Model name: model_name=MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432871320217
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 4.998310445089799e-19, 5.249499697768319e-19, 5.4717215969041195e-19, 5.668757279353439e-19, 5.84355475012284e-19, 5.9983891000326e-19, 6.14719926579852e-19, 6.282999757296359e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-17]
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: 0.016398323681151787
Energy: 0.01714510571788314
Energy: 0.017316700148438228
Energy: 0.016626385533371004
Energy: 0.6526557603208101
Energy: 0.01676887370393577
Energy: 0.01714510571788314
Energy: 0.10664229918105116
Energy: 0.10647485982463695
Energy: 0.10635278274683896
Energy: 0.10650582774583275
Energy: 0.10741264104621413
Energy: 0.01731670014875251
Energy: 0.106474859823729
Energy: 0.10732058326843667
Energy: 0.016858420739897892
Energy: 0.10641208263990942
Energy: 0.10711891466792359
Energy: 0.016626385532742434
Energy: 0.10635278274593103
Energy: 0.01685842074084075
Energy: 0.016694983881691373
Energy: 0.10650726034978876
Energy: 0.016817405537897373
Energy: 0.6526557603214038
Energy: 0.10650582774275971
Energy: 0.106412082640538
Energy: 0.10650726035069669
Energy: 0.10627445904785439
Energy: 0.1063529990430792
Energy: 0.01676887370393577
Energy: 0.10741264104499193
Energy: 0.10711891466855217
Energy: 0.016817405538491027
Energy: 0.1063529990427649
Energy: 0.01689629409636509

minimum gb energy = 0.016398323681151787 eV
minimum distance =  2.54923788952291 Angstroms
sigma value = 1


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

Energy: 1.6653284675381674
Energy: 0.5610257857930846
Energy: 0.4389728714378237
Energy: 0.6754374381864997
Energy: -1.0723538037287395
Energy: 0.45708374140700614
Energy: 1.4025477441110903
Energy: 0.5864249125372438
Energy: 0.5872325108086079
Energy: 0.5852022040136177
Energy: 0.47375969595397355
Energy: 0.5885094208282179
Energy: 1.3636600403652146
Energy: 0.5678666425926763
Energy: 0.5622459966280667
Energy: 0.6767793514021809
Energy: 0.4633233927338042
Energy: 0.5869098182641289
Energy: 1.5124427644497132
Energy: 0.5882790793764338
Energy: 0.6575668952207081
Energy: 0.4565211339900378
Energy: 0.6155049192630124
Energy: 0.6563343978470327
Energy: 0.5095889064832502
Energy: 0.586462657127322
Energy: 0.5874339242723555
Energy: 0.5843069042721089
Energy: 0.5884107289191328
Energy: 0.5873380169079171
Energy: 1.2953106102146743
Energy: 0.6626154040259824
Energy: 0.6800002217476004
Energy: 0.6785966887692524
Energy: 0.6729151168495697
Energy: 0.677534638898031
Energy: 1.382199757607457
Energy: 0.6787042003776629
Energy: 0.6783699062243962
Energy: 0.6785885533654515
Energy: 0.6616265760692631
Energy: 0.6779632060179035
Energy: 1.320827896025075
Energy: 0.6803181094426204
Energy: 0.676090896330905
Energy: 0.6703951210787551
Energy: 0.6802694992484096
Energy: 0.6783058190151885
Energy: 1.0332504672854477
Energy: 0.680108414232866
Energy: 0.6804892507528743
Energy: 0.5869228996616463
Energy: 0.6778183415512966
Energy: 0.676695504859309
Energy: 1.0305815023514833
Energy: 0.587517324762552
Energy: 0.5879475611087613
Energy: 0.5682772002920945
Energy: 0.5845351853440726
Energy: 0.5877583423748096
Energy: 1.0912657648615276
Energy: 0.64142124551924
Energy: 0.6394012290186644
Energy: 0.614644775527373
Energy: -0.38440206743170185
Energy: 0.6663141813220533
Energy: 0.8348452232279032
Energy: 0.5873878966611814
Energy: 0.5874171173914008
Energy: 0.46077004870993005
Energy: 0.6767849918062354
Energy: 0.5737852733265427
Energy: 0.8335315463902336
Energy: 0.5847666222437516
Energy: 0.5854072940216556
Energy: 0.5887179994538578
Energy: 0.5833404370052685
Energy: 0.5883794015628326
Energy: 0.9041518934527639
Energy: 0.56640613360213
Energy: 0.6522392488157005
Energy: 0.1245040303379068
Energy: -0.3248917200854056
Energy: 0.6152851845073325
Energy: 0.8901133078684549
Energy: 0.585436312461314
Energy: 0.5883977243255191
Energy: 0.4640630346055016
Energy: 0.5846151602586857
Energy: 0.5879114691232626
Energy: 0.8907474186571418
Energy: 0.680566962597867
Energy: 0.6778197242075286
Energy: 0.4786573031573784
Energy: 0.6795833273530675
Energy: 0.6535990455923492
Energy: 1.155106376876086
Energy: 0.6600820232089158
Energy: 0.6578033790676737
Energy: 0.6612628388690945
Energy: 0.5412250284677815
Energy: 0.6522396437313162
Energy: 1.2052332848471758
Energy: 0.6799899288677947
Energy: 0.6790894161439556
Energy: 0.6778613734555586
Energy: 0.6783022277304863
Energy: 0.6789770397141849
Energy: 1.172369122575803
Energy: 0.679983589253042
Energy: 0.6785945734394155
Energy: 0.6781916580053251
Energy: 0.6811598542991452
Energy: 0.6778781081196298
Energy: 0.18859298281649603
Energy: 0.6802360426757673
Energy: 0.6801074748352549
Energy: 0.6786983443015573
Energy: 0.6783142520234298
Energy: 0.6779352706995214
Energy: 1.3636022969962978
Energy: 0.6606103622111786
Energy: 0.6481084990628101
Energy: 0.394280870459314
Energy: 0.6601914596457441
Energy: 0.6418643107622958
Energy: 1.287059525554281
Energy: 0.6596420098849481
Energy: 0.23513549866377623
Energy: 0.6749592205182781
Energy: 0.563060517739014
Energy: 0.6780476812507887
Energy: 1.4020144732060156
Energy: 0.5871025368586819
Energy: 0.5875344530467236
Energy: 0.486295419118705
Energy: 0.47415894297731576
Energy: 0.5884912369360173

minimum gb energy = -1.0723538037287395 eV
minimum distance =  2.38153111230001 Angstroms
sigma value = 33


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

Energy: 2.108882797187425
Energy: 0.67142069095819
Energy: 0.7813026447438208
Energy: 0.7141423852547306
Energy: 0.7026763362808031
Energy: 0.40263040270430916
Energy: 1.4426807458476314
Energy: 0.7334007373431033
Energy: 0.7194836821358024
Energy: 0.6567727038476971
Energy: 0.6971004186888526
Energy: 0.500360983249997
Energy: 1.4332743738716087
Energy: 0.6793544535254371
Energy: 0.4917706515679984
Energy: 0.7697489158158698
Energy: 0.6729911989180752
Energy: 0.8146857840627908
Energy: 1.5079854522046359
Energy: 0.5924160623297348
Energy: 0.5545584337651255
Energy: 0.7728804463805838
Energy: 0.6152759844225827
Energy: 0.7646605658922512
Energy: 0.5625052047809984
Energy: 0.6525696084157446
Energy: 0.6490735878836454
Energy: 0.6355638950872122
Energy: 0.6540701787448513
Energy: 0.6605318112301204
Energy: 1.463381504758609
Energy: 0.6583403064581413
Energy: 0.6478805692175731
Energy: 0.6413930900484217
Energy: 0.680778360311096
Energy: 0.6527324673150269
Energy: 1.4630116868499143
Energy: 0.6538610096549036
Energy: 0.6696850392796084
Energy: 0.6521529671736782
Energy: 0.6074912716138916
Energy: 0.6521328532977076
Energy: 1.2585465306098045
Energy: 0.7665390157172345
Energy: 0.7616140625416378
Energy: 0.6335957713999543
Energy: 0.7802989488301485
Energy: 0.7748604664591708
Energy: 1.1183590146355977
Energy: 0.7805649747889826
Energy: 0.7934263435392059
Energy: 0.7824940897667338
Energy: 0.7704662840213707
Energy: 0.6600225869362609
Energy: 1.1068193671823936
Energy: 0.7608411032682705
Energy: 0.7516045727931246
Energy: 0.7118043348475654
Energy: 0.7524221507685657
Energy: 0.762057736434322
Energy: 1.0130050409167204
Energy: 0.7475572489278366
Energy: 0.74026147536302
Energy: 0.7260616594886898
Energy: 0.7196568485707371
Energy: 0.7408158267694346
Energy: 0.9441039752583621
Energy: 0.7513114141757211
Energy: 0.7525887938488045
Energy: 0.7475129482787035
Energy: 0.7480776925415339
Energy: 0.7452679260067278
Energy: 0.9416200659117143
Energy: 0.7916028790595805
Energy: 0.7909481108072429
Energy: 0.7513234368530715
Energy: 0.791959653912285
Energy: 0.8195317677901903
Energy: 1.099679225237162
Energy: 0.7721966037112741
Energy: 0.7756254902206822
Energy: 0.7989730303650575
Energy: 0.7726217104535213
Energy: 0.7666850660221194
Energy: 1.0660761607467344
Energy: 0.792310765334737
Energy: 0.789388353544764
Energy: 0.8042685999908432
Energy: 0.7890805385996885
Energy: 0.7918136836475683
Energy: 1.0765655737998694
Energy: 0.7953911278851141
Energy: 0.8253432239814505
Energy: 0.8137437857372466
Energy: 0.8107989569343009
Energy: 0.8238494362004024
Energy: 1.3379376092906148
Energy: 0.77596593646236
Energy: 0.7704138186935878
Energy: 0.7683173980970486
Energy: 0.7795223577907542
Energy: 0.7720754682531403
Energy: 1.2954501885395757
Energy: 0.7472746362785269
Energy: 0.7698331859269953
Energy: 0.7658969609821783
Energy: 0.7804331327841993
Energy: 0.7811615948350016
Energy: 1.2977277866447308
Energy: 0.7356056980649324
Energy: 0.8094032477125418
Energy: 0.7790068722589635
Energy: 0.7765379918336128
Energy: 0.8010833083181303
Energy: 1.331766809200062
Energy: 0.7502991087064336
Energy: 0.7520455114295633
Energy: 0.724423229161064
Energy: 0.7518017275220689
Energy: 0.7511351358341587
Energy: 1.5952907919562673
Energy: 0.7625756701267444
Energy: 0.729068489728714
Energy: 0.7344739395883625
Energy: 0.7631663166365165
Energy: 0.7250993198936456
Energy: 1.4360693831989852
Energy: 0.7598700530592359
Energy: 0.7507076172529558
Energy: 0.7323855936012502
Energy: 0.7610221957047635
Energy: 0.7517161366414726
Energy: 1.312184404016626
Energy: 0.751438266946849
Energy: 0.7521565412176511
Energy: 0.7803614282827948
Energy: 0.7810321022981965
Energy: 0.7926697847513731
Energy: 1.5067819351444909
Energy: 0.8374923381366858
Energy: 0.8477326073239171
Energy: 0.6596455995439977
Energy: 0.8692993861655383
Energy: 0.6081309202760934
Energy: 1.303384427806506
Energy: 0.7932596235194882
Energy: 0.7930081195702752
Energy: 0.773000400843068
Energy: 0.7992702721930247
Energy: 0.7931188716118767
Energy: 1.4478332932662679
Energy: 0.8057644099837932
Energy: 0.8042899700580565
Energy: 0.8086589921666777
Energy: 0.7676709809506937
Energy: 0.8021432765841198
Energy: 1.4628393473239674
Energy: 0.7967916095259103
Energy: 0.7920870257880112
Energy: 0.7917745763897961
Energy: 0.7787187156916159
Energy: 0.7939277875752785
Energy: 0.48520158700265237
Energy: 0.7809086022691786
Energy: 0.7791082038177548
Energy: 0.7571456617202033
Energy: 0.7794189684221253
Energy: 0.7929306002233355
Energy: 1.1281241741791512
Energy: 0.7778847313689327
Energy: 0.7786236405511388
Energy: 0.7405767487168341
Energy: 0.7784460210562522
Energy: 0.8358046979319759
Energy: 1.1173336561337237
Energy: 0.7519594727002881
Energy: 0.7526561779782194
Energy: 0.744167797438555
Energy: 0.7527976757877071
Energy: 0.7450494563362008
Energy: 1.17959146260492
Energy: 0.7497262194160689
Energy: 0.7499323428913024
Energy: 0.7542757539278073
Energy: 0.7695135804563775
Energy: 0.7543943662188173
Energy: 0.9374477487921111
Energy: 0.748773046998859
Energy: 0.7486777724841471
Energy: 0.7275744208557622
Energy: 0.7503001833306832
Energy: 0.7623823457261082
Energy: 0.9360853484617014
Energy: 0.6704829597388785
Energy: 0.7755099063083605
Energy: 0.7296817488901811
Energy: 0.793156948793605
Energy: 0.7546480404979137
Energy: 0.9354069509352347
Energy: 0.7720721678914853
Energy: 0.7749730727163352
Energy: 0.6278159687881922
Energy: 0.772551749949552
Energy: 0.7675090789991447
Energy: 1.067855088120725
Energy: 0.7877398478720216
Energy: 0.6706191037522551
Energy: 0.6792599454443244
Energy: 0.6701162377785688
Energy: 0.7334879418975245
Energy: 1.0748268446523652
Energy: 0.386424788628873
Energy: 0.7561187472056328
Energy: 0.6458130528381717
Energy: 0.4772566488745083
Energy: 0.6750285754767201
Energy: 0.38234770534515305
Energy: 0.695348380231212
Energy: 0.6626524632585391
Energy: 0.6972481438583591
Energy: 0.6845755711064131
Energy: 0.694252547901111
Energy: 1.2814671937818845
Energy: 0.4937927461975967
Energy: 0.5655702221857551
Energy: 0.7802776405971218
Energy: 0.5933430193806718
Energy: 0.7393856506060025
Energy: 1.2952987593127219
Energy: 0.7338936109220596
Energy: 0.5387313027544561
Energy: 0.7647399618493235
Energy: 0.6760004883079226
Energy: 0.7740535430944726
Energy: 0.5731019789107656
Energy: 0.7424790336957096
Energy: 0.5254515237125729
Energy: 0.6695048493436587
Energy: 0.674707737422353
Energy: 0.744738344321725
Energy: 1.6321128364543538
Energy: 0.7258663195081518
Energy: 0.6800764608980732
Energy: 0.6804405005543948
Energy: 0.6194313291094468
Energy: 0.7053913854752043

minimum gb energy = 0.38234770534515305 eV
minimum distance =  2.26690337123496 Angstroms
sigma value = 51


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

Energy: 1.7161894933277024
Energy: 0.3827892274612677
Energy: -0.13284322173816038
Energy: 0.6860115931363994
Energy: 0.5784899791932703
Energy: 0.8303532679685943
Energy: 1.3373553600757138
Energy: 0.5769027733725153
Energy: 0.5845603968360431
Energy: 0.5774986269909992
Energy: 0.5774644470841466
Energy: 0.6596111069775158
Energy: 1.4093990500316054
Energy: 0.5748639802462007
Energy: 0.576434766326927
Energy: 0.6841394505788608
Energy: 0.5741162253746457
Energy: 0.6858698215477397
Energy: 1.4095598451597695
Energy: 0.18744979766010914
Energy: 0.72926447783585
Energy: 0.672314789481829
Energy: 0.33864412149377154
Energy: 0.6495909431770561
Energy: 1.2026473992092241
Energy: 0.6852033156488079
Energy: 0.5687801423237506
Energy: 0.5746023125809904
Energy: 0.6854176643286579
Energy: 0.5758550506912372
Energy: 1.162166475961049
Energy: -0.1704726096369048
Energy: 0.5900095736112353
Energy: 0.615003028884305
Energy: 0.6142342050410803
Energy: 0.5888861962787901
Energy: 1.1622184433250093
Energy: 0.5708696067050226
Energy: 0.5714773383255604
Energy: 0.6148474541958435
Energy: -0.16987808334129703
Energy: 0.567393073747738
Energy: 1.2537917685239315
Energy: 0.5587237936083869
Energy: 0.5595425660666415
Energy: 0.5714243457669266
Energy: 0.7506705322609509
Energy: 0.664758767157769
Energy: 0.8695553185263992
Energy: 0.7903813629228198
Energy: 0.5598055920601789
Energy: 0.5740080336856398
Energy: 0.5568600663964692
Energy: 0.5868112151111444
Energy: 0.8690574505609459
Energy: 0.5773689111866254
Energy: 0.7081955996149949
Energy: 0.30406446567354134
Energy: 0.7043731020003212
Energy: 0.6558993585562606
Energy: 0.8857075048184718
Energy: 0.6729799329395016
Energy: 0.672357249850696
Energy: 0.5729851064491926
Energy: 0.6947415941011378
Energy: 0.6726010497914712
Energy: 0.952118332112894
Energy: 0.2026987178002994
Energy: 0.2050992303820352
Energy: 0.5726245242714826
Energy: 0.6436835821057479
Energy: 0.6829426920582545
Energy: 0.9542295810389337
Energy: 0.7850835645865172
Energy: 0.7852713717120514
Energy: 0.5814316970571582
Energy: 0.8069483430139197
Energy: 0.7858728860030549
Energy: 1.1938316332775678
Energy: 0.7068879705039566
Energy: 0.6772526984916699
Energy: 0.6738526590163287
Energy: 0.7073206387921966
Energy: 0.6863919126488447
Energy: 1.2721070324571986
Energy: 0.5837241047706251
Energy: 0.6910347519477484
Energy: 0.776670178617302
Energy: 0.5807276190181048
Energy: 0.7853668302133898
Energy: 1.2734834779457131
Energy: 0.5724037591858848
Energy: 0.5814887863451806
Energy: 0.5655432813899923
Energy: 0.5756732395495032
Energy: 0.5637919762863264
Energy: 1.3859720881898612
Energy: 0.5739173901098558
Energy: 0.5794104700431694
Energy: 0.7133503466521145
Energy: 0.5765964538966982
Energy: 0.6802468251004485
Energy: 1.5444622262021148
Energy: 0.586738708486035
Energy: 0.6132272372726123
Energy: 0.7518449923567647
Energy: 0.5756488537914379
Energy: 0.6151874575961225

minimum gb energy = -0.1704726096369048 eV
minimum distance =  2.38681282377838 Angstroms
sigma value = 19


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

Energy: 1.4376726601456586
Energy: 0.8489704498924211
Energy: 0.8931808141963199
Energy: 0.778742024892161
Energy: 0.8174379805925487
Energy: 0.7889995377803486
Energy: 1.317430976808076
Energy: 0.8178427712727852
Energy: 0.817790914846236
Energy: 0.8466428214527765
Energy: 0.8178558552282854
Energy: 0.8542620381216185
Energy: 0.799995614823311
Energy: 0.8179705754352226
Energy: 0.8178579587770952
Energy: 0.83172326753038
Energy: 0.8180688813467927
Energy: 0.8184917110934221
Energy: 1.0841325691696373
Energy: 0.9274716958689597
Energy: 0.9266408336036865
Energy: 0.8147572586166961
Energy: 0.9277213567866877
Energy: 0.8182934896453858
Energy: 0.8024765250593067
Energy: 0.8544709883762821
Energy: 0.8539293464278677
Energy: 0.8047345454682728
Energy: 0.8559947968786329
Energy: 0.8677522154408652
Energy: 1.0806827468529066
Energy: 0.8018204430270405
Energy: 0.8478315785636998
Energy: 0.8545354164428292
Energy: 0.8015875037681692
Energy: 0.8489936160923135
Energy: 1.0816933151291837
Energy: 0.8464558178873621
Energy: 0.8471784619478905
Energy: 0.8539831585359157
Energy: 0.8046462845100643
Energy: 0.8592588953401067
Energy: 0.9242509263774377
Energy: 0.8582848027556925
Energy: 0.8018992108337901
Energy: 0.8183639059574006
Energy: 0.77409238451882
Energy: 0.8022088213313624
Energy: 0.817866570872
Energy: 0.8535931518231166
Energy: 0.8561059827270585
Energy: 0.8179575978329813
Energy: 0.8536644266526946
Energy: 0.8026144062372995
Energy: 0.8197077989993556
Energy: 0.8470032501951812
Energy: 0.8670279277140625
Energy: 0.8181314060578179
Energy: 0.8051022450886676
Energy: 0.8175886446500007
Energy: 0.8188579371836809
Energy: 0.8125313421404802
Energy: 0.8106918683273464
Energy: 0.8189497651880042
Energy: 0.8128432751884894
Energy: 0.8172090898773585
Energy: 1.1333864552158952
Energy: 0.805018781594222
Energy: 0.8676906548067572
Energy: 0.8176170590062175
Energy: 0.8052510985399449
Energy: 0.8540986836563638
Energy: 0.8035624297871315
Energy: 0.8539415754439816
Energy: 0.8540004455308542
Energy: 0.8059936966984868
Energy: 0.8540599926545347
Energy: 0.8485516658171891
Energy: 1.1329916092251164
Energy: 0.8596568096027474
Energy: 0.8591796746517173
Energy: 0.8046971903205421
Energy: 0.8272924526404074
Energy: 0.8497498634532967
Energy: 1.3517549960355992
Energy: 0.8180603808917529
Energy: 0.8176794877686193
Energy: 0.856483917692429
Energy: 0.8180162672601373
Energy: 0.8566420161397031
Energy: 1.354824972477499
Energy: 0.8180155836711207
Energy: 0.8029052019596636
Energy: 0.7777681668942978
Energy: 0.8191499679251595
Energy: 0.8018306574344104
Energy: 0.8185308400440968
Energy: 0.818028261455155
Energy: 0.8175645400624522
Energy: 0.8048261692518531
Energy: 0.8194028675565355
Energy: 0.8539369656750347
Energy: 1.0850765020682627
Energy: 0.8178400411770795
Energy: 0.8176896763260012
Energy: 0.815863595287058
Energy: 0.8180083754504899
Energy: 0.818625662315967
Energy: 1.0860110722476388
Energy: 0.817938340139206
Energy: 0.8184053503996594
Energy: 0.8163936614568682
Energy: 0.817864612147302
Energy: 0.8552410449027977
Energy: 1.079877473023071
Energy: 0.8017086787658035
Energy: 0.8490142254715106
Energy: 0.8047820130835417
Energy: 0.8016270438830961
Energy: 0.8464376771536661
Energy: 1.0805000036049137
Energy: 0.854439909980163
Energy: 0.8547133473007699
Energy: 0.830801563363058
Energy: 0.8558568627514858
Energy: 0.8493550393441645
Energy: 1.079561964914279
Energy: 0.8671304521600476
Energy: 0.8541938786600741
Energy: 0.8553442086862226
Energy: 0.8048739715862578
Energy: 0.8538879422718278
Energy: 0.9824021332840555
Energy: 0.775452839985875
Energy: 0.7742477149688145
Energy: 0.924444099099796
Energy: 0.7751528720138876
Energy: 0.803201146078136
Energy: 0.8178587969428645
Energy: 0.8674071155013136
Energy: 0.8538164349053138
Energy: 0.8178094173946318
Energy: 0.8538437718764541
Energy: 0.8176177469554878
Energy: 0.8180212706069434
Energy: 0.8678486561781135
Energy: 0.8678561765174105
Energy: 0.817960188244567
Energy: 0.8475270089195849
Energy: 0.8178150294500832
Energy: 0.8053145227842211
Energy: 0.8128252056322285
Energy: 0.8105212971071375
Energy: 0.8193904599426756
Energy: 0.8134608471976885
Energy: 0.8176886944208608
Energy: 1.132041304429032
Energy: 0.8048345240409992
Energy: 0.8469879533795215
Energy: 0.8179267775016329
Energy: 0.8045299356246473
Energy: 0.8539678214133382
Energy: 0.8018506569634735
Energy: 0.8562202054313673
Energy: 0.8583508469881884
Energy: 0.8015860247581726
Energy: 0.8540392738144166
Energy: 0.8485264524273489
Energy: 1.0684020119640265
Energy: 0.8560937976079483
Energy: 0.8582348367813514
Energy: 0.8046902201799878
Energy: 0.8538162943592774
Energy: 0.8511375320062762
Energy: 1.3528733295043618
Energy: 0.8180830677752808
Energy: 0.802899167027678
Energy: 0.7744789456257793
Energy: 0.8182252186302948
Energy: 0.8577667278192875

minimum gb energy = 0.77409238451882 eV
minimum distance =  2.38117534850662 Angstroms
sigma value = 27


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

Energy: 1.1632721234751444
Energy: 0.6186020929630472
Energy: 0.9386680234980019
Energy: 0.5861413960189226
Energy: 0.6396554461373776
Energy: 0.8784971815161212
Energy: 0.7768510704568327
Energy: 0.6390476255476266
Energy: 0.6468781095093386
Energy: 0.6462475707509578
Energy: 0.6383596933133848
Energy: 0.6460728916671797
Energy: 1.372985243160036
Energy: 0.6393201601624169
Energy: 0.6457893835656563
Energy: 0.6416773487563806
Energy: 0.64025373619843
Energy: 0.6483866816362629
Energy: 1.3691620909929096
Energy: 0.7722218948583118
Energy: 0.7717945765606784
Energy: 0.6444104137290998
Energy: 0.7716949439299745
Energy: 0.7577447673564739
Energy: 1.0175682854165817
Energy: 0.6202311202960065
Energy: 0.6483781885783954
Energy: 0.6434293725066309
Energy: 0.6208322120737698
Energy: 0.6481895281432768
Energy: 0.8777852222176737
Energy: 0.6204448503703643
Energy: 0.6167537394316969
Energy: 0.8042409394846091
Energy: 0.6019737911170436
Energy: 0.6169590664453157
Energy: 0.8075082411346994
Energy: 0.6461843405670844
Energy: 0.6457707897609833
Energy: 0.7412386971660887
Energy: 0.6453285547131151
Energy: 0.6428399683163701
Energy: 0.9815669271023513
Energy: 0.6429147067957478
Energy: 0.6443161987224069
Energy: 0.9373448706975515
Energy: 0.6264052205718963
Energy: 0.6402307726296668
Energy: 0.9467307537959005
Energy: 0.6431150710908956
Energy: 0.6331536350211847
Energy: 0.6425016143865964
Energy: 0.6438112677000961
Energy: 0.6448948370768892
Energy: 0.7644126583795142
Energy: 0.6435202467942057
Energy: 0.6461232010269663
Energy: 0.6437665280559415
Energy: 0.644718393120235
Energy: 0.6454479200135942
Energy: 0.9470701938172353
Energy: 0.6756609884685458
Energy: 0.6339104955005466
Energy: 0.6450162377570151
Energy: 0.6761509964143302
Energy: 0.6350508848567651
Energy: 0.7760033319743757
Energy: 0.6429768567279394
Energy: 0.6446217807720424
Energy: 0.6468289886127525
Energy: 0.6431042091431648
Energy: 0.6443859851741144

minimum gb energy = 0.5861413960189226 eV
minimum distance =  2.40969538238456 Angstroms
sigma value = 9


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

Energy: 0.8392030551822158
Energy: -0.023328537380676733
Energy: 0.4214463484459757
Energy: 0.6321919440562936
Energy: 0.5542386986073992
Energy: 0.7036158315908945
Energy: 0.9565729920522613
Energy: 0.4838975162723457
Energy: 0.5609406320918424
Energy: 0.5382799132175075
Energy: 0.5190847959927312
Energy: 0.5496431504091975
Energy: 1.0713687788771076
Energy: 0.5260546625858765
Energy: 0.5283170393118332
Energy: 0.5079750866901824
Energy: 0.5315794064889509
Energy: 0.5313094025050552
Energy: 1.0700826478017202
Energy: 0.6101338861885492
Energy: 0.6103133624205871
Energy: 0.49470255233272636
Energy: 0.5250532159737233
Energy: 0.6121822675692864
Energy: 0.6209197496551512
Energy: 0.5002603188608962
Energy: 0.5029672546706656
Energy: 0.5632135118521936
Energy: 0.5142296869536307
Energy: 0.5483690418343312
Energy: 0.7672816517528038
Energy: 0.5093742159059709
Energy: 0.5140367604533417
Energy: 0.5413882793085714
Energy: 0.4808231656528782
Energy: 0.5148086953825414
Energy: 0.6720190457485339
Energy: 0.5207236719600954
Energy: 0.5378240661568124
Energy: 0.48101426304963846
Energy: 0.5176159470195613
Energy: 0.5249035343777769
Energy: 0.8600579209664398
Energy: 0.5046990099892571
Energy: 0.6116796031700225
Energy: 0.6521953171275594
Energy: 0.5097385517551204
Energy: 0.516407553842299
Energy: 0.5744664680333814
Energy: 0.5125121880822784
Energy: 0.5184813545303988
Energy: 0.5228015141029397
Energy: 0.506719318505953
Energy: 0.5231196689127152
Energy: 1.2403609273828269
Energy: 0.6590577913466515
Energy: 0.6119656739571094
Energy: 0.438749008236167
Energy: 0.768285157913388
Energy: 0.5178509351900216
Energy: 1.2369601824164345
Energy: 0.5189078080794406
Energy: 0.5231277827786551
Energy: 0.47600380967067374
Energy: 0.5245694661605291
Energy: 0.523998494908228
Energy: 0.9585338270360813
Energy: 0.5085232112034023
Energy: 0.5476657386216588
Energy: 0.48853479012186296
Energy: 0.4593378591119794
Energy: 0.5256023979699417
Energy: 1.0500741614878841
Energy: 0.43715559698746953
Energy: 0.5217602921459651
Energy: 0.4641621882873406
Energy: 0.4806161869905942
Energy: 0.2463875310696955
Energy: 0.957998022870746
Energy: 0.5387269789983556
Energy: 0.5493390275605529
Energy: 0.5290880749208697
Energy: 0.5387483196957286
Energy: 0.5269498365009871
Energy: 0.6831533442122559
Energy: 0.49995738443289267
Energy: 0.5058799953640015
Energy: 0.5254540020185229
Energy: 0.5003608588682041
Energy: 0.6053343679442003
Energy: 0.6846277061858078
Energy: 0.5479333438517291
Energy: 0.5274330420393409
Energy: 0.5352338927251075
Energy: 0.5496595548237369
Energy: 0.5455304623357992
Energy: 0.6803890838642213
Energy: 0.4855653944466347
Energy: 0.5168747135553861
Energy: 0.526441835027255
Energy: 0.48470868678979856
Energy: 0.5354691636207108
Energy: 0.7063324317414661
Energy: 0.4624247031981338
Energy: 0.49035398813028697
Energy: 0.5546966424072187
Energy: 0.37322060272624347
Energy: 0.5475790811883571
Energy: 0.8252037521359642
Energy: 0.5777882975170752
Energy: 0.576548102764746
Energy: 0.5547673351632815
Energy: 0.5738958868911712
Energy: 0.5753585938017481
Energy: 0.7921870356646318
Energy: 0.5265696593758303
Energy: 0.5410510061609894
Energy: 0.5486132194891681
Energy: 0.5268744361036951
Energy: 0.5411652727614906
Energy: 0.6022258036968621
Energy: 0.5421715332142862
Energy: 0.5461853598467687
Energy: 0.5666573552427496
Energy: 0.5421305059407285
Energy: 0.5744993487814916
Energy: 0.8388576445705594
Energy: 0.517444000760245
Energy: 0.4978724572034276
Energy: 0.48175629558166466
Energy: 0.5350242222826639
Energy: 0.45253862614254714
Energy: 0.8445006277112432
Energy: 0.4803152160275265
Energy: 0.5370637267386172
Energy: 0.5198157836489051
Energy: 0.5170374494081644
Energy: 0.5374133235661552
Energy: 0.9656470584014795
Energy: 0.5267302119669011
Energy: 0.5234794068556353
Energy: 0.542788122996404
Energy: 0.5353369820698529
Energy: 0.5646699916097903
Energy: 1.0723332331477673
Energy: 0.4978232203641177
Energy: 0.5083667824828223
Energy: 0.5945561200916427
Energy: 0.5251874249570766
Energy: 0.5160614358655171
Energy: 0.9655024538799102
Energy: 0.5306110812250987
Energy: 0.5280541199361479
Energy: 0.5491495730499854
Energy: 0.5350980005148508
Energy: 0.5270850706991735
Energy: 0.8621462597235335
Energy: -1.110610590166636
Energy: 0.03217200029643881
Energy: 0.7506018850916467
Energy: -0.044321627121008705
Energy: 0.6114623173694459
Energy: 0.671065578854305
Energy: 0.5223225846180636
Energy: 0.5269683730274679
Energy: -0.45656921868512057
Energy: 0.5220210140118033
Energy: 0.5487400770088094
Energy: 0.6705056960612764
Energy: 0.5153794414344306
Energy: 0.5189852761158403
Energy: 0.5270637837687429
Energy: 0.5370199787807395
Energy: 0.5231680141095869
Energy: 0.693556931211129
Energy: 0.5232147000076072
Energy: 0.6071087914085129
Energy: 0.6089676573767736
Energy: 0.5090880451239267
Energy: 0.5230537619384648
Energy: 1.2350872798159491
Energy: 0.518487317644943
Energy: 0.5226412041194288
Energy: 0.5161083814405936
Energy: 0.526298031139683
Energy: 0.5253302731431058
Energy: 1.242509189303109
Energy: 0.6598559746390026
Energy: 0.659888997316198
Energy: 0.4518301292704531
Energy: 0.651804694666431
Energy: 0.5171536618329287
Energy: 0.9629782479447891
Energy: 0.43889031516471116
Energy: 0.5249141553553323
Energy: 0.5176961007336077
Energy: 0.48095163097755195
Energy: 0.5407485941880127
Energy: 1.0437526200971614
Energy: 0.687653415686521
Energy: 0.5206873920746559
Energy: -0.2827495385293642
Energy: 0.6677065573922849
Energy: 0.538595089713201
Energy: 1.1057459684616342
Energy: 0.5290693322068644
Energy: 0.5518611622962242
Energy: 0.504246824856517
Energy: 0.5377995591147702
Energy: 0.5471369204333176
Energy: 0.7312951802944156
Energy: 0.5383252246721485
Energy: 0.5225628424710391
Energy: 0.6039421150215809
Energy: 0.5363359883666714
Energy: 0.6107389460318514
Energy: 0.7294020344510151
Energy: 0.5240500136578908
Energy: 0.5229954531401767
Energy: 0.6118939349487514
Energy: 0.5122351084453841
Energy: 0.5295332312824298
Energy: 0.6807314159683183
Energy: 0.5318369674862481
Energy: 0.5323594691495088
Energy: 0.5189764482625198
Energy: 0.5284073658096476
Energy: 0.5747138244019102
Energy: 0.644019370530302
Energy: 0.6794543699511462
Energy: 0.6792455866705376
Energy: 0.6802139219865887
Energy: 0.6803832458142988
Energy: 0.573493194244889
Energy: 0.8245881251052866
Energy: 0.5334909193228327
Energy: 0.5333671355827463
Energy: 0.5590990246844438
Energy: 0.5339026133198509
Energy: 0.5631233690906731
Energy: 0.79065461206484
Energy: 0.5415983570562642
Energy: 0.5497966175527217
Energy: 0.5352734339109011
Energy: 0.5031995128770416
Energy: 0.5499045749063105
Energy: 0.8257592858657501
Energy: 0.541723886523687
Energy: 0.5415121101762125
Energy: 0.5447121459118891
Energy: 0.5416363506336228
Energy: 0.5478691927675043
Energy: 0.9723679290476268
Energy: 0.5163198169549175
Energy: 0.5353540814873406
Energy: 0.5201787792960185
Energy: 0.5525826691866682
Energy: 0.5377979044918971

minimum gb energy = -1.110610590166636 eV
minimum distance =  2.39668701105991 Angstroms
sigma value = 57


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

Energy: 0.7814389245945341
Energy: 0.27280169185836
Energy: 0.283890224699019
Energy: 0.28227776210206657
Energy: 0.5165487021658604
Energy: 0.6130600310996034
Energy: 0.5266209498078644
Energy: 0.42476577899376267
Energy: 0.42673027091656
Energy: 0.4210897651202932
Energy: 0.4345583179688257
Energy: 0.4263503435528154
Energy: 0.43222326590470905
Energy: 0.7573448685678721
Energy: 0.42916569521837233
Energy: 0.4512913309508516
Energy: 0.43691111785334524
Energy: 0.42207347907769477
Energy: 0.6955683182501934
Energy: 0.4225207128110087
Energy: 0.4560748878843062
Energy: 0.6909496018878554
Energy: 0.6872328952618276
Energy: 0.6902723225200471
Energy: 0.7098704855943062
Energy: 0.42730087623216795
Energy: 0.4277278156012477
Energy: 0.6788520839245058
Energy: 0.27972958017749194
Energy: 0.7122092897041525
Energy: 0.6497743088870415
Energy: 0.4441857771944715
Energy: 0.4469735318414497
Energy: 0.6774101316138612
Energy: 0.28355312220760215
Energy: 0.2834599180728874
Energy: 0.4103062704031003
Energy: 0.6876890024380666
Energy: 0.4281522044097306
Energy: 0.7222757917265914
Energy: 0.702919796515052
Energy: 0.16523914099732673
Energy: 0.8222432536009404
Energy: 0.8287256116309379
Energy: 0.791765744585418
Energy: 0.7133505896589326
Energy: 0.7167199575348722
Energy: 0.8245930313642993
Energy: 0.8647909393339717
Energy: 0.8455128969655843
Energy: 0.7843141083461768
Energy: 0.8611694968736318
Energy: 0.8247067407137384
Energy: 0.79808273118875
Energy: 0.391425837739697
Energy: 0.7706378554193591
Energy: 0.28387113063991326
Energy: 0.2843704623592451
Energy: 0.4314934483124047
Energy: 0.28369831046137145
Energy: 0.3227082543548426
Energy: 0.8160236085630921
Energy: 0.8510529043127582
Energy: 0.2844478771256916
Energy: 0.8286744274341081
Energy: 0.28435377416355934
Energy: 0.8607716680078831
Energy: 0.8002022182130539
Energy: 0.6259959537119475
Energy: 0.8101667012055753
Energy: 0.8036377921551577
Energy: 0.8176313766768977
Energy: 0.8072965495696378
Energy: -0.08303611340960802
Energy: 0.7701549716320003
Energy: 0.4398901774966613
Energy: 0.7887501262176818
Energy: 0.7870986921720768
Energy: 0.5813022159459204
Energy: 0.6832188347748024
Energy: 0.4711579713293099
Energy: 0.43038864626621065
Energy: 0.4220851321988205
Energy: 0.688685332762569
Energy: 0.7547873991207344
Energy: 0.2821888293039734
Energy: 0.28321371647271
Energy: 0.6934640428194335
Energy: 0.44824262888495464
Energy: 0.4508044850378684
Energy: 0.7584478513682013
Energy: 0.6800106999057088
Energy: 0.6834046400377652
Energy: 0.6896369027336943
Energy: 0.4267843040584082
Energy: 0.6959960417267111
Energy: 0.7006757039954395
Energy: 0.6364586028007252
Energy: 0.3704300725266994
Energy: 0.7033582766312197
Energy: 0.4314862341053604
Energy: 0.44072158065787
Energy: 0.7101635942394917
Energy: 0.4482499360264572
Energy: 0.432886136462934
Energy: 0.4585655934062553
Energy: 0.4341997523532199
Energy: 0.6891239176620928
Energy: 0.6412229755633941
Energy: 0.4291301369799337
Energy: 0.42341652019743303
Energy: 0.28600082852352515
Energy: 0.423184715458716
Energy: 0.42329524303082644

minimum gb energy = -0.08303611340960802 eV
minimum distance =  2.39935722402494 Angstroms
sigma value = 11


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

Energy: 0.16485222093880464
Energy: 0.9061371322886695
Energy: 0.7493629528050899
Energy: 0.713224827880461
Energy: 0.839182838462094
Energy: 0.7513127630270009
Energy: 0.35110338598807167
Energy: 0.11760059578520599
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Energy: 0.13424741863973128
Energy: 0.5750954417814187
Energy: 0.17577541751355819
Energy: 0.18374192727069744

minimum gb energy = -0.5437457172335816 eV
minimum distance =  2.39443921002321 Angstroms
sigma value = 41


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

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Energy: -0.04327040815798099
Energy: -0.5055037122520754
Energy: 0.06394265057581387
Energy: -0.03112066140262289

minimum gb energy = -1.2152443377946847 eV
minimum distance =  2.40346869443547 Angstroms
sigma value = 33


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

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Energy: 1.0157506614662493
Energy: 0.00703310563107948
Energy: 0.7245478318469671
Energy: 1.0200726340193977

minimum gb energy = -1.201413617330849 eV
minimum distance =  2.38131850223765 Angstroms
sigma value = 67


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

Energy: 1.1016334069844946
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Energy: 0.4504579132652676
Energy: 0.4488007989341783

minimum gb energy = -0.15749833213528838 eV
minimum distance =  2.41497689454353 Angstroms
sigma value = 3


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

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minimum gb energy = -2.61253497943273 eV
minimum distance =  2.35285412112773 Angstroms
sigma value = 81


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

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Energy: 0.1990815399291051
Energy: -1.1769979395137165
Energy: -1.2598910453911314
Energy: 0.5406307118561693
Energy: -1.2569554109703813
Energy: -1.253717976792752
Energy: 0.5371928852850953
Energy: -0.12642051416783193
Energy: 0.15525942187549208
Energy: 0.21251862652222195
Energy: -0.1252612771851822
Energy: 0.15587375399583803

minimum gb energy = -1.6681058272961633 eV
minimum distance =  2.41601460599654 Angstroms
sigma value = 43


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

Energy: 0.8131222900515495
Energy: 0.545251527063639
Energy: 0.1972051519135426
Energy: -0.3006941604656102
Energy: 0.46888312019731404
Energy: 0.1435401917952527
Energy: 0.48013177707534965
Energy: 0.36817357482488555
Energy: 0.6138085665723065
Energy: -0.3879527724160651
Energy: 0.37329018330484864
Energy: 0.3166967163985497
Energy: 0.2850293655176297
Energy: -0.5536416553504439
Energy: -0.5523459074909646
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Energy: -0.5668526320016591
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Energy: 0.1184836879534689
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Energy: -0.1277684070524094
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Energy: -0.32412157608457676
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Energy: -0.28574389434623726
Energy: -0.32218984477335516
Energy: -0.9889043155773932
Energy: 0.14435955136360054
Energy: 0.14392081632321257
Energy: -0.5449616818159031
Energy: 0.1584136141811279
Energy: 0.24620627134920423
Energy: 0.6088066002659447
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Energy: 0.477579584586444
Energy: 0.0077125150201098665
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Energy: -0.13433961790973645
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Energy: -0.2764914080936285
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Energy: -0.07684259839951589
Energy: 0.4926760075637376
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Energy: 0.25799356605092555
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Energy: 0.3770979127098201
Energy: -0.6241767655732151
Energy: 0.40956801755518674
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Energy: -0.5960480412626696
Energy: -0.8474247272923571
Energy: -0.8389430334469812
Energy: -0.8007165886596374
Energy: -1.020654496514195
Energy: -0.8420627467756329
Energy: 0.00441126587530998
Energy: -0.12828922804061108
Energy: -0.4093437087913332
Energy: 0.018504816800885462
Energy: 0.7543568906129575
Energy: 0.006150463029211729
Energy: 0.062095051288919526
Energy: -0.15329366979128997
Energy: 0.005554972144591651
Energy: 0.06345230695588645
Energy: -1.1475945515465324
Energy: -0.17482075726293142
Energy: -0.22206414836796198
Energy: -0.18306321915865276
Energy: -0.17450108725322291
Energy: -0.21983804039929214
Energy: -1.1188966814920074
Energy: -0.19260198439888082
Energy: -0.19310333219376416
Energy: -0.9088912337275268
Energy: -0.19241516210998974
Energy: -0.2181553886360602
Energy: -1.0321473377593118
Energy: -0.37452066044817756
Energy: -0.3728561969887609
Energy: -0.19483461243560682
Energy: -0.17783171156489683
Energy: -0.3943157614858398
Energy: 0.1526442838367226
Energy: -0.6169728358352072
Energy: 0.23613222604051493
Energy: 0.19659600327438426
Energy: -0.7174567685586881
Energy: 0.2358006739768594
Energy: 0.15062282059714957
Energy: -0.17454762206278263
Energy: -0.31326062302967383
Energy: -0.38316328333026295
Energy: -0.17823699799112167
Energy: -0.366349667643566
Energy: 0.6271460274463356
Energy: -0.6272674484956056
Energy: 0.3625513783401561
Energy: 0.4706849333460868
Energy: -0.6977800668341475
Energy: 0.38854320342672777

minimum gb energy = -1.1605026712634987 eV
minimum distance =  2.32276606422508 Angstroms
sigma value = 57


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

Energy: 0.7775554637032003
Energy: -0.19456403226274965
Energy: -0.19405996355881117
Energy: 0.3328251136414621
Energy: 0.3488149462294363
Energy: -0.19484618755530542
Energy: 0.3320335498320368
Energy: 0.25632205956827053
Energy: 0.24703728701099162
Energy: 0.24697838175931164
Energy: 0.2570834699432021
Energy: 0.2456338747984382
Energy: -0.14264578334865013
Energy: -0.26845507204193175
Energy: -0.26808985641774125
Energy: -0.3961172288682641
Energy: -0.2752455045876162
Energy: -0.26999020131430296
Energy: 0.5767008392703467
Energy: -0.2737372430072963
Energy: -0.2738728107400941
Energy: 0.07672112376607942
Energy: -0.27340242293453954
Energy: 0.24605734633543472
Energy: -1.6227243183612359
Energy: -0.44756882619301525
Energy: -0.44709061549174806
Energy: -0.4478597621085512
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Energy: -0.30347528817720054
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Energy: -0.44560062487364765
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Energy: 0.24561633244233405
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Energy: -0.29729784404358317
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Energy: 0.24568097973620376
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Energy: 0.24592053218875318
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Energy: -0.4468743257003221
Energy: -0.44831618230378617
Energy: -0.445541203475477
Energy: -0.4470506404255894
Energy: -1.4960523343389487
Energy: -0.44550062054384615
Energy: -0.4462750464010916
Energy: -0.4455295784545995
Energy: -0.4459489761990273
Energy: -0.4463184562666564
Energy: 0.5923034896303897
Energy: -0.3961180913580103
Energy: -0.39640258397220945
Energy: 0.26907197987312204
Energy: -0.19000472812886995
Energy: -0.39676252119552347
Energy: 0.4294743063812075
Energy: -0.3963415828496481
Energy: -0.39585724575966214
Energy: -0.39664371272445165
Energy: -0.3963618004463669
Energy: -0.3955785609893534
Energy: 0.5902086470508658
Energy: -0.19129484756566217
Energy: -0.19117744260744238
Energy: 0.24537419146331388
Energy: -0.19130258230859967
Energy: 0.2467014825456253
Energy: 0.23399759376160806
Energy: 0.44917864270033536
Energy: 0.45084170618901526
Energy: -0.013074038695647924
Energy: 0.33226075482007783
Energy: 0.450410659670559
Energy: 0.6310094390241718
Energy: -0.1896336321192884
Energy: -0.19061213262347487
Energy: -0.3960280696334061
Energy: -0.19171129256735708
Energy: 0.10518260670334573
Energy: 0.6229621622890701
Energy: -0.19045413022724844
Energy: 0.05350556761310835
Energy: 0.6473731705966336
Energy: -0.19027163458773363
Energy: 0.05336767946838544

minimum gb energy = -1.6227243183612359 eV
minimum distance =  2.38230260851288 Angstroms
sigma value = 17


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

Energy: 0.8062858908935705
Energy: 0.4860640713844594
Energy: 0.4871066620755086
Energy: 0.36984666587325726
Energy: 0.2952536410041056
Energy: 0.37210133271054346
Energy: 0.48448316388139456
Energy: 0.30321063490770966
Energy: 0.3332777107709781
Energy: 0.31992670461971023
Energy: 0.3340402847833531
Energy: 0.333849006870004
Energy: 0.4486714008921194
Energy: 0.12313568067754459
Energy: 0.09746988489615264
Energy: 0.2739977508998022
Energy: 0.12410923236706756
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Energy: 0.5942039700176316
Energy: 0.15054064048337834
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Energy: 0.3352014752183253
Energy: 0.2720121825197866
Energy: 0.3011211207001444
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Energy: 0.0911670723143269
Energy: 0.07776588539829327
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Energy: 0.07774340695150173
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Energy: 0.056618363781752556
Energy: -1.0970118766005281
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Energy: -0.21905188907074616
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Energy: -0.2211172579719617
Energy: -0.22107383990506613
Energy: -0.22102863542801196
Energy: -0.22046577023610933
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Energy: 0.3715080184293753
Energy: -0.21894842650277396
Energy: -0.2169396558949211
Energy: -0.217336239896656
Energy: -0.22104514839808376
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Energy: 0.05729662079979139
Energy: 0.06308969490439512
Energy: 0.07589334159721214
Energy: 0.11383355760941827
Energy: 0.06250197158104945
Energy: 0.4119013117372986
Energy: 0.07805912846035577
Energy: 0.07820611626423811
Energy: 0.08813573908193388
Energy: 0.09052061345829325
Energy: 0.07784195950446061
Energy: 0.4610658562254943
Energy: 0.3014367547005126
Energy: 0.2978783343473843
Energy: -0.47913946423007003
Energy: 0.1305159285928828
Energy: 0.297132572374447
Energy: 0.4605523583353528
Energy: 0.2726477947699346
Energy: 0.25466052673791506
Energy: 0.17971381115911877
Energy: 0.27354115453186045
Energy: 0.2731758503359342
Energy: 0.6677794110776322
Energy: 0.25420905276145217
Energy: 0.29935015601883885
Energy: 0.31430760121982393
Energy: 0.27339124683396404
Energy: 0.3342821521843105
Energy: 0.3780135987421072
Energy: 0.37544549578504205
Energy: 0.4683223050400979
Energy: 0.4162560160223886
Energy: 0.38829819503207064
Energy: 0.4677114249957347
Energy: 0.6723065616672664
Energy: 0.2557825094771764
Energy: 0.33371493021513876
Energy: 0.3016852138482699
Energy: 0.2738636767756329
Energy: 0.30208744960532824
Energy: 0.6710832899537315
Energy: 0.27244466488298397
Energy: 0.4265738454453967
Energy: 0.3946999639905318
Energy: 0.27184518073775504
Energy: 0.4367064786141513

minimum gb energy = -1.0970118766005281 eV
minimum distance =  2.39053433864963 Angstroms
sigma value = 17


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

Energy: 0.5778801832506246
Energy: 0.5124183998896802
Energy: 0.40547639830370796
Energy: 0.29733297479154747
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Energy: 0.5973597835662935
Energy: -0.02495307660432098
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Energy: 0.30773243528447475
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Energy: -0.5928177986622998
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Energy: -0.15144206639797317
Energy: -0.1509379471509858
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Energy: -0.1510931743385145
Energy: 0.12719326617588503
Energy: -0.14814561554098582
Energy: -0.15083300648278586
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Energy: 0.05713375278389683
Energy: 0.09258617197747462
Energy: 0.14240660657505597
Energy: 0.05854103015307405
Energy: 0.6274057453802965
Energy: 0.05757954893424425
Energy: 0.05819622048078365
Energy: 0.0922320923181468
Energy: 0.07777847838008783
Energy: 0.09060440457722252
Energy: 0.46503025242624296
Energy: 0.10695496355609936
Energy: 0.08451706311733212
Energy: 0.09253893766969161
Energy: 0.10391174774519422
Energy: 0.08371397715292483
Energy: 0.6536601433101941
Energy: 0.28051315754680045
Energy: 0.31096851573923384
Energy: 0.14743990572721596
Energy: 0.259319966643277
Energy: 0.32089841209274617
Energy: 0.594027450762691
Energy: 0.25869445681056974
Energy: 0.2593569520499891
Energy: 0.08533386796797542
Energy: 0.25896575108725617
Energy: 0.2859856458937555
Energy: 0.6482348781909205
Energy: 0.16526982312185085
Energy: 0.3215310522083751
Energy: 0.0733531306593238
Energy: 0.17437737325868002
Energy: 0.3124336579270572
Energy: 0.6527221418070788
Energy: 0.31547298405650886
Energy: 0.2913063170081885
Energy: 0.13739059396214387
Energy: 0.32248644790591796
Energy: 0.3058330947812735
Energy: 0.6935060044365918
Energy: 0.25890233728549306
Energy: 0.25927277637142215
Energy: 0.30160816753605807
Energy: 0.2592632820573887
Energy: 0.28957340536502074

minimum gb energy = -0.8520475546644055 eV
minimum distance =  2.40199576342144 Angstroms
sigma value = 57


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

Energy: 0.5356034276524338
Energy: 0.3068842654697029
Energy: -0.08808542970533308
Energy: 0.28040828190053113
Energy: 0.36679516373805154
Energy: -0.08822564153967384
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Energy: 0.24312876131052666
Energy: 0.2532020569445011
Energy: 0.23208503855819784
Energy: 0.24370856539213992
Energy: 0.2457177505543784
Energy: 0.7089831953323413
Energy: 0.12680523052202924
Energy: 0.1281522997497312
Energy: 0.272156974473503
Energy: -0.1701740229841642
Energy: 0.06628728983584431
Energy: 0.6278310449442881
Energy: 0.1572016770500482
Energy: 0.03419008326558068
Energy: 0.24363354620651118
Energy: 0.23917255293044543
Energy: 0.03333345745985993
Energy: 0.6053912020722172
Energy: 0.017887194359700025
Energy: 0.018342695305588873
Energy: -0.018323430881632203
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Energy: 0.017930784390445185
Energy: 0.5223303241639646
Energy: 0.060926195397545166
Energy: 0.01827387157852801
Energy: -0.04063493888365089
Energy: 0.02762504025183567
Energy: 0.018625868126987372
Energy: 0.5427483223933517
Energy: 0.23143942090387434
Energy: 0.1394804508102588
Energy: 0.14243316763222388
Energy: 0.027900977374027677
Energy: 0.12464926644755567
Energy: 0.5588484797587996
Energy: -0.16386553077749377
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Energy: 0.14081594362622232
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Energy: 0.5437683360254205
Energy: 0.2146545263855858
Energy: -0.11692966230056327
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Energy: 0.5950703447015361
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Energy: -0.10736171363592713
Energy: 0.17738428584918892
Energy: -0.05260706342941064
Energy: -0.11966841059613698
Energy: 0.5217339140049665
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Energy: 0.6414780366051546
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Energy: 0.3415856376665975
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Energy: 0.1509255780320565
Energy: -0.07820304312216453
Energy: -0.04319648733235505
Energy: 0.08814720837760331
Energy: -0.06641464343284668
Energy: 0.5626094174517893
Energy: 0.1506167565328355
Energy: -0.17494407783727065
Energy: -0.07019529189274022
Energy: 0.11366793564583154
Energy: -0.17303163513268524
Energy: 0.5352259866127314
Energy: 0.06516984997802139
Energy: -0.1747228542898935
Energy: 0.027788402143236503
Energy: 0.1599784218633801
Energy: -0.17323997372067715
Energy: 0.6242920197854697
Energy: 0.23030784607775204
Energy: 0.2310351553777288
Energy: 0.055996118021296885
Energy: -0.04211675899351472
Energy: 0.213438258364115
Energy: 0.6087365253473958
Energy: -0.06675033578328617
Energy: -0.070837384295125
Energy: 0.01840387146087179
Energy: -0.06809314187669915
Energy: 0.018453468191578875
Energy: 0.5870403523002341
Energy: 0.01836692944764479
Energy: 0.0185966037184769
Energy: 0.01846203556587227
Energy: 0.22063393027790995
Energy: 0.01814649090671787
Energy: 0.5332644334822043
Energy: 0.23343096520067072
Energy: 0.07901950686731563
Energy: 0.13374157322007188
Energy: 0.061281499939387425
Energy: 0.07903628981041312
Energy: 0.6238357425025541
Energy: 0.23971596304748352
Energy: 0.22695988552905366
Energy: -0.03239339820926857
Energy: 0.23984390052479115
Energy: 0.23030819862858812
Energy: 0.6806728957318403
Energy: 0.07855240857888537
Energy: 0.24746999139204662
Energy: 0.01832421961813009
Energy: -0.028642634577294022
Energy: 0.2612776005478745
Energy: 0.7095965972275741
Energy: 0.06642765311945797
Energy: 0.29628275186183967
Energy: 0.3630731250547453
Energy: -0.05868050442855226
Energy: 0.20166387085717016
Energy: 0.6436335041545563
Energy: 0.22255815335879384
Energy: 0.22252820185532435
Energy: 0.25137665111933094
Energy: 0.23257798266177626
Energy: 0.24508023466306303
Energy: 0.5364040902440564
Energy: 0.23788711246342897
Energy: 0.000905799211808812
Energy: 0.14627526380950923
Energy: 0.23771354912453455
Energy: -0.1630780273958193

minimum gb energy = -0.3703670690449855 eV
minimum distance =  2.33489247891437 Angstroms
sigma value = 43


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

Energy: 0.47125854522799565
Energy: 0.24872731648719845
Energy: 0.04874779598525675
Energy: 0.28609580852386685
Energy: 0.11100018960024598
Energy: 0.1705312755975729
Energy: 0.6542045518062771
Energy: 0.10165401655845001
Energy: 0.028535690934563308
Energy: 0.10552888348970786
Energy: 0.09258801737075224
Energy: 0.08609047775921562
Energy: 0.5862656854547846
Energy: 0.22403853612197924
Energy: 0.18732736159064597
Energy: 0.0710493266970889
Energy: 0.25303004107970134
Energy: 0.14024088611317645
Energy: 0.5957241068574094
Energy: 0.022069331627041493
Energy: 0.1807066621436977
Energy: 0.07002661864466149
Energy: -0.5184542896041905
Energy: 0.05614787898105704
Energy: 0.4586498124748807
Energy: 0.09689194431859932
Energy: 0.1381153247511658
Energy: 0.17848301250565965
Energy: 0.04820963282518439
Energy: 0.09261240452813642
Energy: 0.4476044777397596
Energy: 0.08377968005259116
Energy: 0.04800203739342277
Energy: 0.2039911576783233
Energy: 0.07807460776718972
Energy: 0.1876350132343919
Energy: 0.47017642608467086
Energy: 0.219571561546553
Energy: -0.2998661670010828
Energy: 0.059808592621052446
Energy: 0.21845273052113742
Energy: 0.06714179507563815
Energy: 0.6399433283888244
Energy: 0.19617648269345062
Energy: -0.5972816752573553
Energy: 0.06878784279206625
Energy: 0.15130128034597992
Energy: -0.588338746717344
Energy: 0.49472659696860466
Energy: -0.6766613913930422
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Energy: -0.09766642153712006
Energy: 0.002413525555995105
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Energy: 0.1655421760642924
Energy: 0.17316101496990963
Energy: 0.05493330408214281
Energy: 0.1428284370455463
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Energy: 0.44355100151199356
Energy: 0.07916172708334539
Energy: 0.11807652700947145
Energy: 0.03826799788178746
Energy: 0.038025585382943206
Energy: 0.19066122070486477
Energy: 0.4795290431385531
Energy: 0.16143496760006018
Energy: 0.17254844373086073
Energy: 0.17158878883796155
Energy: 0.03750966120818456
Energy: 0.1450446530438969
Energy: 0.4811386308108166
Energy: 0.2754006691487802
Energy: 0.12791627941895992
Energy: 0.1508774720213601
Energy: 0.2064169824525421
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Energy: 0.3062880473479883
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Energy: 0.3058642931410681
Energy: 0.44714199000652927
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Energy: 0.32442995013827153
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Energy: 0.32392596567118415
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Energy: 0.3143193472603401
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Energy: 0.4428472348351562
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Energy: 0.10991330253825951
Energy: 0.06217243020008909
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Energy: -0.5336209521092895
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Energy: -0.0010680874217082355
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Energy: 0.09106272120710644
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Energy: 0.19375047686762403
Energy: 0.0834452395470432
Energy: 0.44892818317397354
Energy: 0.023986924843168445
Energy: 0.1822016597106748
Energy: 0.16647775482385893
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Energy: 0.1748102757444424
Energy: 0.4453711209849368
Energy: 0.048629000388871246
Energy: 0.0646090053494324
Energy: 0.09420096875946989
Energy: 0.04328984635353293
Energy: 0.18876959151834974
Energy: 0.48154257688194596
Energy: 0.07563203941412971
Energy: 0.12152240836352309
Energy: 0.173651649393111
Energy: 0.08098921165438469
Energy: 0.12188852957726007
Energy: 0.5403902007839811
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Energy: 0.07690176702600025
Energy: 0.10528367364019851
Energy: 0.09769204849827082
Energy: 0.6601352309092328
Energy: 0.2044121468997375
Energy: -0.5194542565102419
Energy: 0.041053293329987785
Energy: 0.19511450010448542
Energy: -0.5515967185070656
Energy: 0.6456542545776447
Energy: 0.2013650804631582
Energy: -0.34586973914758945
Energy: 0.147569502976737
Energy: 0.20236384630227344
Energy: 0.12140822938627485
Energy: 0.454002882767814
Energy: 0.10998368570715761
Energy: 0.07103239691691501
Energy: 0.22033438154143986
Energy: 0.11761543308259875
Energy: 0.21716587213657357
Energy: 0.4729369530301291
Energy: 0.1557428722103148
Energy: 0.1790426107231979
Energy: 0.1853898673105372
Energy: 0.1253762845278766
Energy: 0.09641087320087663
Energy: 0.6463706531210717
Energy: 0.04935411409576273
Energy: 0.032116049916254656
Energy: 0.044599934495477965
Energy: 0.21180085968284065
Energy: 0.09288799494418959
Energy: 0.5898909526865028
Energy: 0.2993969565494639
Energy: 0.11132503365473656
Energy: 0.04429592770806502
Energy: 0.23171787696004414
Energy: 0.2161844437479084
Energy: 0.6542045570895398
Energy: 0.15754727908482133
Energy: 0.15833215192286385
Energy: 0.10834063884317084
Energy: 0.1254874734744763
Energy: 0.09634752428692847

minimum gb energy = -0.6766613913930422 eV
minimum distance =  2.38220389255963 Angstroms
sigma value = 81


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

Energy: -0.034590015218447845
Energy: 0.614907298872273
Energy: -0.03377987155272612
Energy: -0.03258402072865625
Energy: -0.031465776151168745
Energy: -0.03394122184993476
Energy: -0.006112871575030087
Energy: -0.033570509884614436
Energy: -0.03351561751567133
Energy: -0.005706089052381418
Energy: -0.03087705206724858
Energy: -0.03368987380734666
Energy: -0.007187767998859935
Energy: -0.03376480949257068
Energy: -0.034015571646030945
Energy: -0.007215585718716117
Energy: -0.033709603999428336
Energy: -0.00670720872465274
Energy: -0.030797698184259124
Energy: -0.0338854928037438
Energy: -0.03373866798602598
Energy: -0.031410460466480786
Energy: -0.033884476835302824
Energy: -0.006328793876111682
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Energy: -0.007036952416738852
Energy: -0.0058730521475078975
Energy: -0.005958180422878159
Energy: -0.006774454540965443
Energy: -0.005389308502932109
Energy: -0.033278027340013706
Energy: -0.033536884058165975
Energy: -0.0336192777403981
Energy: -0.03182218431292357
Energy: -0.03350452355387057
Energy: -0.03381598627536706
Energy: -0.004213642818946222
Energy: -0.03367149213948949
Energy: -0.03365929811357964
Energy: -0.006642834339873951
Energy: -0.03355448517217822
Energy: -0.03343377544411667
Energy: -0.004765384182497119
Energy: -0.03399417636025292
Energy: -0.03388610373861882
Energy: -0.006938782682671588
Energy: -0.033971409678635454
Energy: -0.006317394993934738
Energy: -0.03266980758307574
Energy: -0.03383489660551189
Energy: -0.0051021642589664865
Energy: -0.03215156607094038
Energy: -0.03382555441003402
Energy: -0.00525552171468722
Energy: -0.03320535325359549
Energy: -0.007168650724614486
Energy: -0.0065842192131073535
Energy: -0.033141373577814916
Energy: -0.007104142379409093
Energy: -0.006719535336622109

minimum gb energy = -0.034590015218447845 eV
minimum distance =  2.52951012476044 Angstroms
sigma value = 3


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

Energy: 0.32987019886412505
Energy: 0.3626069106499
Energy: -0.4841145808618448
Energy: 0.28125921354054784
Energy: 0.36710806218256853
Energy: -0.5558281416237844
Energy: 0.4971506283309916
Energy: 0.35056019063413313
Energy: 0.33231101541480046
Energy: 0.3270615919336041
Energy: 0.35214626416714984
Energy: 0.3288103537045347
Energy: 0.3831295404273685
Energy: -0.9014736671439846
Energy: -0.887476375579386
Energy: 0.3467040856900962
Energy: -0.9001341747827954
Energy: 0.34227811514393625
Energy: 0.47363092416783154
Energy: -0.653971359133718
Energy: -0.8870876157702867
Energy: 0.417801672664833
Energy: -0.5793688373005755
Energy: 0.33774338228438827
Energy: 0.38600116717135663
Energy: 0.34431521000364285
Energy: 0.33170868821059996
Energy: 0.37933869141815085
Energy: 0.34955695764538425
Energy: 0.32881423695436995
Energy: 0.39495233327323986
Energy: 0.35108656739579525
Energy: -1.0043579816183497
Energy: 0.36180512370629414
Energy: 0.34494195137235695
Energy: -0.7467656199495435
Energy: 0.48406539858276876
Energy: 0.43095382949899413
Energy: 0.34470809456299273
Energy: 0.48350216311599337
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Energy: 0.3591992811602671
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Energy: 0.3510152288566046
Energy: 0.345287274039742
Energy: 0.35346464173752895
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Energy: 0.4087407469060545
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Energy: 0.3565300638246159
Energy: 0.3213219256615794
Energy: -0.8681250514011707
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Energy: 0.43762226124163217
Energy: -0.9769384827731616
Energy: 0.37962629410209425
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Energy: 0.29037465593908135
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Energy: 0.36328996006901343
Energy: 0.421089181593087
Energy: 0.37192519577810496
Energy: 0.41735627351601956
Energy: 0.3396899690045441

minimum gb energy = -1.0823491012143223 eV
minimum distance =  2.37102225978554 Angstroms
sigma value = 67


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

Energy: 0.43062933343503107
Energy: -0.7688646998316502
Energy: -1.9400092742145858
Energy: -0.8794397844892405
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Energy: -1.3787248856260923
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Energy: -1.2159291373744554
Energy: -1.5817833316825531
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Energy: -0.9734460448028952
Energy: 0.42483859219670606
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Energy: -1.2176909592891083
Energy: -2.196711635205271
Energy: -1.9667646127956018
Energy: -0.9470524551606256
Energy: 0.4324366279851676
Energy: 0.37354890421277104
Energy: -1.5253322925981165
Energy: -0.7802615395837442
Energy: -2.0003043910133864
Energy: -1.2412780904995213
Energy: 0.5096597646036516
Energy: -1.7527263687712984
Energy: 0.3720414890120852
Energy: -2.7789403881413404
Energy: -1.8936581562216608
Energy: -1.5374834865713531
Energy: 0.6356287027530025
Energy: 0.4835554036458846
Energy: -0.8169789108899428
Energy: -1.2923872833280128
Energy: 0.5406016220440732
Energy: -1.1148893003705216

minimum gb energy = -2.7789403881413404 eV
minimum distance =  2.35743552540878 Angstroms
sigma value = 33


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

Energy: 0.316672440726707
Energy: -0.1652508325039181
Energy: 0.47968145698527426
Energy: -1.5040585746425164
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Energy: -0.2698712908625815
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Energy: 0.4732875041609737
Energy: -0.3913078926116068
Energy: -0.047254628086024715
Energy: -0.4339621611292458

minimum gb energy = -2.3527210188571512 eV
minimum distance =  2.38196432741413 Angstroms
sigma value = 41


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

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Energy: 0.6866755326021868
Energy: 0.6630609418018284
Energy: 0.6412452699850316
Energy: 0.6882308082845882
Energy: 0.6625891240219137

minimum gb energy = -0.9266954469994091 eV
minimum distance =  2.3784703734829 Angstroms
sigma value = 11


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

Energy: 0.910420865187407
Energy: 0.9543048676224086
Energy: 0.8342716090406598
Energy: 0.8600848940132874
Energy: 0.8701019753612005
Energy: 0.9104337682545127
Energy: 1.1183315106018323
Energy: -0.22437351127455474
Energy: -0.4105255868885384
Energy: 0.7428410789871751
Energy: -0.6178438259491053
Energy: 0.8191826814835019
Energy: 1.1955760413793763
Energy: 0.8201798325511482
Energy: 0.8191896924134064
Energy: 0.7905528629610366
Energy: 0.8216896643244127
Energy: 0.8220912620898104
Energy: 0.9023821740290291
Energy: 0.8243101895761149
Energy: 0.7977452242077673
Energy: 0.7906269924904473
Energy: 0.8254218837063869
Energy: 0.7963930901382817
Energy: 0.9176632566503872
Energy: 0.8306289795876589
Energy: 0.8300043935621355
Energy: 0.4743052344462347
Energy: 0.8136039404818373
Energy: 0.8293180606968978
Energy: 0.9027215016077358
Energy: 0.8322616459673373
Energy: 0.8332504817771691
Energy: 0.829370097736292
Energy: 0.8322098799653281
Energy: 0.8339800752519573
Energy: 0.9317430446982079
Energy: 0.833207416682593
Energy: 0.8342995846167054
Energy: 0.8297015616802514
Energy: 0.8274721745380029
Energy: 0.8245866178756551
Energy: 1.0226091454797261
Energy: 0.8299215391598459
Energy: 0.829722531305562
Energy: 0.7767663320367855
Energy: 0.8208853091782103
Energy: 0.8297451512782706
Energy: 0.8950609121036928
Energy: 0.8257048789761985
Energy: 0.8236543389254144
Energy: 0.827304794494703
Energy: 0.8288563427275394
Energy: 0.8247209261142324
Energy: 0.8918228132011756
Energy: 0.7952444616241892
Energy: 0.7959762902173663
Energy: 0.8256640497421287
Energy: 0.7889516590518411
Energy: 0.8244325146215651
Energy: 0.9772440979326071
Energy: -0.1399707457897163
Energy: 0.4044813500608001
Energy: -0.18508665070882488
Energy: 0.5490480679640917
Energy: 0.833040765041493
Energy: 0.9031001946408694
Energy: 0.821316763217791
Energy: 0.7999097962727341
Energy: -1.310052382810976
Energy: 0.8009842108430993
Energy: 0.8108490896180385
Energy: 0.9160500118236482
Energy: 0.7394933685919628
Energy: 0.7957793972064299
Energy: 0.8191830220899271
Energy: 0.7388970940111914
Energy: 0.52444194333858
Energy: 0.8907704488227587
Energy: 0.8513380168212403
Energy: 0.8310521740685933
Energy: 0.8232625756248672
Energy: 0.8208838492249078
Energy: 0.8337342998222687
Energy: 0.9173240791073439
Energy: 0.8317982250153307
Energy: 0.829645352523185
Energy: -0.5157526875832388
Energy: 0.8302771999746321
Energy: 0.8292013098830113
Energy: 0.9739557545360383
Energy: 0.8327563353575694
Energy: 0.8314106167353174
Energy: 0.7538106706637616
Energy: 0.8306834993668195
Energy: 0.8313760273421504
Energy: 0.9582478411802191
Energy: 0.8320238534882556
Energy: 0.8308177522371889
Energy: 0.8492760487090247
Energy: 0.8321033475460866
Energy: 0.8308452684765744
Energy: 0.8773064163649252
Energy: 0.796571070841379
Energy: 0.8365340611832455
Energy: 0.849506913530836
Energy: 0.7982592719052152
Energy: 0.8199380793697997
Energy: 0.9246279816487217
Energy: 0.8315716066638708
Energy: 0.8306471394196867
Energy: 0.7958977554856964
Energy: 0.7960809225659468
Energy: 0.8300083813605135
Energy: 0.909459089677535
Energy: 0.8199078012530827
Energy: 0.819076678608465
Energy: 0.8199639953555795
Energy: 0.821345439909941
Energy: 0.8043048656820101
Energy: 1.0740354727428831
Energy: 0.8255259450981436
Energy: 0.7545104477139951
Energy: 0.298179457299725
Energy: 0.8237778538222328
Energy: -0.1478749407170783
Energy: 0.9423250555768778
Energy: 0.7990889287478464
Energy: 0.7977362118481314
Energy: 0.7738395731835375
Energy: -0.15380779171485637
Energy: 0.7595992382279185
Energy: 0.8950256666501739
Energy: 0.8390706547692178
Energy: 0.8112934514152943
Energy: 0.8119934504850761
Energy: 0.8407511119710331
Energy: 0.8352472863490408
Energy: 1.0996480977750345
Energy: 0.334354780211209
Energy: 0.8309053147116706
Energy: 0.12538599182845805
Energy: 0.8637120774139253
Energy: 0.8317600414261973
Energy: 0.9446785491695519
Energy: 0.8607128937130683
Energy: 0.8448276080090764
Energy: -0.3453013373289646
Energy: 0.8347954512404017
Energy: 0.8284197954183051
Energy: 0.9122433549076625
Energy: -0.48721278625836484
Energy: 0.8299090581680901
Energy: 0.8318359883427136
Energy: 0.7636911907938141
Energy: 0.829796739650821
Energy: 0.9158769473779775
Energy: 0.8320970199848958
Energy: 0.8315704640022709
Energy: 0.8298547604568304
Energy: 0.8139740236133354
Energy: 0.8308049300498249
Energy: 0.9105751841165091
Energy: 0.8451293852511993
Energy: 0.8291910495458801
Energy: 0.8297129554729922
Energy: -0.34473652960816514
Energy: 0.8286744592962318
Energy: 0.9248147451942015
Energy: 0.8246003521636186
Energy: 0.8241752732369106
Energy: -0.14582881819306928
Energy: 0.822833277128755
Energy: 0.8229019004807686
Energy: 1.1925801487721037
Energy: 0.7684695721737279
Energy: 0.8510293919840376
Energy: 0.7372399026865529
Energy: 0.7772192180107044
Energy: 0.831898501295138
Energy: 0.8607861670203045
Energy: 0.8477709443393711
Energy: 0.844233304940189
Energy: 0.806730173948484
Energy: 0.8512699759128683
Energy: 0.8441023880989547

minimum gb energy = -1.310052382810976 eV
minimum distance =  2.34439080838024 Angstroms
sigma value = 57


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

Energy: 1.6385910370904706
Energy: 0.9592487967597003
Energy: 0.9560918953687275
Energy: 0.9556329531942752
Energy: 1.0178252833758417
Energy: 0.9543687519554824
Energy: 1.1037360598952293
Energy: 0.9669669502778624
Energy: 0.9662796423343878
Energy: 0.964245786553586
Energy: 0.9675912313831365
Energy: 0.9247267251424203
Energy: 1.2155995385020044
Energy: 0.9044882673726485
Energy: 0.9038337061070402
Energy: 1.0169531256810824
Energy: 0.9056960274782474
Energy: 0.9686028006742714
Energy: 1.0519160537985874
Energy: 0.9250887453125277
Energy: 0.9244795521885447
Energy: 0.9665604106330451
Energy: 0.9093260316724209
Energy: 0.9235910080895791
Energy: 1.022246791530828
Energy: 0.9256560715562319
Energy: 0.9223753021044521
Energy: 0.9641324218580037
Energy: 0.9667086187069327
Energy: 0.9211627369688853
Energy: 1.0510281534502055
Energy: 0.9700928100336594
Energy: 0.9255762199607811
Energy: 0.9279483832814002
Energy: 0.9640727547688716
Energy: 0.9240661146570639
Energy: 1.0687401633016538
Energy: 0.9113475525034823
Energy: 0.909473509857371
Energy: 0.9637860162923775
Energy: 0.9100843175903519
Energy: 0.922973425165176
Energy: 1.1988160644440096
Energy: 0.9279420413757972
Energy: 0.9235978665228471
Energy: 0.96574945713651
Energy: 0.928648310764737
Energy: 0.924090072020583
Energy: 1.089741458003245
Energy: 0.9671247052778252
Energy: 0.910181872805378
Energy: 0.9125097405934361
Energy: 1.0155968443749384
Energy: 0.9094864550306663
Energy: 1.0905195419669684
Energy: 0.9670854127753122
Energy: 0.9101871803132533
Energy: 0.9121252834662885
Energy: 0.9673694104650328
Energy: 0.9092074153946815
Energy: 1.1983565672898824
Energy: 0.9250060916794594
Energy: 0.9239916808501915
Energy: 0.9649729316985042
Energy: 0.9288680671498979
Energy: 0.925796962704999
Energy: 1.0520220858749925
Energy: 0.9040299115456838
Energy: 0.9044644368204494
Energy: 0.9678195433593033
Energy: 0.9057180138673587
Energy: 0.9672450102346523
Energy: 1.0524930812567295
Energy: 0.9651910860909534
Energy: 0.924780289140075
Energy: 0.9681867643116021
Energy: 0.9675222756747371
Energy: 0.9225961720899334
Energy: 1.0520475856379945
Energy: 0.9254233284689737
Energy: 0.9227080237531691
Energy: 0.9279007826988416
Energy: 0.9968473174856483
Energy: 0.9230935646682389
Energy: 1.0194009028283733
Energy: 0.9094784569094596
Energy: 0.9211082910638686
Energy: 0.9287671113010322
Energy: 0.9097302557778667
Energy: 0.920900148751796
Energy: 1.203631108100833
Energy: 0.9118945039814474
Energy: 0.9108650890291544
Energy: 0.9277586432801148
Energy: 0.908912845580711
Energy: 0.923627221496187
Energy: 1.0697399393499274
Energy: 0.9679180826808158
Energy: 0.9668795913904079
Energy: 0.9486846956851961
Energy: 0.9676324917679469
Energy: 0.9260847176775714

minimum gb energy = 0.9038337061070402 eV
minimum distance =  2.36068282879329 Angstroms
sigma value = 9


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

Energy: 1.1082189989076328
Energy: 0.9424971751916957
Energy: 0.9626577088014538
Energy: 0.42515977586699166
Energy: 0.12506815927820059
Energy: 0.9623362218352547
Energy: 1.1832440790064576
Energy: 0.8702304313587637
Energy: 0.9338974151939619
Energy: -0.8878254529662207
Energy: 0.9009986463922012
Energy: 0.9108296784567657
Energy: 1.06704275700091
Energy: -0.04124388952574899
Energy: 0.897139732445917
Energy: 0.9554599131684124
Energy: -0.0013000738994232825
Energy: 0.867846648859094
Energy: 1.0440074648933457
Energy: 0.901889098231468
Energy: 0.7857962534487042
Energy: 0.8399265477091624
Energy: 0.9234935498081489
Energy: 0.5192306976617415
Energy: 0.9968617705253903
Energy: 0.9091768408991924
Energy: 0.9330990245838398
Energy: 0.8684038502701792
Energy: 0.9451460579149974
Energy: 0.8715850971206902
Energy: 0.9969295312488639
Energy: 0.8223771491730435
Energy: 0.9103587726950264
Energy: 0.7769725285963709
Energy: 0.9074837817377878
Energy: 0.9106719671089459
Energy: 1.050887908805858
Energy: 0.8827172326455001
Energy: 0.953494696639492
Energy: 0.29293964674618056
Energy: 0.9259686224439914
Energy: 0.9543061584246997
Energy: 1.1331118673010498
Energy: 0.8650463597568578
Energy: 0.8434342099956336
Energy: 0.9040235153525379
Energy: 0.9011237519021796
Energy: 0.8916872973568646
Energy: 1.1010910036265402
Energy: 0.9062001071164585
Energy: 0.8922992270665526
Energy: 0.9228496184771487
Energy: 0.9256903580546579
Energy: 0.8736421907532772
Energy: 1.0997108419196953
Energy: 0.8960877880454792
Energy: 0.935284636032705
Energy: 0.9550003263520943
Energy: 0.8705743081516036
Energy: 0.8594056088277836
Energy: 1.1309463325707936
Energy: 0.9165458394364867
Energy: 0.9567999026221404
Energy: 0.6678298364944172
Energy: 0.9287096042990673
Energy: 0.9568873628523191
Energy: 1.0657314609164306
Energy: 0.6389138926259155
Energy: -0.8555055641718481
Energy: 0.8942805246879271
Energy: 0.6880512299053065
Energy: 0.9101452091323994
Energy: 1.0191250106630318
Energy: 0.828175285717158
Energy: 0.9182915301057197
Energy: 0.9669176667266995
Energy: 0.7497040058840877
Energy: 0.8288056152276674
Energy: 1.1619622060150183
Energy: 0.5381524559902096
Energy: 0.9009217478696674
Energy: 0.9654487057475477
Energy: 0.8926480360786397
Energy: 0.9630484338142731
Energy: 1.062692258749425
Energy: 0.8881662115877361
Energy: 0.44494908445803466
Energy: 0.8248626288484329
Energy: 0.9034823829904784
Energy: 0.9439304217828296
Energy: 1.0115765046593457
Energy: 0.8773903595427409
Energy: 0.8632494561445831
Energy: -0.9984114765783213
Energy: 0.9298970649096335
Energy: 0.8606699094761691
Energy: 1.001292693358343
Energy: 0.2944713247198414
Energy: 0.2974135900473047
Energy: 0.8607611339615304
Energy: -0.8867540110832228
Energy: 0.8504554229198568
Energy: 1.010241950400327
Energy: 0.8965208623546199
Energy: 0.849791563791835
Energy: 0.27652557357197993
Energy: 0.864222459850914
Energy: 0.9324421121006998
Energy: 1.0492954352701218
Energy: 0.7361099697515501
Energy: 0.8623767981323183
Energy: -0.8728868034369943
Energy: -0.9326231883914692
Energy: 0.8606027038201138
Energy: 1.067718567146499
Energy: 0.7340092708502571
Energy: 0.9095558026279479
Energy: 0.906422603084911
Energy: 0.9369859723488881
Energy: 0.9011139862503473
Energy: 1.0922927469045667
Energy: 0.9348190121493039
Energy: 0.9333827612787735
Energy: 0.9007901045850759
Energy: 0.9059841809254167
Energy: 0.9628463182293887

minimum gb energy = -0.9984114765783213 eV
minimum distance =  2.33933855435715 Angstroms
sigma value = 27


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

Energy: 1.9261069134087594
Energy: 0.9426058803301641
Energy: 0.9405596999277648
Energy: 1.0172927606118531
Energy: 0.3929994321874474
Energy: 1.0244281750415452
Energy: 1.1678917071008152
Energy: 0.9005568812395894
Energy: 0.9569151375532324
Energy: 0.916834524451119
Energy: 0.9117354598561126
Energy: 0.9586477966451149
Energy: 1.1073205372175512
Energy: 0.9479586454787854
Energy: 0.9480521287509327
Energy: 0.8996352710885976
Energy: 0.937054440444755
Energy: 0.8409932713784444
Energy: 1.1177325958811968
Energy: 0.9336201091359838
Energy: 0.9344512309570203
Energy: 0.9023196194795144
Energy: 0.9022493533893515
Energy: 0.9481235131289079
Energy: 1.0595891622814497
Energy: 0.9473903102652974
Energy: 0.9449883788106176
Energy: 0.9419132823060173
Energy: 0.9371281318362136
Energy: 0.9431521203646337
Energy: 1.0709968783553967
Energy: 0.9296306864816267
Energy: 0.8866877131694588
Energy: 0.9198815024508028
Energy: 0.9279649290502705
Energy: 0.6975865550273344
Energy: 1.0689840709027243
Energy: 0.9537207476082394
Energy: 0.9550697873460252
Energy: 0.9737233635856213
Energy: 0.952854379461343
Energy: 0.9585411826113087
Energy: 1.059080163509504
Energy: 0.9837391044310422
Energy: 0.9864364953688813
Energy: 0.8567189840353598
Energy: 0.984584156877109
Energy: 0.9100157148954645
Energy: 1.2884900662784835
Energy: 0.8516793688261488
Energy: 0.9434856195600364
Energy: 0.844044741403074
Energy: 0.8625571050976049
Energy: 0.9448555871957101
Energy: 1.0602034239970826
Energy: 0.9141953136963559
Energy: 0.9179311138150773
Energy: 0.7423372016386771
Energy: 0.938819235113787
Energy: 0.9069950110457001
Energy: 1.0622889477525075
Energy: 0.9754510636992483
Energy: 0.9771408398023617
Energy: 0.9586582929624197
Energy: 0.9949143577632718
Energy: 0.9793732193237918
Energy: 1.1588606546427354
Energy: 0.9772505683671039
Energy: 0.9781827429517922
Energy: 0.9329801666275537
Energy: 0.9774467405012653
Energy: 0.9792852785264212
Energy: 1.1419499142046403
Energy: 1.0159901183730777
Energy: 0.5511737736922228
Energy: 0.9799912148747896
Energy: 0.45059484480257733
Energy: 0.35149014331917006
Energy: 1.1448596653424232
Energy: 0.9902373029499375
Energy: 0.9875690001470712
Energy: 0.9830480631103828
Energy: 0.9931981844734077
Energy: 0.9848468671170818
Energy: 1.1307978419033127
Energy: 0.9152236019914192
Energy: 0.9229206565241879
Energy: 0.6094750150479918
Energy: 0.914063234598226
Energy: 0.9145571862528664
Energy: 1.097321089490436
Energy: 0.9973880822674892
Energy: 0.9960508677317644
Energy: 0.744127487679242
Energy: 0.9834373277607455
Energy: 0.9444412612070479
Energy: 1.0560209179184197
Energy: 0.9109995180551379
Energy: 0.9200873177660415
Energy: 0.9199129091721105
Energy: 0.8681299224945935
Energy: 0.9486295481438893
Energy: 1.0750016087869974
Energy: 0.8905704406453908
Energy: 0.5934708399126876
Energy: 0.9617028905958781
Energy: 0.9265959521232032
Energy: 0.8700204710938653
Energy: 1.0515417287272766
Energy: 0.9856346201893174
Energy: 0.9852055434229822
Energy: 0.8371598445195421
Energy: 0.9845140872083729
Energy: 0.9794803151361142
Energy: 1.022440104045643
Energy: 0.9858339416708698
Energy: 0.9855104546676335
Energy: 0.9871119499875891
Energy: 0.9843276228855872
Energy: 0.9795111425094694
Energy: 1.042201138894247
Energy: 0.9747722312639924
Energy: 0.99109907588678
Energy: 0.9621289324467208
Energy: 0.8841072925263187
Energy: 0.9935800305274328
Energy: 1.0506559172400358
Energy: 0.8644169771200527
Energy: 0.960935936774699
Energy: 0.20589481581156527
Energy: 0.8645865360783322
Energy: 0.946801069382582
Energy: 0.9634712395594156
Energy: 0.9982070106343393
Energy: 1.0073128256999118
Energy: 0.9083451744304786
Energy: 0.9555926482503
Energy: 0.7880255871695585
Energy: 1.1827078085858092
Energy: 0.9913357726184736
Energy: 0.9073033560216761
Energy: 0.900347363467992
Energy: 0.9158009665309116
Energy: 0.9390846976822976
Energy: 1.1667420976404272
Energy: 0.9069109906409314
Energy: 0.16779626525484506
Energy: 0.15579383975344657
Energy: 0.8848812447302484
Energy: 0.3821022718616724

minimum gb energy = 0.15579383975344657 eV
minimum distance =  2.3457023702502 Angstroms
sigma value = 19


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

Energy: 1.1565452302402448
Energy: 0.8922093143889888
Energy: 0.8644117822527247
Energy: 0.8788971573261704
Energy: 0.8735034879426105
Energy: 0.8526670025065807
Energy: 1.1682621909241029
Energy: 0.2588905566670292
Energy: 0.8576808504003922
Energy: 0.8478295654351137
Energy: 0.17859855400338584
Energy: 0.8354767124988014
Energy: 1.031669825026271
Energy: 0.8801146949243509
Energy: 0.879138472540101
Energy: 0.7893581699403557
Energy: 0.850656112988587
Energy: 0.8792780039274946
Energy: 1.0433164346829398
Energy: 0.8059606843082465
Energy: 0.8588581240205546
Energy: 0.8643740953725082
Energy: 0.8610224250949655
Energy: 0.8751886512180985
Energy: 1.0412450181906012
Energy: 0.6719996352436985
Energy: 0.8185933795739629
Energy: 0.9007496930178014
Energy: 0.1122073482202007
Energy: 0.8176034258574212
Energy: 1.0459667756844775
Energy: 0.807591487965141
Energy: 0.8850923093921574
Energy: 0.22556029577663803
Energy: 0.8052946405046545
Energy: 0.8620220884843158
Energy: 1.0275634803691565
Energy: 0.8827499426771556
Energy: 0.8763431275542393
Energy: 0.877878538766989
Energy: 0.8833037021415241
Energy: 0.8840457481645289
Energy: 1.0167755936656508
Energy: 0.8569829355004525
Energy: 0.8046202011314599
Energy: 0.749600339260342
Energy: 0.857111131353257
Energy: 0.8090994396780096
Energy: 1.050405898016814
Energy: 0.8506951058320886
Energy: 0.3610580199716171
Energy: 0.34556751910912104
Energy: 0.8875913660582262
Energy: 0.6489296815854775
Energy: 1.0377421986403728
Energy: 0.83536037523875
Energy: 0.8346104393975666
Energy: 0.8221303163440089
Energy: 0.8340832231299985
Energy: 0.8401019015859286
Energy: 1.0058382123793854
Energy: 0.8482842929059597
Energy: 0.8734497004075906
Energy: 0.8624788970502423
Energy: 0.8544474042199427
Energy: 0.87243846022396
Energy: 1.1141945650064273
Energy: 0.8953147720952609
Energy: 0.8846289141044921
Energy: 0.8454149445024878
Energy: 0.8205176096824448
Energy: 0.8863669796445326
Energy: 1.0597235081727714
Energy: 0.9020070526185442
Energy: 0.8492793476870383
Energy: 0.8095976535920728
Energy: -0.9065624222365241
Energy: 0.8489976529266409
Energy: 1.1043738677261168
Energy: 0.740881225432012
Energy: 0.7862143906747442
Energy: 0.7592788333727626
Energy: 0.7114605491481758
Energy: 0.7846142000437573
Energy: 1.0120144710009766
Energy: 0.4306896552820086
Energy: 0.0815331089065744
Energy: 0.7896784400266784
Energy: 0.3778072680077416
Energy: 0.8648841677827036
Energy: 1.0928780137330287
Energy: 0.8810304399139427
Energy: 0.8760339331557425
Energy: 0.8543177604517995
Energy: 0.559254560583472
Energy: 0.8401451386392427
Energy: 1.0552203460421008
Energy: 0.8798199324478049
Energy: 0.8836140537719912
Energy: 0.8246357555003827
Energy: 0.8572763139795857
Energy: 0.8809517963967125
Energy: 1.0794946101079954
Energy: 0.8329272840108423
Energy: 0.8303356165659218
Energy: 0.9143435067906469
Energy: 0.8534884532929384
Energy: 0.8382737533701881
Energy: 1.056256507437318
Energy: 0.8636228541921898
Energy: 0.8635033958558139
Energy: 0.7729275265833373
Energy: 0.8686495520103681
Energy: 0.8679321884404493
Energy: 1.0117899494251186
Energy: 0.8462344393767867
Energy: 0.8633421464416858
Energy: 0.8125836767159241
Energy: 0.8694215485113062
Energy: 0.874281917379699
Energy: 1.0401573348932718
Energy: 0.8318450140736959
Energy: 0.8336249214724508
Energy: 0.41933085811311827
Energy: 0.8692441112536541
Energy: 0.9580253143231411
Energy: 1.0372359621743747
Energy: 0.8590474801252285
Energy: 0.8396960199326265
Energy: 0.5310798434338556
Energy: 0.848222934066974
Energy: 0.8893664280093503
Energy: 0.987181066935043
Energy: 0.3385292023907727
Energy: 0.8441613263497952
Energy: 0.08176180427183709
Energy: 0.7370883277246124
Energy: 0.877914805789949
Energy: 1.0111848847790972
Energy: 0.7990591084036742
Energy: 0.8607049698927054
Energy: 0.4150461687579817
Energy: 0.8997447225405528
Energy: 0.8460367025621929
Energy: 1.0724828756453215
Energy: 0.8434795502036022
Energy: 0.8631213793962386
Energy: 0.8712293007476523
Energy: 0.8480887417343249
Energy: 0.862302964513247
Energy: 1.0573448742409037
Energy: 0.8421287181067296
Energy: 0.862706995673507
Energy: 0.7691841966618743
Energy: 0.8370533258897564
Energy: 0.862336698335657
Energy: 1.0366983075047116
Energy: 0.8546471931068464
Energy: 0.8501414159705979
Energy: 0.8324189366958222
Energy: 0.8608482189828246
Energy: 0.839146035447125
Energy: 1.0446672929449206
Energy: 0.8183997442244378
Energy: 0.8164120991249495
Energy: 0.8802253596749916
Energy: 0.3139489102634661
Energy: 0.8486274131496224
Energy: 1.068180337592219
Energy: 0.522751204463825
Energy: 0.7676221982769846
Energy: 0.923364711702378
Energy: 0.7471320158957542
Energy: 0.8871975920128803

minimum gb energy = -0.9065624222365241 eV
minimum distance =  2.32717319719405 Angstroms
sigma value = 101


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

Energy: 1.6599425442574687
Energy: 0.9695332316632708
Energy: 0.8273912634457622
Energy: 0.8771057368656011
Energy: -0.1938904588327814
Energy: 0.8676287318801278
Energy: 1.0429555021378505
Energy: 0.8451889356135187
Energy: 0.8817666540118055
Energy: 0.8545921570891989
Energy: 0.06476301686305148
Energy: 0.8503409117787334
Energy: 0.987498080953082
Energy: 0.8493206939407041
Energy: 0.8470983802174786
Energy: 0.8426251628409427
Energy: 0.8528777152248948
Energy: 0.8461859522970532
Energy: 0.9842446742603488
Energy: 0.8515835145540662
Energy: 0.8491308849504099
Energy: 0.8471323915173062
Energy: 0.8544501528484143
Energy: 0.8434450874470389
Energy: 1.0135281840040502
Energy: 0.8469771147547189
Energy: 0.8491419473345985
Energy: 0.8522505092847372
Energy: 0.8425386424362787
Energy: 0.823143552182205
Energy: 1.021911723147881
Energy: 0.844848144131645
Energy: 0.8439257719677843
Energy: 0.15236024906677081
Energy: 0.84698477138262
Energy: 0.8436905176070151
Energy: 1.0452110629580833
Energy: 0.8485307345293154
Energy: 0.8447439342600753
Energy: 0.8294736229436309
Energy: 0.8479908758686674
Energy: 0.8420188462725698
Energy: 1.008482282366971
Energy: 0.8509649272424044
Energy: 0.8517660072937017
Energy: 0.06858961064441753
Energy: 0.8544683960911585
Energy: 0.8423287002511546
Energy: 1.007766499867361
Energy: 0.876291821314862
Energy: 0.8843127378014546
Energy: -0.19895233238281607
Energy: 0.8427587715415169
Energy: 0.8587615792857075
Energy: 1.0096740555615014
Energy: 0.8409527417637066
Energy: 0.8404041399072516
Energy: 0.8766186260275893
Energy: 0.8431245741222019
Energy: 0.8403268079370128
Energy: 1.0166889306792422
Energy: 0.8565890006893762
Energy: 0.8519907611849576
Energy: 0.8465831674889378
Energy: 0.8593815761158338
Energy: 0.8494096704030766
Energy: 0.979293023146329
Energy: 0.8559230968898112
Energy: 0.8493419941094993
Energy: 0.8624527352604318
Energy: 0.8504528409698278
Energy: 0.8481019691319089
Energy: 1.0189255161574706
Energy: 0.8665262258494629
Energy: 0.8469589736991641
Energy: 0.8501383135543313
Energy: 0.8454630308667961
Energy: 0.8490784608008958
Energy: 1.0143228517686473
Energy: -0.2760510709153444
Energy: -0.2756529811844012
Energy: 0.8461766586328702
Energy: -0.06988201553853869
Energy: 0.8306093952946219
Energy: 0.9776751122459952
Energy: -0.03609817533957831
Energy: 0.856466089681657
Energy: 0.8499230888836834
Energy: -0.1299601740332473
Energy: 0.8723099910658757
Energy: 0.987627812305792
Energy: 0.8743501666445048
Energy: 0.8421386556797308
Energy: 0.846995479354088
Energy: -0.04034430248572651
Energy: 0.8436936700764911
Energy: 1.0152830477961658
Energy: 0.8111231889748083
Energy: 0.8387723372684769
Energy: 0.8569480770094107
Energy: 0.8145389548358921
Energy: 0.8518663380269976
Energy: 1.0419803368656
Energy: 0.06368022079119556
Energy: 0.06463875264830912
Energy: 0.8584552560003682
Energy: 0.06424358392512339
Energy: 0.8374228149738873
Energy: 0.9884894325149569
Energy: 0.8521026971951807
Energy: 0.8491450521713257
Energy: 0.841922158963071
Energy: 0.8525887622929118
Energy: 0.8461024971582207
Energy: 0.9782978572298251
Energy: 0.851813890862723
Energy: 0.8494689215156689
Energy: 0.8491228082542335
Energy: 0.8528914491895059
Energy: 0.8496345303519409
Energy: 1.0134715389115942
Energy: 0.8454265232618057
Energy: 0.8486256706551079
Energy: 0.8394339848964929
Energy: 0.8459149497421319
Energy: 0.8415858538728593
Energy: 1.0212048226042871
Energy: 0.8454286246769136
Energy: 0.84867539902551
Energy: 0.1531295602649794
Energy: 0.8801768542763778
Energy: 0.8495394110480112
Energy: 0.9972921584960736
Energy: 0.8706551353622914
Energy: 0.8718541390458999
Energy: -0.05733656851979435
Energy: -0.6343986859098496
Energy: 0.8650182852259461
Energy: 0.9722479646504997
Energy: 0.8253531318306394
Energy: -0.6304904656021603
Energy: 0.8336012172795466
Energy: 0.8576205848335531
Energy: -0.386907271256889
Energy: 1.0069523176042658
Energy: 0.8749271690085517
Energy: 0.8720148640665702
Energy: 0.8771239276870191
Energy: 0.8546201824646587
Energy: 0.8721010189109083
Energy: 1.0072954107751328
Energy: 0.8475049043885137
Energy: 0.8759464910683881
Energy: 0.8563436266864853
Energy: 0.8511777357615525
Energy: 0.8748961318213695
Energy: 1.0161332599552468
Energy: 0.8557780277944209
Energy: 0.8545129948973387
Energy: 0.8449056468129649
Energy: 0.8571809307460203
Energy: 0.851217218958163
Energy: 0.9771634898470626
Energy: 0.8581796226652816
Energy: 0.8570055326280865
Energy: 0.8517457448949554
Energy: 0.8590233263620305
Energy: 0.8474667635827428
Energy: 1.0202236225081236
Energy: -0.1662915346066517
Energy: 0.09168906782186526
Energy: 0.8461624105616483
Energy: -0.01422931228325052
Energy: 0.091272528971043
Energy: 1.0215252614438277
Energy: -0.014060832637464887
Energy: 0.8730469755792094
Energy: 0.8474466037182675
Energy: -0.01403522887343777
Energy: 0.09037632634764713
Energy: 0.9766125246364997
Energy: 0.8718214763086125
Energy: 0.8744046044803618
Energy: 0.8503451135957649
Energy: 0.876373989160118
Energy: 0.8746850746443686
Energy: 0.9876796040592464
Energy: 0.8730429691156463
Energy: 0.8716251261705038
Energy: 0.8560252020764502
Energy: 0.875789375734332
Energy: 0.8724417037669167
Energy: 1.0152343652019826
Energy: -0.1263580715395908
Energy: 0.42285277859040205
Energy: 0.8561617599695838
Energy: -0.12656210551412905
Energy: 0.4223652929255168

minimum gb energy = -0.6343986859098496 eV
minimum distance =  2.39309879591375 Angstroms
sigma value = 33


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

Energy: 0.01855258540167484
Energy: 0.019329387067095864
Energy: 0.019408375408389352
Energy: 0.020311009677032695
Energy: 1.0935127826118318
Energy: 0.026249387116681636
Energy: 0.019135125811269044
Energy: 0.10865604274848205
Energy: 0.11061042541283161
Energy: 0.11219755562934963
Energy: 0.11054456630757444
Energy: 0.10801449520967649
Energy: 1.4371495235898732
Energy: 1.084945504918763
Energy: 1.0835302372487632
Energy: 1.087657753418744
Energy: 1.0864810275362482
Energy: 1.0848602633944984
Energy: 0.4581902929131794
Energy: 0.10865604274719805
Energy: 0.11061042541283161
Energy: 0.11219755562895457
Energy: 0.1105445663080189
Energy: 0.10801449520967649

minimum gb energy = 0.01855258540167484 eV
minimum distance =  2.51700086546335 Angstroms
sigma value = 1