.5527101122539324
Energy: 1.5538700745666505
Energy: 1.5527101122539324
Energy: 1.6428661977691577
Energy: 1.7107858410221952
Energy: 1.53911878807066
Energy: 1.7107858410209267
Energy: 1.699355764524253
Energy: 1.8215182254778408
Energy: 1.6808620663279674
Energy: 1.8215182254778408
Energy: 1.7095107839918848
Energy: 1.7073952441926117
Energy: 1.5559753424513707
Energy: 1.7073952441938802
Energy: 1.5954098014853402
Energy: 1.817481074994887
Energy: 1.6906294495126184
Energy: 1.817481074994887
Energy: 1.6995916921240697
Energy: 1.7580281478065616
Energy: 1.5526675629214441
Energy: 1.7580281478065616
Energy: 1.4936919337041974
Energy: 1.7127249141588818
Energy: 1.4989262183703844
Energy: 1.712724914157613
Energy: 1.6569477088063431
Energy: 1.7098651220887238
Energy: 1.6802379660239388
Energy: 1.7098651220887238
Energy: 1.4936975781074449
Energy: 1.7126358179433085
Energy: 1.6428776014182491
Energy: 1.712635817944577
Energy: 1.6993169131970345
Energy: 1.7575353126112823
Energy: 1.5527893656336484
Energy: 1.7575353126112823
Energy: 1.5955136800397638
Energy: 1.8174741912012948
Energy: 1.6905008074707124
Energy: 1.8174741912000267
Energy: 1.709304299000972
Energy: 1.707628781072276
Energy: 1.5561313250557627
Energy: 1.7076287810748128
Energy: 1.6993934145420737
Energy: 1.8214447688391404
Energy: 1.6808016782887751
Energy: 1.8214447688391404
Energy: 1.643167694685219
Energy: 1.7104544540342248
Energy: 1.53914588143726
Energy: 1.7104544540304192
Energy: 1.6981725625836062
Energy: 1.5527767106460963
Energy: 1.5538053093008608
Energy: 1.552776710644828

minimum gb energy = 1.4936919337041974 eV
minimum distance =  2.34019547632255 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.6126447765509089
Energy: 1.7400831277918565
Energy: 1.9909014751937355
Energy: 1.7400831277997006
Energy: 1.579729270744766
Energy: 1.8347968867059004
Energy: 1.5576126862550863
Energy: 1.8347968867059004
Energy: 1.5576025334350418
Energy: 1.7300206360170494
Energy: 1.5569029579949223
Energy: 1.7300206360170494
Energy: 1.612961547048875
Energy: 1.6770103105557463
Energy: 1.7575546379151938
Energy: 1.6770103105557463
Energy: 1.7541756189643025
Energy: 1.5795090275661527
Energy: 1.5570368953989684
Energy: 1.5795090275661527
Energy: 1.5628930047685772
Energy: 1.8443729848852495
Energy: 1.5576851569487116
Energy: 1.8443729848742683
Energy: 1.5569029333648834
Energy: 1.6765074788489405
Energy: 1.557493005986874
Energy: 1.6765074788473715
Energy: 1.7356396628186521
Energy: 1.8585397683047957
Energy: 1.6112434612515714
Energy: 1.8585397683534284
Energy: 1.5569697251094126
Energy: 1.72289112584887
Energy: 1.5829805015975036
Energy: 1.722891125831613
Energy: 1.8145661915369593
Energy: 1.7282307468462161
Energy: 1.5580966667185812
Energy: 1.7282307468462161
Energy: 1.7335202030737435
Energy: 1.676257461252319
Energy: 1.9280315523146485
Energy: 1.676257461214668
Energy: 1.5573392044968064
Energy: 1.6332063997763442
Energy: 1.8146045527380203
Energy: 1.6332063997763442
Energy: 1.7362613050819846
Energy: 1.6865245282222838
Energy: 1.5562446565684402
Energy: 1.6865245282254213
Energy: 1.5576528734890107
Energy: 1.6757681063065968
Energy: 1.6129808050158851
Energy: 1.6757681063238534
Energy: 1.5572396133153248
Energy: 1.9679120034792568
Energy: 1.7366647145970546
Energy: 1.9679120034776878
Energy: 1.5790949522359095
Energy: 1.7523264176208877
Energy: 1.5620989118975108
Energy: 1.7523264176381446
Energy: 1.557390163631646
Energy: 1.7089795161505656
Energy: 1.8124797211308674
Energy: 1.7089795161505656

minimum gb energy = 1.5562446565684402 eV
minimum distance =  2.32462714029543 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.7801957729704772
Energy: 1.7790045948698232
Energy: 2.0159559225274495
Energy: 1.7790045948698232
Energy: 1.8290344608052007
Energy: 1.7091683698925337
Energy: 1.5970608571141063
Energy: 1.7091683698934221
Energy: 1.790588547842937
Energy: 1.804878929962627
Energy: 1.5970701925725614
Energy: 1.8048789299644041
Energy: 1.5993680933729113
Energy: 1.905762313402177
Energy: 1.7182574289400505
Energy: 1.905762313402177
Energy: 1.8393946525347367
Energy: 1.7445946162983568
Energy: 1.5972892875679812
Energy: 1.7445946163010222
Energy: 1.6222432888102138
Energy: 1.6668125093448676
Energy: 1.7856319896751742
Energy: 1.6668125093466444
Energy: 1.6011635504524122
Energy: 1.7930312923456768
Energy: 1.5976389787620553
Energy: 1.7930312923439
Energy: 1.7851773516096927
Energy: 1.711147690517612
Energy: 1.6192267039847246
Energy: 1.7111476905167233
Energy: 1.623311454803917
Energy: 1.90907555925574
Energy: 1.824033228112696
Energy: 1.9090755592548514
Energy: 1.9399713221120376
Energy: 1.7420142240382788
Energy: 1.5978844308459719
Energy: 1.7420142240382788
Energy: 1.603623183053664
Energy: 1.8235711079385084
Energy: 1.7930919586948055
Energy: 1.823571107939397
Energy: 1.6200702688289348
Energy: 1.7904523909994277
Energy: 1.6211347676296015
Energy: 1.7904523910003165
Energy: 1.8305640496336653
Energy: 1.780594821921132
Energy: 1.7865391949005123
Energy: 1.7805948219229089
Energy: 1.596777314110615
Energy: 1.8195584180347601
Energy: 1.8303322617912108
Energy: 1.8195584180347601
Energy: 1.7400844335210517
Energy: 1.7952741978928726
Energy: 1.6226444524157995
Energy: 1.795274197893761
Energy: 1.7904695241668844
Energy: 1.7928663175512647
Energy: 1.7855512698644602
Energy: 1.7928663175512647
Energy: 1.5980093610704922
Energy: 1.8624013573467355
Energy: 1.9674687162412574
Energy: 1.8624013573476241
Energy: 1.8726279171433573
Energy: 1.7636910042494667
Energy: 1.6219358948280074
Energy: 1.763691004250355
Energy: 1.5973689003891085
Energy: 1.8640744608453514
Energy: 1.7065333579839197
Energy: 1.8640744608453514
Energy: 1.5976263797465604
Energy: 1.9061458065573584
Energy: 1.599844086749464
Energy: 1.906145806554693
Energy: 1.6904812319406246
Energy: 1.8040240550606743
Energy: 1.7898867199066542
Energy: 1.804024055059786
Energy: 1.5979591324342177
Energy: 1.87528833374224
Energy: 1.939511286933332
Energy: 1.8752883337440167
Energy: 1.6926903645517017
Energy: 1.8226933839968098
Energy: 1.596217255588135
Energy: 1.8226933839976982
Energy: 1.6200464714696787
Energy: 1.795157788008632
Energy: 1.8169506526080477
Energy: 1.795157788008632
Energy: 1.6198108338152064
Energy: 1.8054124104917466
Energy: 1.816684211319155
Energy: 1.805412410492635
Energy: 1.8109981585693475
Energy: 1.8256251291191694
Energy: 1.5981415833234724
Energy: 1.825625129120058
Energy: 1.5980432358417964
Energy: 1.9982952013631416
Energy: 1.984528559998468
Energy: 1.9982952013640303
Energy: 1.783697955007699
Energy: 1.668330819471279
Energy: 1.7923112107360113
Energy: 1.668330819471279
Energy: 1.943592189676528
Energy: 1.9085971397472241
Energy: 1.6030413811284663
Energy: 1.9085971397463357
Energy: 1.619320392835212
Energy: 1.8639965692997633
Energy: 1.8707120250429674
Energy: 1.863996569298875

minimum gb energy = 1.596217255588135 eV
minimum distance =  2.23568020151925 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.5306139219937642
Energy: 1.5301667654690823
Energy: 2.156686635360392
Energy: 1.5301667654731732
Energy: 1.8230553903941737
Energy: 1.6678770500489062
Energy: 1.6065857147242013
Energy: 1.6678770500489062
Energy: 1.5319172365100624
Energy: 1.5301043039691167
Energy: 1.6689729738386765
Energy: 1.5301043039691167
Energy: 1.532112038822874
Energy: 1.5302565279642848
Energy: 1.6681219042778994
Energy: 1.5302565279642848
Energy: 1.822904017112021
Energy: 1.6677618917863404
Energy: 1.6065386185130817
Energy: 1.6677618917842947
Energy: 1.5306139219937642
Energy: 1.5301667654690823
Energy: 1.972872638611314
Energy: 1.5301667654731732
Energy: 1.823055390396219
Energy: 1.6678770500489062
Energy: 1.6679874530858525
Energy: 1.667877050046861
Energy: 1.5319172365121076
Energy: 1.5301043039670714
Energy: 1.773856812784464
Energy: 1.5301043039691167
Energy: 1.532112038822874
Energy: 1.5302565279663303
Energy: 1.7693910125272783
Energy: 1.5302565279683757
Energy: 1.8229040171140665
Energy: 1.6677618917863404
Energy: 1.7061104777021505
Energy: 1.6677618917842947
Energy: 1.5306139219937642
Energy: 1.5301667654690823
Energy: 2.0342618933479724
Energy: 1.5301667654731732
Energy: 1.8230553903941737
Energy: 1.6678770500489062
Energy: 1.7688410103984948
Energy: 1.6678770500489062
Energy: 1.5319172365100624
Energy: 1.5301043039691167
Energy: 1.7738568127865095
Energy: 1.5301043039691167

minimum gb energy = 1.5301043039670714 eV
minimum distance =  2.3007520641262 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.6842920165839204
Energy: 2.123237168271862
Energy: 2.12270804689564
Energy: 2.1232371682703475
Energy: 1.8964932659643077
Energy: 1.7626262330362725
Energy: 1.6914642731937086
Energy: 1.7626262330340012
Energy: 1.6638961577547693
Energy: 1.6638412333013508
Energy: 1.6900741661686793
Energy: 1.6638412332975656
Energy: 1.845544765032923
Energy: 1.9789013144734295
Energy: 1.7024763607163858
Energy: 1.9789013144726726
Energy: 1.872159022615211
Energy: 1.7588862084729258
Energy: 1.6943276469766744
Energy: 1.7588862084721686
Energy: 1.6640452919189035
Energy: 1.6639722867422977
Energy: 1.8635575127795787
Energy: 1.6639722867422977
Energy: 2.1220418664874043
Energy: 1.7511179431880632
Energy: 1.6939959808393261
Energy: 1.751117943185035
Energy: 1.6792571886362326
Energy: 1.9673756072653734
Energy: 1.8692875763341317
Energy: 1.9673756072646165
Energy: 1.6675475847246208
Energy: 1.9904536743130765
Energy: 1.6831452965020284
Energy: 1.9904536743085344
Energy: 1.6666815388623626
Energy: 1.755246382674604
Energy: 1.6973604589443585
Energy: 1.7552463826761184
Energy: 1.6802751788710995
Energy: 1.7996679985321282
Energy: 2.100834086029178
Energy: 1.79966799885601
Energy: 1.8912410171443401
Energy: 1.9105871643538688
Energy: 1.6775054135630598
Energy: 1.9105871643538688
Energy: 1.6675921156654958
Energy: 1.7966204388896916
Energy: 1.9899667063579114
Energy: 1.7966204387844609
Energy: 1.8494813579079268
Energy: 2.0349327241757473
Energy: 1.6959405196827844
Energy: 2.03493272418029
Energy: 1.6865905330595086
Energy: 1.8826285065876955
Energy: 1.8611253459886417
Energy: 1.8826285065861814
Energy: 1.6755442117600847
Energy: 2.004516622367495
Energy: 1.85376675833674
Energy: 2.0045166223659807
Energy: 1.7842970742442816
Energy: 1.8846112569001925
Energy: 1.6866413718122013
Energy: 1.8846112568964069
Energy: 1.68802726536516
Energy: 1.7514706586152835
Energy: 1.9308484577021792
Energy: 1.7514706586167976
Energy: 1.9437445099055075
Energy: 1.915963092840862
Energy: 1.6683787982951286
Energy: 1.915963092840862
Energy: 1.6782357560157288
Energy: 1.776311174189956
Energy: 1.7897427315288392
Energy: 1.7763111741884419
Energy: 1.859963540145714
Energy: 1.988018786257399
Energy: 1.851073396222656
Energy: 1.988018786260427
Energy: 1.8057962086625206
Energy: 1.855644559729299
Energy: 1.6663608039389832
Energy: 1.8556445597300562
Energy: 1.6832046889170755
Energy: 1.7977901269355536
Energy: 1.6677142731015058
Energy: 1.7977901269378245
Energy: 2.128807773228563
Energy: 1.7950895105360958
Energy: 1.675672768043182
Energy: 1.7950895105353386
Energy: 1.6937478925986913
Energy: 1.904148859486711
Energy: 2.03444065654325
Energy: 1.904148859485954
Energy: 1.7729337888840357
Energy: 1.6640930494295114
Energy: 1.664965883844979
Energy: 1.6640930494302686
Energy: 1.8667696039232744
Energy: 1.8878487297495743
Energy: 1.8461392926272366
Energy: 1.8878487297041509
Energy: 1.7135395670537243
Energy: 2.0188621046858244
Energy: 1.8440946582957334
Energy: 2.0188621046835533
Energy: 1.7766312134391788
Energy: 1.663687408168491
Energy: 1.6637452267561523
Energy: 1.6636874081722761
Energy: 1.688564212467559
Energy: 2.0596440723905802
Energy: 2.026125448699467
Energy: 2.0596440723920946
Energy: 2.0103744529518095
Energy: 1.7945367697919614
Energy: 1.6745683081930514
Energy: 1.7945367697912047
Energy: 1.6930479981700484
Energy: 1.7557321967675668
Energy: 1.6647243248547798
Energy: 1.7557321967660529
Energy: 1.6946786747647007
Energy: 1.8573674257157298
Energy: 1.6646334054599308
Energy: 1.857367425713459
Energy: 1.8481028128931616
Energy: 1.9730663360742429
Energy: 1.846429208325911
Energy: 1.9730663360742429
Energy: 1.6868112269783444
Energy: 1.9278565312820914
Energy: 2.122354099014587
Energy: 1.9278565312858766

minimum gb energy = 1.663687408168491 eV
minimum distance =  2.25732213173222 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.7924251391711163
Energy: 1.7912661146754174
Energy: 2.128993170844418
Energy: 1.7912661146754174
Energy: 1.8074558617597989
Energy: 1.8322953349696622
Energy: 1.694688336277442
Energy: 1.8322953349720645
Energy: 1.7032197074273985
Energy: 1.7777205079076777
Energy: 1.6943972213866016
Energy: 1.7777205079052754
Energy: 1.6753854374811377
Energy: 1.9279531046558807
Energy: 1.7134657890963905
Energy: 1.9279531046570821
Energy: 1.76601444625223
Energy: 1.8311107015210697
Energy: 1.7663458111569736
Energy: 1.8311107015222707
Energy: 1.7142400300017577
Energy: 1.70257867683695
Energy: 1.9695314854367607
Energy: 1.702578676838151
Energy: 2.109110424701161
Energy: 1.9099846860642322
Energy: 1.7065090656786566
Energy: 1.9099846860630312
Energy: 1.6784842135049611
Energy: 1.6731457236746519
Energy: 1.9946661074327896
Energy: 1.6731457236746519
Energy: 2.043324750844707
Energy: 1.675183524458299
Energy: 1.6829812402039683
Energy: 1.6751835244570978
Energy: 1.7024660562297138
Energy: 1.8207379035187827
Energy: 1.7005853629598007
Energy: 1.8207379035187827
Energy: 1.6820567018175163
Energy: 1.7767662424969042
Energy: 1.96395181804435
Energy: 1.7767662424993065
Energy: 1.8757450368585284
Energy: 1.925866236546534
Energy: 1.6786665344511933
Energy: 1.925866236546534
Energy: 1.7154247892500774
Energy: 1.7985893084799056
Energy: 1.9987098952435152
Energy: 1.7985893084799056
Energy: 2.0233025356263408
Energy: 1.9098579294688203
Energy: 1.7178774447123801
Energy: 1.9098579294688203
Energy: 1.6829950990555411
Energy: 1.9640562921021436
Energy: 1.9587949718295992
Energy: 1.9640562921021436
Energy: 1.9644513843407236
Energy: 1.6736408472565958
Energy: 1.6787883044777532
Energy: 1.6736408472565958
Energy: 1.7975776497305769
Energy: 1.7941303019419463
Energy: 1.7033184729114204
Energy: 1.7941303019443486
Energy: 1.7938792274359776
Energy: 1.7919209473924025
Energy: 1.7012305106559422
Energy: 1.7919209473948046
Energy: 1.692201373861404
Energy: 1.6728463322429477
Energy: 1.6759888602999449
Energy: 1.6728463322393443
Energy: 1.7094578056965044
Energy: 1.8436392402892938
Energy: 2.059487127344825
Energy: 1.843639240288093
Energy: 2.031990935282332
Energy: 1.7759236125301465
Energy: 1.7143838805902805
Energy: 1.7759236125301465
Energy: 1.7263564061285743
Energy: 1.8300823665706876
Energy: 1.8862099954791884
Energy: 1.8300823665730899

minimum gb energy = 1.6728463322393443 eV
minimum distance =  2.26807569729886 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.7125672791042508
Energy: 1.7124890731750682
Energy: 2.0913353720407213
Energy: 1.7124890731784652
Energy: 2.0716045608193054
Energy: 1.7468363583889024
Energy: 1.7040629148287194
Energy: 1.7468363583889024
Energy: 1.6824831255763122
Energy: 1.7127843378078478
Energy: 1.6992978610136051
Energy: 1.7127843378078478
Energy: 1.740180338994341
Energy: 1.8227009857550325
Energy: 1.7042223734501838
Energy: 1.8227009857516352
Energy: 1.6821310359139523
Energy: 1.791796925489407
Energy: 1.7203684570775604
Energy: 1.791796925489407
Energy: 1.6832185331083462
Energy: 1.713476906340492
Energy: 2.004869726178165
Energy: 1.713476906345588
Energy: 1.8808797152481997
Energy: 1.9344128627589936
Energy: 1.7324924036575167
Energy: 1.9344128627572947
Energy: 1.6828958490982426
Energy: 1.714507193949935
Energy: 2.0617201479107474
Energy: 1.714507193952483
Energy: 1.8965741329795855
Energy: 1.8016067840315018
Energy: 1.6984802271694996
Energy: 1.8016067840399566
Energy: 1.6837244168903007
Energy: 1.8360385565703399
Energy: 1.859038297294175
Energy: 1.836038556572888
Energy: 1.7303532676412798
Energy: 1.9562046181286419
Energy: 1.735181845597458
Energy: 1.956204618126094
Energy: 1.7396711373018536
Energy: 1.7927858513647836
Energy: 1.7330961931397209
Energy: 1.7927858513647836
Energy: 1.727526467482102
Energy: 1.7175831507365733
Energy: 1.7426304516139377
Energy: 1.7175831507340256
Energy: 1.7198885736446479
Energy: 1.7008740820036186
Energy: 1.7350993189378388
Energy: 1.700874082007016
Energy: 1.6780381011034688
Energy: 1.9670327960325398
Energy: 1.8820402025193512
Energy: 1.9670327960333893
Energy: 2.1527052452798503
Energy: 1.7008013704111242
Energy: 1.6992959038519624
Energy: 1.7008013704085763
Energy: 1.6872197951259678
Energy: 1.794333509975156
Energy: 1.7755230670838844
Energy: 1.7943335099666629
Energy: 1.7053621637719392
Energy: 1.950753331851401
Energy: 1.7337850561034085
Energy: 1.950753331851401
Energy: 1.6877062390257338
Energy: 1.8531166659690377
Energy: 1.732677460614824
Energy: 1.8531166659707363
Energy: 1.6793725837846813
Energy: 1.7959343295461347
Energy: 1.732674406195124
Energy: 1.795934329546984
Energy: 1.7349443190998852
Energy: 1.9597173655825266
Energy: 1.6986269667421694
Energy: 1.959717365585924
Energy: 1.6834670745674163
Energy: 1.9581652934490568
Energy: 1.858079208334169
Energy: 1.9581652934516047
Energy: 2.039258743732755
Energy: 1.8028437818977363
Energy: 1.7342303746548449
Energy: 1.802843781899435
Energy: 1.7171966586213654
Energy: 1.713948651426271
Energy: 2.003274056558248
Energy: 1.7139486514220241
Energy: 1.744019583393848
Energy: 1.7972550604630524
Energy: 1.7210099153622735
Energy: 1.797255060464751
Energy: 1.7307160127584882
Energy: 1.9547255965230497
Energy: 1.7306453514667066
Energy: 1.9547255965205017
Energy: 1.682270015517978
Energy: 1.8291670369394848
Energy: 1.714624464391303
Energy: 1.8291670369360873
Energy: 1.7402654081105184
Energy: 1.7936568552218997
Energy: 1.704076555532577
Energy: 1.793656855226146
Energy: 1.6814064913887588
Energy: 1.712992059351015
Energy: 1.8312966957047219
Energy: 1.712992059351015
Energy: 1.71570324578463
Energy: 1.7396359623089925
Energy: 1.7149214301570748
Energy: 1.7396359623089925
Energy: 1.6814058208384535
Energy: 1.7130409519809213
Energy: 1.9680118857112863
Energy: 1.7130409519775238

minimum gb energy = 1.6780381011034688 eV
minimum distance =  2.25194558243639 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.6467519769656376
Energy: 1.6312903861790535
Energy: 2.05223718077553
Energy: 1.6312903861805002
Energy: 1.5915286327135136
Energy: 1.6510949878248131
Energy: 1.6515915115164586
Energy: 1.651094987825109
Energy: 1.6442990983049957
Energy: 1.7336294230129157
Energy: 1.7708564762426446
Energy: 1.73362942301262
Energy: 1.6502745861375472
Energy: 1.5901937738363139
Energy: 1.652722935818786
Energy: 1.5901937738288192
Energy: 1.6470021283752854
Energy: 1.7013361316763236
Energy: 1.6282184020945996
Energy: 1.7013361316757318
Energy: 1.6454162548625024
Energy: 1.7320588144071851
Energy: 1.6457275639820466
Energy: 1.7320588144086313
Energy: 1.6283283829024808
Energy: 1.7011771274982337
Energy: 1.646929337615618
Energy: 1.7011771274979708
Energy: 1.6523735900379766
Energy: 1.5902535664190443
Energy: 1.6503435200355696
Energy: 1.5902535664201947
Energy: 1.7707048267959062
Energy: 1.733651007205562
Energy: 1.644279083622006
Energy: 1.733651007205562

minimum gb energy = 1.5901937738288192 eV
minimum distance =  2.3082072539023 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.6121140898001622
Energy: 1.603119703013609
Energy: 2.107790289095713
Energy: 1.6031197030120046
Energy: 1.5886260243586026
Energy: 1.684035544634443
Energy: 1.5558638703992849
Energy: 1.6840355446272222
Energy: 1.5403160112116465
Energy: 1.5966111402828616
Energy: 1.8487174128140609
Energy: 1.5966111402836638
Energy: 1.5933326275711486
Energy: 1.6704807868722555
Energy: 1.5792114941734028
Energy: 1.6704807868778715
Energy: 1.5631995580195759
Energy: 1.6834838916976644
Energy: 1.965483890363749
Energy: 1.683483891701676
Energy: 1.616973055570261
Energy: 1.612832530707954
Energy: 1.5605130618486642
Energy: 1.6128325307039426
Energy: 1.5517245744753938
Energy: 1.6929868827071606
Energy: 1.5495640751390927
Energy: 1.6929868827071606
Energy: 1.5597875747755516
Energy: 1.6164097767051833
Energy: 1.5518107729061896
Energy: 1.6164097767083925
Energy: 1.5827556731893415
Energy: 1.8371549197489756
Energy: 1.5584315523401475
Energy: 1.8371549197537895
Energy: 1.5712382674901106
Energy: 1.6806046838088242
Energy: 1.5476704369597314
Energy: 1.6806046838040103
Energy: 1.5618794551835182
Energy: 1.6150633845412774
Energy: 1.542406357552315
Energy: 1.6150633845388704
Energy: 1.5680806368792506
Energy: 1.619316280964731
Energy: 1.7455896246387084
Energy: 1.619316280961522
Energy: 1.676042073775784
Energy: 1.6105257146898833
Energy: 1.6133848427309532
Energy: 1.6105257146922902
Energy: 1.5643554901715886
Energy: 1.6944677408518913
Energy: 1.6349523057277078
Energy: 1.6944677408559028
Energy: 1.7298795563844382
Energy: 1.6755096232008726
Energy: 1.5419023027999537
Energy: 1.6755096232032796
Energy: 1.576452455777189
Energy: 1.5853967391576902
Energy: 1.7194348571497027
Energy: 1.585396739160097
Energy: 1.860891101981212
Energy: 1.68492148671269
Energy: 1.5713966979016272
Energy: 1.6849214867223175
Energy: 1.5628134123360375
Energy: 1.6104100713813398
Energy: 1.7383562939667956
Energy: 1.610410071378933
Energy: 1.55238346379654
Energy: 1.6944747850942663
Energy: 1.5632899231116955
Energy: 1.6944747851014872
Energy: 1.5500843583338113
Energy: 1.7598202375844993
Energy: 1.5906951759737888
Energy: 1.759820237578081
Energy: 1.558462609669398
Energy: 1.6130421989396062
Energy: 1.5718835127943158
Energy: 1.6130421989315835
Energy: 1.5745303729682634
Energy: 1.6792765243245071
Energy: 1.5687019258437964
Energy: 1.6792765243253096
Energy: 1.5469346088129972
Energy: 1.6133105577794327
Energy: 1.5606489299629336
Energy: 1.6133105577850486
Energy: 1.7498835285662748
Energy: 1.6143333698428026
Energy: 1.557953081912325
Energy: 1.6143333698403957
Energy: 1.7522028685404096
Energy: 1.587516125047412
Energy: 1.5479766753024777
Energy: 1.5875161250482142
Energy: 1.5870034053647069
Energy: 1.6109871845699433
Energy: 1.556357993713636
Energy: 1.6109871845651298
Energy: 1.5472109433356152
Energy: 1.660310040779136
Energy: 1.7137721774336903
Energy: 1.6603100407775313
Energy: 1.6537389467666852
Energy: 1.6533074461400101
Energy: 1.573490697488518
Energy: 1.653307446148033
Energy: 1.548765114510685
Energy: 1.6228970392314144
Energy: 1.6183300774189555
Energy: 1.6228970392257982
Energy: 1.7416989756890624
Energy: 1.7692134971562308
Energy: 1.561189822355265
Energy: 1.7692134971554285
Energy: 1.5608428025507137
Energy: 1.5925900247985265
Energy: 1.760938908176137
Energy: 1.592590024793713
Energy: 1.8462451672040907
Energy: 1.649141774609668
Energy: 1.5599341663919775
Energy: 1.649141774601645
Energy: 1.581326328887383
Energy: 1.7476685295281418
Energy: 1.55658631772483
Energy: 1.7476685295305487

minimum gb energy = 1.5403160112116465 eV
minimum distance =  2.24551698442072 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.5365707565753657
Energy: 1.5368822843340708
Energy: 1.642851404750411
Energy: 1.5368822843340708
Energy: 1.5299559114071213
Energy: 1.7653517702843324
Energy: 1.4961725064243065
Energy: 1.7653517702887696
Energy: 1.4543181346199587
Energy: 1.5365962614092732
Energy: 1.7329295358263095
Energy: 1.536596261412601
Energy: 1.5537152570837538
Energy: 1.634289439447401
Energy: 1.4769739089475336
Energy: 1.6342894394485104
Energy: 1.454397722396954
Energy: 1.6843391706381095
Energy: 1.8534723068382604
Energy: 1.6843391706381095
Energy: 1.4560221693039082
Energy: 1.7628612935137111
Energy: 1.4763910637064233
Energy: 1.76286129351593
Energy: 1.454186591474018
Energy: 1.6841324088642498
Energy: 1.5119978285526223
Energy: 1.6841324088675775
Energy: 1.4546694727468534
Energy: 1.5414460933867016
Energy: 1.5470800542872634
Energy: 1.5414460933855925
Energy: 1.535681432694445
Energy: 1.533282772608204
Energy: 1.5722522257710843
Energy: 1.5332827726059854
Energy: 1.5356744668490703
Energy: 1.5333170393634232
Energy: 1.5329673604219143
Energy: 1.5333170393634232
Energy: 1.4549298790444596
Energy: 1.5414899336164558
Energy: 1.5470337463255581
Energy: 1.5414899336164558
Energy: 1.4546450443492691
Energy: 1.6847381224867002
Energy: 1.4889668810962933
Energy: 1.6847381224867002
Energy: 1.4557176608716675
Energy: 1.7625277808307878
Energy: 1.4768486025690737
Energy: 1.7625277808307878
Energy: 1.4542614157764826
Energy: 1.6841906265444364
Energy: 1.725704592709997
Energy: 1.684190626539999
Energy: 1.5537816273099025
Energy: 1.6352380586279007
Energy: 1.477329150741468
Energy: 1.635238058621245
Energy: 1.454268461390645
Energy: 1.5363183403157423
Energy: 1.6133354697082358
Energy: 1.5363183403135239
Energy: 1.5301758322953414
Energy: 1.544247315678691
Energy: 1.4961957122214158
Energy: 1.544247315683128
Energy: 1.5365707565753657
Energy: 1.5368822843373986
Energy: 1.8135891226365
Energy: 1.5368822843329613
Energy: 1.5299559114071213
Energy: 1.7653517702854418
Energy: 1.4961725064243065
Energy: 1.765351770289879
Energy: 1.4543181346199587
Energy: 1.5365962614103823
Energy: 2.0218319539797065
Energy: 1.536596261412601
Energy: 1.5537152570837538
Energy: 1.6342894394485104
Energy: 1.4769739089475336
Energy: 1.6342894394462915
Energy: 1.454397722396954
Energy: 1.6843391706381095
Energy: 1.8336733059732426
Energy: 1.6843391706381095
Energy: 1.4560221693039082
Energy: 1.7628612935137111
Energy: 1.4763910637064233
Energy: 1.76286129351593
Energy: 1.454186591474018
Energy: 1.6841324088642498
Energy: 1.489324282317076
Energy: 1.6841324088675775

minimum gb energy = 1.454186591474018 eV
minimum distance =  2.26381824569367 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.5168718102653502
Energy: 1.519633632184525
Energy: 2.0976112156216127
Energy: 1.5196336321838395
Energy: 1.7251491047086907
Energy: 1.4974668877280715
Energy: 1.4683492424410338
Energy: 1.4974668877308137
Energy: 1.4627110189264718
Energy: 1.4966040633233098
Energy: 1.8176899834944633
Energy: 1.4966040633205675
Energy: 1.5707217460459577
Energy: 1.7765456737402487
Energy: 1.462728143729941
Energy: 1.7765456737375063
Energy: 1.4600921965375562
Energy: 1.6104137544338764
Energy: 1.5350983920461287
Energy: 1.610413754436619
Energy: 1.4655325121316698
Energy: 2.0235375884240305
Energy: 1.4846246143206439
Energy: 2.0235375884254014
Energy: 1.4846239541449975
Energy: 1.5839035527581065
Energy: 1.4963781614597618
Energy: 1.5839035527587924
Energy: 1.4729099086208455
Energy: 1.8042106860460065
Energy: 1.4546706719261748
Energy: 1.804210686046692
Energy: 1.5140645466541784
Energy: 1.8060233772792875
Energy: 1.547456841956196
Energy: 1.8060233772792875
Energy: 1.5156760899511954
Energy: 1.8020516206580302
Energy: 1.4645225476401345
Energy: 1.8020516206552877
Energy: 1.4690190650521733
Energy: 1.7738505191152016
Energy: 1.456068166298131
Energy: 1.7738505191152016
Energy: 1.4725671096942328
Energy: 1.5755687402555896
Energy: 1.4599048408491464
Energy: 1.5755687402583323
Energy: 1.4704409166104784
Energy: 2.0695500828284716
Energy: 1.4684687612674838
Energy: 2.069550082830528
Energy: 1.4652732559775845
Energy: 1.608647994848866
Energy: 1.516979741869572
Energy: 1.6086479948481807
Energy: 1.4628672264321534
Energy: 1.781867507428604
Energy: 1.5290187047106052
Energy: 1.7818675074292893
Energy: 1.4710906662997296
Energy: 1.4977137828093765
Energy: 1.5192298172315246
Energy: 1.4977137828107476
Energy: 1.5036468900152855
Energy: 1.7839894728582486
Energy: 1.4656374610595453
Energy: 1.7839894728596202
Energy: 1.456446521212268
Energy: 1.6643138613182806
Energy: 1.50523435145751
Energy: 1.6643138613162236
Energy: 1.7053931953129509
Energy: 1.8078694592546967
Energy: 1.467829041363201
Energy: 1.807869459259496
Energy: 1.4778945162575678
Energy: 1.49804783222645
Energy: 1.5868136025888606
Energy: 1.49804783222645
Energy: 1.4961839199296907
Energy: 1.4845552029901623
Energy: 1.4820101448876348
Energy: 1.4845552029922193
Energy: 1.4822102014971754
Energy: 1.5168828896643773
Energy: 1.5239103412931683
Energy: 1.5168828896623205
Energy: 1.7051326980639843
Energy: 1.7921451444301508
Energy: 1.480328564310756
Energy: 1.7921451444294654
Energy: 1.4686847764489048
Energy: 1.586214447365408
Energy: 1.719635964651783
Energy: 1.586214447363351
Energy: 1.53760643809267
Energy: 1.6638336095478343
Energy: 1.458837532884409
Energy: 1.6638336095471487
Energy: 1.4687879270574982
Energy: 1.6130998943763364
Energy: 1.470455584206893
Energy: 1.613099894374965
Energy: 1.6988037302606642
Energy: 1.556441208228708
Energy: 1.4736003161773434
Energy: 1.556441208226651
Energy: 1.535560345894427
Energy: 1.783601720837979
Energy: 1.458133487159557
Energy: 1.7836017208386648
Energy: 1.515987694216435
Energy: 1.6079938371353533
Energy: 1.4720400796610276
Energy: 1.6079938371367244
Energy: 1.4686722881703789
Energy: 2.0691113802213525
Energy: 1.5094309593732274
Energy: 2.0691113802240957
Energy: 1.457428840271069
Energy: 1.6084451150169308
Energy: 1.4685512513918881
Energy: 1.6084451150183021
Energy: 1.4587032256949808
Energy: 1.7737116679306564
Energy: 1.4741979136260164
Energy: 1.7737116679265428
Energy: 1.474020528915508
Energy: 1.4910181624489591
Energy: 1.7330968619359808
Energy: 1.491018162483241
Energy: 1.5296732783566298
Energy: 1.807785963972065
Energy: 1.4968666980810137
Energy: 1.807785963972065
Energy: 1.4546315382670234
Energy: 1.518676176256507
Energy: 1.530040094887392
Energy: 1.5186761762578784
Energy: 1.4983551547632097
Energy: 1.5866889498133079
Energy: 1.4899398821785548
Energy: 1.5866889498091943
Energy: 1.4807305322860675
Energy: 1.7975769560724737
Energy: 1.4769107481360095
Energy: 1.7975769560738448
Energy: 1.5125780487554077
Energy: 1.6128079350603928
Energy: 1.4708525852450696
Energy: 1.6128079350610787

minimum gb energy = 1.4546315382670234 eV
minimum distance =  2.253427108383 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.3371382352089496
Energy: 1.3373726616296178
Energy: 1.5050226299255158
Energy: 1.3373726616296178
Energy: 1.3379707370650569
Energy: 1.3879691086759856
Energy: 1.3575660590070453
Energy: 1.3879691086759856
Energy: 1.3546653392795862
Energy: 1.5978763100672233
Energy: 2.21981750225415
Energy: 1.5978763100654292
Energy: 1.3600262734144104
Energy: 1.3879387393275417
Energy: 1.3577511956801633
Energy: 1.3879387393275417
Energy: 1.354482150009945
Energy: 1.4766838815968852
Energy: 1.4834463927916217
Energy: 1.4766838815986791
Energy: 1.3542395016394473
Energy: 1.3390849736925612
Energy: 1.3413211454553526
Energy: 1.3390849736925612
Energy: 1.3548558729987668
Energy: 1.6031189754201232
Energy: 1.3370342055017164
Energy: 1.6031189754201232
Energy: 1.3496593941421458
Energy: 1.5972466833439793
Energy: 1.357790095513158
Energy: 1.5972466833439793
Energy: 1.353876931145886
Energy: 1.4768156170131368
Energy: 1.3297526696171484
Energy: 1.4768156170131368
Energy: 1.3879879326737166
Energy: 1.471917753079053
Energy: 1.3540912893415467
Energy: 1.4719177531131387
Energy: 1.3366798222850493
Energy: 1.3892543612109765
Energy: 1.3541393753231465
Energy: 1.3892543612109765
Energy: 1.337326697567459
Energy: 1.5980412655861669
Energy: 1.3582912388255022
Energy: 1.5980412655861669
Energy: 1.3539264362186354
Energy: 1.34168332718373
Energy: 1.3625237824797651
Energy: 1.34168332718373
Energy: 1.3541079017087747
Energy: 1.472580413564798
Energy: 1.3540099798932619
Energy: 1.472580413564798
Energy: 1.3303192723599124
Energy: 1.341598239458334
Energy: 1.3537529449951966
Energy: 1.341598239458334

minimum gb energy = 1.3297526696171484 eV
minimum distance =  2.2832817874886 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.3335920337452891
Energy: 1.7571448670914473
Energy: 1.6724890701028954
Energy: 1.7571448670794168
Energy: 1.3722223693200868
Energy: 1.5429168522633154
Energy: 1.2673417244086045
Energy: 1.54291685227685
Energy: 1.2817796559245327
Energy: 1.7645995525524123
Energy: 1.5160786926724197
Energy: 1.7645995525621871
Energy: 1.27582964266069
Energy: 1.545432186786758
Energy: 1.2632394203482131
Energy: 1.5454321867634484
Energy: 1.296948072833339
Energy: 1.6117731851468338
Energy: 1.3446384476344617
Energy: 1.6117731851348032
Energy: 1.2625845536442606
Energy: 1.3158695154932174
Energy: 1.2991665591279273
Energy: 1.31586951550518
Energy: 1.2890925632928298
Energy: 1.6111279653374557
Energy: 1.5793265600430113
Energy: 1.6111279653509905
Energy: 1.2528825621024204
Energy: 1.788925192452106
Energy: 1.2995078159025288
Energy: 1.7889251924588732
Energy: 1.2898031988187966
Energy: 1.6106905052461342
Energy: 1.6490072657662014
Energy: 1.6106905052356075
Energy: 1.5299145040791116
Energy: 1.6376216676547695
Energy: 1.2634740722025564
Energy: 1.6376216676600328
Energy: 1.2892877052148004
Energy: 1.412797302743014
Energy: 1.266563866394757
Energy: 1.4127973027437661
Energy: 1.7286601206047851
Energy: 1.6382325749118547
Energy: 1.271628879022816
Energy: 1.6382325749111029
Energy: 1.3463391354899255
Energy: 1.3053406229018785
Energy: 1.2823908119173473
Energy: 1.3053406229033822
Energy: 1.772146485827536
Energy: 1.4123980531737823
Energy: 1.2715455860239022
Energy: 1.4123980531737823
Energy: 1.2895878335593491
Energy: 1.2800160831701104
Energy: 1.2800164526183717
Energy: 1.2800160831791334
Energy: 1.2739193143953813
Energy: 1.412035328903606
Energy: 1.2751908237995093
Energy: 1.412035328902854
Energy: 1.2898028822569005
Energy: 1.3717317102831061
Energy: 1.2602399789243293
Energy: 1.3717317102876176
Energy: 1.3181095180551607
Energy: 1.3780904852648976
Energy: 1.295625757034278
Energy: 1.3780904852633935
Energy: 1.289941451391397
Energy: 1.3072446169738725
Energy: 1.2948935072742014
Energy: 1.3072446169723686
Energy: 1.2898941921791993
Energy: 1.3065817271254743
Energy: 1.294727388120886
Energy: 1.3065817271156992
Energy: 1.318368510740815
Energy: 1.3780450400626092
Energy: 1.295247377118786
Energy: 1.3780450400596012
Energy: 1.2893569086024992
Energy: 1.3720789104636244
Energy: 1.2758673067196382
Energy: 1.3720789104613687
Energy: 1.274530447198853
Energy: 1.4122417892450796
Energy: 1.2603884051623546
Energy: 1.4122417892465835
Energy: 1.289859586501394
Energy: 1.2801298910220285
Energy: 1.2766923147938836
Energy: 1.2801298910287957
Energy: 1.768044600186787
Energy: 1.4121716607855863
Energy: 1.2723454910012613
Energy: 1.4121716607848345
Energy: 1.3487526505270488
Energy: 1.3058930144033345
Energy: 1.268712344595817
Energy: 1.3058930144055902
Energy: 1.7285047881440676
Energy: 1.6368207856375516
Energy: 1.271682347350547
Energy: 1.6368207856398076
Energy: 1.2890564385668897
Energy: 1.4128945248471902
Energy: 1.2626587922364767
Energy: 1.4128945248464384
Energy: 1.529772596287008
Energy: 1.6379935915241584
Energy: 1.263491252268626
Energy: 1.6379935915226547
Energy: 1.2888885464914857
Energy: 1.6110511571133963
Energy: 1.5188963010805223
Energy: 1.6110511571164037
Energy: 1.252858414510415
Energy: 1.7889792452704756
Energy: 1.2993079723840082
Energy: 1.7889792452667161
Energy: 1.2900005923351017
Energy: 1.610916571463828
Energy: 1.7570810659047151
Energy: 1.610916571463828
Energy: 1.2626246677136954
Energy: 1.3158123917682565
Energy: 1.2992081817565269
Energy: 1.3158123917802873
Energy: 1.2898026663682005
Energy: 1.6115819322923133
Energy: 1.729417055566605
Energy: 1.6115819322795306
Energy: 1.2758917129879186
Energy: 1.5440184918133137
Energy: 1.2634340160016537
Energy: 1.5440184918178255

minimum gb energy = 1.252858414510415 eV
minimum distance =  2.25089294762895 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.4363037257936255
Energy: 1.4363994952955208
Energy: 1.1547549961876111
Energy: 1.4363994952942272
Energy: 1.5047984278446407
Energy: 1.228145176268559
Energy: 1.1739083693707757
Energy: 1.2281451762672653
Energy: 1.3568282583071538
Energy: 1.3995823151475688
Energy: 1.5842288852882358
Energy: 1.3995823151475688
Energy: 1.3571426509953755
Energy: 1.4124094501538549
Energy: 1.1842022689193168
Energy: 1.4124094501564421
Energy: 1.1826586681972264
Energy: 1.2280784693530546
Energy: 1.423161003835825
Energy: 1.2280784693504672
Energy: 1.1985474839157741
Energy: 1.410964887421343
Energy: 1.3609104310742517
Energy: 1.410964887421343
Energy: 1.1607567179071003
Energy: 1.64330683911225
Energy: 1.766924273370959
Energy: 1.643306839113544
Energy: 1.1600402442830344
Energy: 1.2294497916085054
Energy: 1.2323032806823095
Energy: 1.2294497916097988
Energy: 1.1749437151438649
Energy: 1.2281670919177405
Energy: 1.7634977062155697
Energy: 1.2281670919177405
Energy: 1.584187757693281
Energy: 1.735775837623821
Energy: 1.360759185408197
Energy: 1.7357758376225274
Energy: 1.1820516259444476
Energy: 1.5337103684107618
Energy: 1.357374801949557
Energy: 1.533710368434018
Energy: 1.622513528531119
Energy: 1.2284954104113348
Energy: 1.1836840647335063
Energy: 1.2284954104113348
Energy: 1.3662734242222425
Energy: 1.229503363675706
Energy: 1.346094042927002
Energy: 1.2295033636769996
Energy: 1.7669222606823507
Energy: 1.2982285027116138
Energy: 1.159929046186569
Energy: 1.2982285027129077
Energy: 1.4356912168798441
Energy: 1.474334151825828
Energy: 1.1598962269252393
Energy: 1.4743341518245343
Energy: 1.4359025745896297
Energy: 1.227833648274912
Energy: 1.1740413929085005
Energy: 1.2278336482723249
Energy: 1.3568287886074828
Energy: 1.376603939775503
Energy: 1.1584783751652883
Energy: 1.3766039397780903
Energy: 1.3582817309004114
Energy: 1.7821258117011776
Energy: 1.1816035612719065
Energy: 1.7821258116972964
Energy: 1.1820822159545303
Energy: 1.2302075340462268
Energy: 1.1815934471103657
Energy: 1.2302075340462268
Energy: 1.1814947570449705
Energy: 1.2280885101037902
Energy: 1.3580591723844364
Energy: 1.2280885101167267

minimum gb energy = 1.1547549961876111 eV
minimum distance =  2.29750095567864 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.144842304938774
Energy: 1.0710002975418187
Energy: 1.9147046969649486
Energy: 1.0710002975428288
Energy: 1.4310997845179119
Energy: 1.3804829482040906
Energy: 1.0724177433149165
Energy: 1.3804829482040906
Energy: 1.0655915286087054
Energy: 1.0654597561167645
Energy: 1.3895532788027822
Energy: 1.0654597561187846
Energy: 1.1335055663065527
Energy: 1.6681062324260074
Energy: 1.0719946158155378
Energy: 1.6681062324260074
Energy: 1.0738672506124876
Energy: 1.6685848789805924
Energy: 1.1058802970066641
Energy: 1.6685848789816025
Energy: 1.0253387782485734
Energy: 1.3796682370399251
Energy: 1.0752123479600724
Energy: 1.379668237037905
Energy: 1.0747865677994966
Energy: 1.3566997289547054
Energy: 1.1360154935490578
Energy: 1.3566997289536953
Energy: 1.0290675545256507
Energy: 1.1449081979842342
Energy: 1.0678679719979145
Energy: 1.1449081979872644
Energy: 1.0735998504716902
Energy: 1.3799681042923022
Energy: 1.5724666034723758
Energy: 1.379968104290282
Energy: 1.0315112892779161
Energy: 1.354618564166417
Energy: 1.1473638436087985
Energy: 1.3546185641654067
Energy: 1.0755707800145367
Energy: 1.0658120073641548
Energy: 1.654369016681266
Energy: 1.0658120073641548
Energy: 1.3584536562522287
Energy: 1.7162714573125177
Energy: 1.067944099029951
Energy: 1.7162714573125177
Energy: 1.0734688941620443
Energy: 1.1022830151664291
Energy: 1.4995770006256521
Energy: 1.1022830151674394
Energy: 1.3697136900010856
Energy: 1.3554227339943299
Energy: 1.0720980070209138
Energy: 1.3554227339912994
Energy: 1.0747055307701694
Energy: 1.0657847015819726
Energy: 1.0250956425383508
Energy: 1.0657847015829829
Energy: 1.3665082572401843
Energy: 1.5274380715557356
Energy: 1.0723286659798317
Energy: 1.5274380715557356
Energy: 1.073450254375954
Energy: 1.144356938130584
Energy: 1.0293500110949365
Energy: 1.144356938129574
Energy: 1.3814752942997253
Energy: 1.3798181820214939
Energy: 1.0755726226870987
Energy: 1.3798181820204836
Energy: 1.1532196475718985
Energy: 1.3549601989174864
Energy: 1.0314820289959454
Energy: 1.354960198933649
Energy: 1.6553218967988623
Energy: 1.5285529485636433
Energy: 1.0728074287358398
Energy: 1.5285529485646534
Energy: 1.0737788851973984
Energy: 1.4158917779192317
Energy: 1.0238636161815213
Energy: 1.415891777916201
Energy: 1.0653080686699061
Energy: 1.102252552653315
Energy: 1.0760212309269157
Energy: 1.1022525526553353
Energy: 1.0749743009284536
Energy: 1.3568618978277203
Energy: 1.3705419461286679
Energy: 1.3568618978206488
Energy: 1.025261407858175
Energy: 1.2617763683845882
Energy: 1.0724132064570768
Energy: 1.2617763683845882
Energy: 1.0732941648496186
Energy: 1.5256773812211608
Energy: 1.3661765140390012
Energy: 1.5256773812191406
Energy: 1.0310178014605629
Energy: 1.1448351522141766
Energy: 1.064993024136954
Energy: 1.1448351522131663

minimum gb energy = 1.0238636161815213 eV
minimum distance =  2.29932449760643 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.4591708338144633
Energy: 1.4599530698662744
Energy: 1.4169631028396752
Energy: 1.4599530698671026
Energy: 1.505570717909806
Energy: 1.2089960652917044
Energy: 0.959729117616317
Energy: 1.2089960652933607
Energy: 0.9997565601084961
Energy: 1.193598053531887
Energy: 1.6780634518346467
Energy: 1.1935980535294026
Energy: 1.2613330652495403
Energy: 1.447001799039677
Energy: 0.9596237811774211
Energy: 1.4470017990380206
Energy: 0.9535136358741371
Energy: 1.483427165220897
Energy: 1.005130593359901
Energy: 1.4834271652192408
Energy: 1.0140632564548302
Energy: 1.2080650374606128
Energy: 0.9596700240517769
Energy: 1.2080650374630975
Energy: 0.9586747711770993
Energy: 1.4509919566422418
Energy: 1.0132692066115971
Energy: 1.4509919566422418
Energy: 0.930246234937453
Energy: 1.2288647221247095
Energy: 0.9548701320186074
Energy: 1.2288647221263658
Energy: 0.9630386093227787
Energy: 1.22839790902324
Energy: 1.3749512809386082
Energy: 1.228397909024068
Energy: 0.9351932659363794
Energy: 1.1938877107206507
Energy: 1.0009620499658436
Energy: 1.1938877107206507
Energy: 0.9586502891109764
Energy: 1.2107183107676613
Energy: 1.6570129916316059
Energy: 1.2107183107684896
Energy: 0.933728920881227
Energy: 1.2308492722485809
Energy: 1.4602433503076828
Energy: 1.2308492722469244
Energy: 0.9628396803452562
Energy: 1.6279374874992407
Energy: 1.7724656552074605
Energy: 1.6279374874975843
Energy: 1.2020480729264145
Energy: 1.4183618396084796
Energy: 1.0011848361078666
Energy: 1.4183618396068232
Energy: 0.9587680595020494
Energy: 0.9757252945104947
Energy: 1.4499567830982447
Energy: 0.9757252944450685
Energy: 1.2179023084055518
Energy: 1.4802360642981534
Energy: 0.9548023965531615
Energy: 1.4802360642973251
Energy: 0.9630875216042255
Energy: 1.629246583723862
Energy: 1.318993823905247
Energy: 1.629246583723862
Energy: 1.2114803070494333
Energy: 1.3960552803944233
Energy: 0.9596353819376487
Energy: 1.396055280393595
Energy: 0.9586666377611242
Energy: 1.0001751666146226
Energy: 0.9303260534934406
Energy: 1.0001751666195915
Energy: 1.226620554077896
Energy: 1.2282750827653286
Energy: 0.9667651428180825
Energy: 1.228275082762016
Energy: 1.0045664515134851
Energy: 1.3955686184584315
Energy: 0.9333593015107459
Energy: 1.3955686184576033
Energy: 1.6669448261265702
Energy: 1.7821369599896684
Energy: 0.9599977520965616
Energy: 1.7821369599896684
Energy: 1.4630132755835255
Energy: 1.2300786764211133
Energy: 0.9359417627898731
Energy: 1.230078676426911
Energy: 1.4607842683500065
Energy: 1.6272689397919418
Energy: 0.968371645177512
Energy: 1.6272689397935978
Energy: 1.0045242967740795
Energy: 1.098349927435823
Energy: 0.9272904045690468
Energy: 1.0983499274325101
Energy: 1.4382007589834829
Energy: 1.7797984102971014
Energy: 0.9598967397658488
Energy: 1.7797984102962732
Energy: 0.9586179842085341
Energy: 1.2282188009689063
Energy: 1.218167384478244
Energy: 1.2282188009639374
Energy: 0.9546137843009337
Energy: 1.3982251823382825
Energy: 0.9667453019678746
Energy: 1.3982251823415954
Energy: 0.9631837268565607
Energy: 1.0979296192967312
Energy: 1.211605123924846
Energy: 1.097929619300872
Energy: 0.9305446620016419
Energy: 1.6784003005242636
Energy: 0.9643789487036295
Energy: 1.6784003005234354
Energy: 0.9671479158873505
Energy: 1.2284500438206751
Energy: 1.2263342192961975
Energy: 1.2284500438231596
Energy: 0.9360584058116334
Energy: 1.3950341262214787
Energy: 1.0101936730357248
Energy: 1.3950341262206505

minimum gb energy = 0.9272904045690468 eV
minimum distance =  2.26712420552162 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.324060242626962
Energy: 0.9064889203331034
Energy: 1.8102062048379852
Energy: 0.9064889203345065
Energy: 1.676781868352588
Energy: 1.0985592224933307
Energy: 0.90303374018251
Energy: 1.0985592224975405
Energy: 0.9415022864771723
Energy: 1.2958092288272882
Energy: 1.5811148645592308
Energy: 1.2958092288279897
Energy: 1.4740000293521367
Energy: 1.1022482628025476
Energy: 0.9029781754424887
Energy: 1.10224826279904
Energy: 0.8989737021491385
Energy: 1.2847814611680515
Energy: 0.9170338880630892
Energy: 1.284781461170156
Energy: 1.2904609097817172
Energy: 1.0966381487088404
Energy: 0.9028728536508628
Energy: 1.0966381487102435
Energy: 0.90243809526622
Energy: 1.312734628161199
Energy: 0.9218503474977545
Energy: 1.3127346281604972
Energy: 1.0797947889013095
Energy: 1.3147287831281147
Energy: 0.9027679857853611
Energy: 1.3147287831274135
Energy: 0.9051805640617856
Energy: 0.922429563713013
Energy: 1.2301962518965863
Energy: 0.9224295637151176
Energy: 0.8562122799614471
Energy: 0.901041014255195
Energy: 0.9001033237057172
Energy: 0.9010410144115841
Energy: 0.9027535227355268
Energy: 1.0993185433996364
Energy: 1.5144113157861643
Energy: 1.0993185432334251
Energy: 0.8593473553813515
Energy: 1.097943964591037
Energy: 0.942212583411133
Energy: 1.0979439645643767
Energy: 0.9054096658252015
Energy: 0.9228601605204718
Energy: 1.7489490836953767
Energy: 0.9228601605197702
Energy: 0.8596942956049705
Energy: 0.9066971393269233
Energy: 1.324441888674899
Energy: 0.9066971393304313
Energy: 0.9022515842796957
Energy: 1.1000184471346184
Energy: 1.6710827588226667
Energy: 1.1000184471731416
Energy: 1.0854444280724214
Energy: 1.097985997184371
Energy: 0.9421811492453659
Energy: 1.0979859971857744
Energy: 0.9051925531498005
Energy: 0.9224516638271932
Energy: 1.5815919114692782
Energy: 0.9224516638292981
Energy: 1.102566500263204
Energy: 1.28582638349151
Energy: 0.9001514366958602
Energy: 1.28582638349151
Energy: 0.9023253385678792
Energy: 1.096452930996381
Energy: 1.294197369177586
Energy: 1.0964529310012923
Energy: 1.0964918427823334
Energy: 1.0979997803084844
Energy: 0.9029135730595829
Energy: 1.0979997803169035
Energy: 0.9053472440986431
Energy: 1.1326692016190691
Energy: 1.1844968104432851
Energy: 1.1326692016274882
Energy: 1.104304379391055
Energy: 0.9241740953634752
Energy: 0.9090316618496861
Energy: 0.924174095353653
Energy: 0.9021093797684644
Energy: 0.900389325385596
Energy: 0.8552979085951616
Energy: 0.900389325398926
Energy: 1.5320710875387005
Energy: 1.0970129527353287
Energy: 0.9030398560706916
Energy: 1.097012952733224
Energy: 0.945007125537127
Energy: 1.1332495543711951
Energy: 0.8619887090066051
Energy: 1.1332495543642431
Energy: 1.4966196444485587
Energy: 0.9214544910346127
Energy: 0.9089853097177717
Energy: 0.9214544910374189
Energy: 1.3274373038793639
Energy: 0.9008502536510847
Energy: 0.8593951035572172
Energy: 0.9008502536489801
Energy: 1.6644534378272744
Energy: 1.0970931188343902
Energy: 0.903297608171265
Energy: 1.0970931188757835
Energy: 0.9446281424234042
Energy: 1.3125014157868558
Energy: 0.866358771507202
Energy: 1.3125014157896622
Energy: 1.2951570875161154
Energy: 0.9212936591369724
Energy: 0.9088146529141419
Energy: 0.9212936591411818
Energy: 0.902287949548389
Energy: 1.278465136804872
Energy: 1.102932223854569
Energy: 1.278465136804872
Energy: 1.3204832411129646
Energy: 0.9016597249137372
Energy: 0.9032903486210644
Energy: 0.9016597249046165
Energy: 0.9051949130308731
Energy: 1.3149661830144308
Energy: 1.0963368316412452
Energy: 1.3149661830144308
Energy: 0.8712854382191598
Energy: 1.1325504438517418
Energy: 0.9086430382315541
Energy: 1.132550443847532
Energy: 0.8758614143936102
Energy: 0.9806468507933309
Energy: 1.1050094589699522
Energy: 0.9806468507933309
Energy: 0.8555808007688888
Energy: 0.8999931767129825
Energy: 0.9058150640447244
Energy: 0.899993176712281
Energy: 0.90522668464222
Energy: 1.3148466688975404
Energy: 1.5407273685701943
Energy: 1.3148466688996452

minimum gb energy = 0.8552979085951616 eV
minimum distance =  2.28249378223613 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.2598337997943323
Energy: 0.900039001652705
Energy: 1.737013027613599
Energy: 0.900039001652705
Energy: 1.547241507610081
Energy: 1.0446206710009072
Energy: 0.8370332062812714
Energy: 1.044620670998473
Energy: 1.2015876218777348
Energy: 1.2023231025307088
Energy: 1.023234466174142
Energy: 1.2023231025294918
Energy: 1.4851291601052508
Energy: 1.0456288748512639
Energy: 0.8368401097574979
Energy: 1.0456288748457874
Energy: 0.8899474959304544
Energy: 1.1594656223758026
Energy: 0.8561593528305912
Energy: 1.1594656223764108
Energy: 1.3140590104894814
Energy: 1.048410030734846
Energy: 0.8368087620735729
Energy: 1.0484100307342374
Energy: 0.8328536451424428
Energy: 1.2298977911334654
Energy: 0.8788691996568048
Energy: 1.2298977911322484
Energy: 1.1485966994192034
Energy: 1.046277667646585
Energy: 0.8367759152881324
Energy: 1.046277667646585
Energy: 0.8362217120652811
Energy: 1.1808994464733837
Energy: 1.2130222882423989
Energy: 1.1808994464727753
Energy: 0.9649216463543085
Energy: 1.2297374478468828
Energy: 0.8336749146242668
Energy: 1.2297374478462741
Energy: 0.839030786796516
Energy: 1.0446412393832734
Energy: 1.239390962277258
Energy: 1.044641239385099
Energy: 0.7698823615054424
Energy: 0.8899141514530605
Energy: 0.8909381066443559
Energy: 0.8899141514518436
Energy: 0.8360664110771416
Energy: 1.1792367426927368
Energy: 1.6506906218677586
Energy: 1.1792367426933454
Energy: 0.7695264426146629
Energy: 1.2021721455709529
Energy: 1.2027059456699576
Energy: 1.2021721455709529
Energy: 0.8370676954482362
Energy: 1.046228811316279
Energy: 1.6393351784578878
Energy: 1.0462288113156706
Energy: 0.7717372094722977
Energy: 0.8996594912555256
Energy: 1.2605945590036258
Energy: 0.899659491256134
Energy: 0.8360258492469729
Energy: 1.1807665004080996
Energy: 1.763176600273698
Energy: 1.1807665004080996
Energy: 0.9697606373034696
Energy: 1.2024145564547575
Energy: 1.202331241388869
Energy: 1.2024145564559745
Energy: 0.8371697819750377
Energy: 1.0466094828029002
Energy: 1.4845396670920252
Energy: 1.0466094828029002
Energy: 0.9825886751846807
Energy: 0.8983930344762322
Energy: 0.8909100242971181
Energy: 0.8983930344756236
Energy: 0.8362446663789598
Energy: 1.1808956521186122
Energy: 1.4659418162826376
Energy: 1.1808956521192209
Energy: 0.9802163923322061
Energy: 1.2168953449849083
Energy: 0.8339105974818627
Energy: 1.2168953449849083
Energy: 0.8370901848472445
Energy: 1.0447833109919533
Energy: 1.1373224160502033
Energy: 1.0447833109925617
Energy: 0.997201323129748
Energy: 0.9297419423751152
Energy: 0.8368733933684765
Energy: 0.9297419423751152
Energy: 0.8360564902425679
Energy: 1.04578094277634
Energy: 1.1455558728261461
Energy: 1.04578094277634
Energy: 1.3425471467286858
Energy: 1.0442866397151034
Energy: 0.8375248261687284
Energy: 1.044286639713278
Energy: 0.8933888229441723
Energy: 0.8898995626570583
Energy: 0.7698289786855224
Energy: 0.8898995626576669
Energy: 1.3669735251456756
Energy: 0.9300516726520591
Energy: 0.8367213602727692
Energy: 0.9300516726526675
Energy: 1.2047055211838078
Energy: 1.0444760616864917
Energy: 0.771181337848107
Energy: 1.0444760616858833
Energy: 1.6399350475205907
Energy: 1.0460327343560845
Energy: 0.837349895772724
Energy: 1.0460327343548674
Energy: 1.262579151895452
Energy: 0.8899590173482674
Energy: 0.7723716935950318
Energy: 0.8899590173476588
Energy: 1.5229856492905405
Energy: 1.0772562667299936
Energy: 0.8369680488257261
Energy: 1.077256266730602
Energy: 1.2049754256841478
Energy: 1.0445305022474929
Energy: 0.7681276467795479
Energy: 1.0445305022474929
Energy: 1.4843213972476172
Energy: 1.0463385225539885
Energy: 0.8374425786525785
Energy: 1.0463385225539885
Energy: 0.8932849747023807
Energy: 0.8899513155078437
Energy: 0.9825936604600063
Energy: 0.8899513155078437
Energy: 1.1623226986324386
Energy: 0.9254251014329747
Energy: 0.8369218105961024
Energy: 0.9254251014323661
Energy: 0.8360992560871906
Energy: 1.044430333159252
Energy: 0.9800661108168225
Energy: 1.0444303331598606
Energy: 1.1409836068918364
Energy: 1.0447157623166472
Energy: 0.8382810390764334
Energy: 1.0447157623227321
Energy: 0.8391837378626462
Energy: 0.8897028119846526
Energy: 0.9969261357658383
Energy: 0.8897028119828273
Energy: 0.7918964582265688
Energy: 1.1109483869733583
Energy: 0.8377460416572508
Energy: 1.110948386973967
Energy: 0.8355369492941518
Energy: 1.0444220749719129
Energy: 1.3496902053012356
Energy: 1.0444220749725215
Energy: 0.7696596701996955
Energy: 0.8898050045621211
Energy: 0.8897302796006507
Energy: 0.8898050045596871
Energy: 0.837659136819796
Energy: 0.8896680103421821
Energy: 1.368001554212979
Energy: 0.8896680103427906

minimum gb energy = 0.7681276467795479 eV
minimum distance =  2.30242626898182 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020535175471356058
Energy: 0.0213930372001918
Energy: 1.6288353744105422
Energy: 0.021393037201075365
Energy: 1.1719391716224299
Energy: 0.4601708412588484
Energy: 0.4595031756098494
Energy: 0.46017084126025165
Energy: 0.020535175470940265
Energy: 0.0213930372001918
Energy: 1.628835374411426
Energy: 0.02139303720154314
Energy: 1.1719391716224299
Energy: 0.4601708412588484
Energy: 0.4595031756098494
Energy: 0.46017084126071944
Energy: 0.020535175470940265
Energy: 0.0213930372001918
Energy: 1.628835374411426
Energy: 0.02139303720154314
Energy: 1.1719391716224299
Energy: 0.4601708412593161
Energy: 0.4595031756098494
Energy: 0.46017084126025165

minimum gb energy = 0.020535175470940265 eV
minimum distance =  2.46571591137988 Angstroms
sigma value = 1