Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335459264325
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.231026601178299e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18, -3.2439270308598e-18, -4.8720909698632796e-18]
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: 0.013163957228908662
Energy: 0.013999666810188136
Energy: 1.9505668933036575
Energy: 1.0838208801009603
Energy: 0.013999666810188136
Energy: 0.21825224636307622
Energy: 1.0827899318750356
Energy: 0.21825224636404644
Energy: 1.9505668933046278
Energy: 1.082789931877974
Energy: 1.3123866868700371
Energy: 1.0827899318750356
Energy: 1.08382088009999
Energy: 0.21825224636404644
Energy: 1.0827899318750356
Energy: 0.21825224636307622

minimum gb energy = 0.013163957228908662 eV
minimum distance =  2.43969150167115 Angstroms
sigma value = 1


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

Energy: 2.1029267511555916
Energy: 1.070651792808946
Energy: 1.2311730673324714
Energy: 1.2320702080381922
Energy: 1.9366972017782818
Energy: 0.9457291098009579
Energy: 0.9478082009143264
Energy: 0.9457291098033784
Energy: 1.9418164817785648
Energy: 0.9460456924262264
Energy: 0.94667902382043
Energy: 0.9460456924250161
Energy: 1.946176220411112
Energy: 0.9460056216466693
Energy: 0.9464198977950163
Energy: 0.9460056216454591
Energy: 1.9429032400313635
Energy: 0.9472037642364934
Energy: 1.227839502896262
Energy: 0.9472037642304421
Energy: 1.9452308803657434
Energy: 0.9454031128496084
Energy: 1.2609967738159116
Energy: 0.9454031128520289
Energy: 1.64207645338487
Energy: 0.945648969248287
Energy: 1.2745645118599573
Energy: 0.9456489692507075
Energy: 1.6446803064813427
Energy: 0.945602742614505
Energy: 1.2757461687871157
Energy: 0.9456027426108744
Energy: 1.6285077886867523
Energy: 0.9465789781176177
Energy: 1.2752002957418724
Energy: 0.9465789781164076
Energy: 1.6526693819549187
Energy: 1.0138676219913239
Energy: 1.6483809004912395
Energy: 1.0138676219937444
Energy: 1.5985991503662225
Energy: 0.9458942510505228
Energy: 1.551326115463482
Energy: 0.9458942510541537
Energy: 1.273736642526766
Energy: 0.9458490644682186
Energy: 1.6469034794059347
Energy: 0.945849064465798
Energy: 1.3387752547449343
Energy: 0.9454587862977549
Energy: 1.6427037208652373
Energy: 0.9454587862953344
Energy: 1.2623217396053612
Energy: 0.9462691618124435
Energy: 1.9456917994166885
Energy: 0.9462691618148641
Energy: 1.2621662333671186
Energy: 0.9472939269912083
Energy: 1.7285273392515257
Energy: 0.9472939269899979
Energy: 0.9463404117968088
Energy: 0.9465505712083431
Energy: 1.9419377813281282
Energy: 0.9465505712083431
Energy: 0.9464006026958995
Energy: 0.9461163909598123
Energy: 1.9473864033873702
Energy: 0.9461163909622329
Energy: 0.969042479100389
Energy: 0.9537924314417537
Energy: 1.943829102911241
Energy: 0.9537924314381778
Energy: 0.9462076540175428
Energy: 0.9470828921064435
Energy: 1.8329948151623219
Energy: 0.9470828921064435
Energy: 1.0737877872614776
Energy: 0.9457538398198044
Energy: 1.9441611732620232
Energy: 0.9457538398210147
Energy: 1.0629829339813721
Energy: 0.9462056827983197
Energy: 1.944157664701161
Energy: 0.9462056827971094
Energy: 1.0630681106811701
Energy: 0.946159028886075
Energy: 1.841662909666924
Energy: 0.9461590288872853
Energy: 1.0730514362380026
Energy: 0.9471566897838668
Energy: 1.6429211805999524
Energy: 0.9471566897838668
Energy: 1.4667496881528925
Energy: 0.946128637278885
Energy: 1.8378305292083943
Energy: 0.9461286372813055
Energy: 1.461171995607733
Energy: 1.1109671369029845
Energy: 1.8348424991426533
Energy: 1.1109671368981433
Energy: 1.460330310081976
Energy: 1.014999237667182
Energy: 1.4618702005387605
Energy: 1.0149992376696024
Energy: 1.4647900801063123
Energy: 1.0145296285343888
Energy: 1.4616488437365205
Energy: 1.0145296285343888
Energy: 1.837106732596749
Energy: 0.946156918208591
Energy: 1.4611554819435564
Energy: 0.946156918208591
Energy: 1.729481143608748
Energy: 0.9462302488208353
Energy: 1.4646408390148757
Energy: 0.9462302488220455
Energy: 1.7289307417944066
Energy: 0.9459857971923685
Energy: 1.0627697744286553
Energy: 0.9459857971887378
Energy: 1.8375678264892412
Energy: 0.9460535590360785
Energy: 1.0735566230802547
Energy: 0.9460535590372888
Energy: 1.9413968249448217
Energy: 0.9464305021506566
Energy: 1.0494194579463283
Energy: 0.9464305021518667
Energy: 1.9423698282399822
Energy: 0.9466322676985004
Energy: 1.0510181366708002
Energy: 0.94663226769729

minimum gb energy = 0.9454031128496084 eV
minimum distance =  2.37165317655549 Angstroms
sigma value = 1


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

Energy: 2.3328138307899553
Energy: 1.1631469068638134
Energy: 0.9891226571663208
Energy: 0.9879264374058686
Energy: 1.8653820963675014
Energy: 0.9886597042399177
Energy: 0.9883181403964213
Energy: 0.9886597042399177
Energy: 1.8826041760904095
Energy: 0.9879196573357254
Energy: 0.9871214759155383
Energy: 0.9879196573357254
Energy: 1.8843156837073365
Energy: 0.9881638216940865
Energy: 0.9885401835124127
Energy: 0.9881638216940865
Energy: 1.966559944198219
Energy: 0.989243678568186
Energy: 1.0273890829351318
Energy: 0.989243678568186
Energy: 1.884460390463973
Energy: 0.9889222822054574
Energy: 1.231496499272304
Energy: 0.9889222822054574
Energy: 1.6750361428714406
Energy: 0.9890109270094519
Energy: 1.2349958227320719
Energy: 0.989010927008072
Energy: 1.6759569147244635
Energy: 1.0714625658780361
Energy: 1.2491222174625718
Energy: 1.0714625658780361
Energy: 1.6650344911088006
Energy: 0.988252980606857
Energy: 1.2482491014546464
Energy: 0.988252980606857
Energy: 1.6751585939027058
Energy: 1.0712982706468
Energy: 1.6634787677061047
Energy: 1.0712982706481797
Energy: 1.5273714817285358
Energy: 0.988297710826784
Energy: 1.4490959359884106
Energy: 0.9882977108254354
Energy: 1.234099355181745
Energy: 0.9908247198540642
Energy: 1.451456457573842
Energy: 0.9908247198526843
Energy: 1.2945081300177186
Energy: 1.0713417795156086
Energy: 1.665043029682826
Energy: 1.0713417795169888
Energy: 1.2182237485982703
Energy: 0.9878863549842465
Energy: 1.8844624585142313
Energy: 0.9878863549842465
Energy: 1.218265040749083
Energy: 0.9885008305688058
Energy: 1.8657593686016571
Energy: 0.9885008305674261
Energy: 0.9884734784461124
Energy: 0.9884881568335449
Energy: 1.8649630564665243
Energy: 0.9884881568349247
Energy: 0.9874928945545702
Energy: 0.9880372812088
Energy: 1.8828935901153792
Energy: 0.9880372812074201
Energy: 0.9873256497383848
Energy: 0.9880459525527296
Energy: 1.8840880320479831
Energy: 0.9880459525513497
Energy: 0.988459614599423
Energy: 0.9888915307374457
Energy: 1.66133127329319
Energy: 0.9888915307360657
Energy: 1.2322311677235822
Energy: 0.9882663931097285
Energy: 1.8844659472629457
Energy: 0.9882663931083486
Energy: 1.2339030625453082
Energy: 0.9874437013154499
Energy: 1.8826652081117707
Energy: 0.9874437013154499
Energy: 1.2488439104756368
Energy: 1.0707803867403496
Energy: 1.6754154744083452
Energy: 1.0707803867389698
Energy: 1.248304030296803
Energy: 0.9884389261064643
Energy: 1.6659560180796598
Energy: 0.9884389261064643
Energy: 1.6640110728187103
Energy: 1.0716825716717626
Energy: 1.6758759038289752
Energy: 1.0716825716703828
Energy: 1.4493328535577747
Energy: 0.9885916369960764
Energy: 1.6761916491341793
Energy: 0.9885916369974562
Energy: 1.4491714292583853
Energy: 0.9897738574047936
Energy: 1.2192080854156102
Energy: 0.9897738574061735
Energy: 1.6656902790716357
Energy: 1.0716174171469681
Energy: 1.2933195530387915
Energy: 1.0716174171469681
Energy: 1.8840413160515364
Energy: 0.987600561593749
Energy: 1.2193023082611536
Energy: 0.987600561593749
Energy: 1.8665253308516407
Energy: 0.9886739825300249
Energy: 1.2190364327204577
Energy: 0.9886739825300249

minimum gb energy = 0.9871214759155383 eV
minimum distance =  2.3815837490294 Angstroms
sigma value = 25


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

Energy: 2.222371753918895
Energy: 1.1760723022539565
Energy: 1.5293382072923416
Energy: 1.060865343154052
Energy: 1.7850347391896673
Energy: 1.095679719335843
Energy: 1.060301808625563
Energy: 1.095679719335843
Energy: 1.8013265113784835
Energy: 1.0609861191134076
Energy: 1.0593731254575778
Energy: 1.0609861191134076
Energy: 1.8023581670259792
Energy: 1.0608039431469054
Energy: 1.0605320481403455
Energy: 1.0608039431485097
Energy: 2.006548944373167
Energy: 1.0609187555866253
Energy: 1.5048511576226569
Energy: 1.060918755585021
Energy: 1.8021646416538415
Energy: 1.086692771290431
Energy: 1.4378833944261484
Energy: 1.086692771288827
Energy: 1.80263191385316
Energy: 1.1519108115626262
Energy: 1.4709696329400699
Energy: 1.1519108115642303
Energy: 1.465671385078296
Energy: 1.1525184397788804
Energy: 1.4703055678832893
Energy: 1.1525184397788804
Energy: 1.470781661047911
Energy: 1.1522100821457824
Energy: 1.4661907091992772
Energy: 1.1522100821457824
Energy: 1.4434801016216852
Energy: 1.060299720336814
Energy: 1.8028058146620718
Energy: 1.060299720336814
Energy: 1.4133579739079842
Energy: 1.060769165510167
Energy: 1.8060573558056494
Energy: 1.060769165510167
Energy: 1.0601713140825975
Energy: 1.0601510890997274
Energy: 1.8053677499791447
Energy: 1.0601510890997274
Energy: 1.0592156050624955
Energy: 1.0608356822962683
Energy: 1.8008113263731673
Energy: 1.060835682294664
Energy: 1.0950665664462977
Energy: 1.0606800370993688
Energy: 1.8023174568120255
Energy: 1.0606800370993688
Energy: 1.0622542463925135
Energy: 1.0608989568393905
Energy: 1.691038699776195
Energy: 1.0608989568393905
Energy: 1.1890320804725876
Energy: 1.0606578106711895
Energy: 1.79899572830606
Energy: 1.0606578106711895
Energy: 1.2154984107843048
Energy: 1.0601621561366295
Energy: 1.802497829860102
Energy: 1.0601621561366295
Energy: 1.21613566812863
Energy: 1.0602538475042198
Energy: 1.6892081060858632
Energy: 1.0602538475026158
Energy: 1.249762859493047
Energy: 1.0613915383925359
Energy: 1.6028713710611773
Energy: 1.0613915383925359
Energy: 1.689020482831104
Energy: 1.154478880001519
Energy: 1.6896800655912156
Energy: 1.1544788799983474
Energy: 1.5680044216554476
Energy: 1.0602600006983605
Energy: 1.6895253942832344
Energy: 1.0602600006983605
Energy: 1.5766210676077588
Energy: 1.060701541347121
Energy: 1.2175889043337036
Energy: 1.0607015413487253
Energy: 1.6900703671294215
Energy: 1.060403786089749
Energy: 1.2368390384531254
Energy: 1.060403786089749
Energy: 1.8027442933110662
Energy: 1.0605147715272678
Energy: 1.2744628530513051
Energy: 1.0605147715256635
Energy: 1.803836532703567
Energy: 1.060932423423786
Energy: 1.1898088274066003
Energy: 1.0609324234253903

minimum gb energy = 1.0592156050624955 eV
minimum distance =  2.36796629929824 Angstroms
sigma value = 9


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

Energy: 1.9954545034537576
Energy: 1.2807233036717145
Energy: 1.1066132889481106
Energy: 1.1068442518874197
Energy: 1.6644379316610844
Energy: 1.1921676179043594
Energy: 1.1090972129633856
Energy: 1.1921676179043594
Energy: 1.6952023982561304
Energy: 1.1066801287454806
Energy: 1.104836486191577
Energy: 1.1066801287445236
Energy: 1.695713859981913
Energy: 1.192878902671374
Energy: 1.106613444890251
Energy: 1.1928789026677427
Energy: 1.5403561566022173
Energy: 1.1104097764207939
Energy: 1.1076763353605856
Energy: 1.1104097764207939
Energy: 1.695881102333222
Energy: 1.1065501300228409
Energy: 1.3867152218612837
Energy: 1.1065501300190137
Energy: 1.6955895803978407
Energy: 1.2330837881473016
Energy: 1.0898195036248028
Energy: 1.2330837881478889
Energy: 1.4875014277349727
Energy: 1.2306630834445245
Energy: 1.4245298182715123
Energy: 1.2306630834410888
Energy: 1.4284092451901043
Energy: 1.2328790192616887
Energy: 1.4282875187875907
Energy: 1.2328790192614931
Energy: 1.3877544455163808
Energy: 1.109038695683814
Energy: 1.6960839815604465
Energy: 1.1090386956836402
Energy: 1.2038042634507344
Energy: 1.1094967654656778
Energy: 1.6645540599831128
Energy: 1.1094967654660473
Energy: 1.10427299741319
Energy: 1.105971585539804
Energy: 1.6648371773623816
Energy: 1.105971585541522
Energy: 1.1059891138570557
Energy: 1.1068163250866667
Energy: 1.694999725759149
Energy: 1.1068163250885803
Energy: 1.1058403577323173
Energy: 1.1067076582658053
Energy: 1.6956981101832727
Energy: 1.1067076582646527
Energy: 1.1088693568308412
Energy: 1.1095904081044614
Energy: 1.5405263628307346
Energy: 1.1095904081050265
Energy: 1.386473868409283
Energy: 1.3481951888516734
Energy: 1.6961220675323865
Energy: 1.348195188851869
Energy: 1.0900204819327755
Energy: 1.2325837558707702
Energy: 1.6951659671229233
Energy: 1.2325837558707702
Energy: 1.0901247906793736
Energy: 1.229665552916695
Energy: 1.4865941833519765
Energy: 1.2296655529103888
Energy: 1.427959880292403
Energy: 1.2332424876978514
Energy: 1.5501022149070738
Energy: 1.2332424876982209
Energy: 1.6959972996316404
Energy: 1.2304331512081723
Energy: 1.4870357652651263
Energy: 1.230433151205302
Energy: 1.6649398777946909
Energy: 1.1093118304922502
Energy: 1.385572487696892
Energy: 1.1093118304922502

minimum gb energy = 1.0898195036248028 eV
minimum distance =  2.38514313840932 Angstroms
sigma value = 25


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

Energy: 1.7703644504363298
Energy: 1.2696196992672932
Energy: 1.2187465046458652
Energy: 1.2185543452592558
Energy: 1.5106521657854515
Energy: 1.23775789019154
Energy: 1.2366878857929506
Energy: 1.2377578901908408
Energy: 1.575395514334171
Energy: 1.2185783407621178
Energy: 1.2177339729684922
Energy: 1.218578340761876
Energy: 1.5845606779714803
Energy: 1.223328057122898
Energy: 1.2221817518638045
Energy: 1.2233280571226828
Energy: 1.490555977063024
Energy: 1.2183161456296854
Energy: 1.526674078531781
Energy: 1.2183161456306266
Energy: 1.5760906422086252
Energy: 1.2196313851124105
Energy: 1.5762859100118316
Energy: 1.219631385111469
Energy: 1.5246456545306835
Energy: 1.2211561897220837
Energy: 1.6349444426960449
Energy: 1.221156189722541
Energy: 1.2233754235925813
Energy: 1.2243260099243827
Energy: 1.6324493063278758
Energy: 1.2243260099253508
Energy: 1.2229779433221823
Energy: 1.219152001050196
Energy: 1.5748931969093505
Energy: 1.2191520010518633
Energy: 1.2402614844350595
Energy: 1.2190924987475296
Energy: 1.5849394696693153
Energy: 1.2190924987482288
Energy: 1.2213518695560446
Energy: 1.2195670119675774
Energy: 1.5847710088003475
Energy: 1.2195670119663944
Energy: 1.4288673888030576
Energy: 1.2374549587877455
Energy: 1.5846806927459771
Energy: 1.2374549587872612
Energy: 1.4386044936646716
Energy: 1.2200079760528604
Energy: 1.585593993163645
Energy: 1.2200079760519191
Energy: 1.4383678763009087
Energy: 1.3146532204656136
Energy: 1.442137818982385
Energy: 1.3146532204653716
Energy: 1.4534871682099024
Energy: 1.2177629698036925
Energy: 1.4953308358067983
Energy: 1.2177629698025092
Energy: 1.5249944453063748
Energy: 1.3147715016870232
Energy: 1.4536142008160977
Energy: 1.314771501686082
Energy: 1.5105240039651522
Energy: 1.2182247218477846
Energy: 1.3774769468682821
Energy: 1.2182247218473006

minimum gb energy = 1.2177339729684922 eV
minimum distance =  2.35473183681439 Angstroms
sigma value = 17


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

Energy: 2.3893450239622016
Energy: 1.264209389785983
Energy: 1.2579616600724794
Energy: 1.2561570038827055
Energy: 1.4793213103690983
Energy: 1.2567200450179772
Energy: 1.4336920866614533
Energy: 1.2567200450193174
Energy: 1.5186166987818386
Energy: 1.2584973177858074
Energy: 1.2573089050034851
Energy: 1.258497317788488
Energy: 1.5064782306599631
Energy: 1.2514170070280601
Energy: 1.250732748126493
Energy: 1.2514170070294004
Energy: 1.5051079294368788
Energy: 1.3412651198180991
Energy: 1.4874967281133036
Energy: 1.3412651198180991
Energy: 1.5164425484523203
Energy: 1.3217702916070329
Energy: 1.4926493095977236
Energy: 1.3217702916083731
Energy: 1.4140115874736883
Energy: 1.25177715607608
Energy: 1.4950373868437203
Energy: 1.2517771560733992
Energy: 1.3105340206269913
Energy: 1.3237205010873583
Energy: 1.4994814479429597
Energy: 1.3237205010860178
Energy: 1.2729014941490973
Energy: 1.2513367202289272
Energy: 1.4855631437835306
Energy: 1.2513367202275871
Energy: 1.2602136548342002
Energy: 1.2511708649951647
Energy: 1.4931182178165108
Energy: 1.2511708649938245
Energy: 1.296113143461998
Energy: 1.3665293564927827
Energy: 1.5015978546011297
Energy: 1.3665293564914425
Energy: 1.4960534828677887
Energy: 1.2534860477528496
Energy: 1.4921004834643545
Energy: 1.2534860477541898
Energy: 1.4976334639901197
Energy: 1.2618014243518991
Energy: 1.4955936407576091
Energy: 1.2618014243532394
Energy: 1.4975672536860165
Energy: 1.252988845817216
Energy: 1.2597737730601097
Energy: 1.2529888458185563
Energy: 1.48578914184857
Energy: 1.251197076635489
Energy: 1.259955765821464
Energy: 1.251197076635489
Energy: 1.4857036025321948
Energy: 1.2510603264127933
Energy: 1.2880649343216866
Energy: 1.2510603264141336
Energy: 1.5136227812928438
Energy: 1.2496503501529903
Energy: 1.2580034973958019
Energy: 1.2496503501556708
Energy: 1.5004059772497103
Energy: 1.2744342830775097
Energy: 1.445366668233848
Energy: 1.2744342830815307
Energy: 1.486104118058171
Energy: 1.332591640503125
Energy: 1.4996272083801816
Energy: 1.3325916405058054
Energy: 1.278666127195158
Energy: 1.3419704764581235
Energy: 1.5772397500899153
Energy: 1.3419704764581235
Energy: 1.2500857280961681
Energy: 1.2586307644584953
Energy: 1.4987849956173396
Energy: 1.2586307644584953
Energy: 1.2763329868117796
Energy: 1.258460620788413
Energy: 1.5171254390579836
Energy: 1.2584606207870728
Energy: 1.3239984228104518
Energy: 1.3061761538013128
Energy: 1.4927718723440209
Energy: 1.3061761537999723
Energy: 1.3285525024781977
Energy: 1.2610197494275945
Energy: 1.5124922616109362
Energy: 1.2610197494289348
Energy: 1.3950952974127417
Energy: 1.33710137381208
Energy: 1.5003676457216923
Energy: 1.3371013738147608
Energy: 1.3821199041211034
Energy: 1.2572121806577548
Energy: 1.532231692120715
Energy: 1.2572121806590952
Energy: 1.3962838770940595
Energy: 1.336560584772861
Energy: 1.3864596762168278
Energy: 1.3365605847701805
Energy: 1.5169454721609354
Energy: 1.2564860452722861
Energy: 1.3830350946091674
Energy: 1.2564860452749667
Energy: 1.5179610724605166
Energy: 1.2569126883514161
Energy: 1.5268771404671402
Energy: 1.2569126883500759
Energy: 1.5206792147169872
Energy: 1.2608312741001035
Energy: 1.3300527971011595
Energy: 1.2608312741001035

minimum gb energy = 1.2496503501529903 eV
minimum distance =  2.34655380264734 Angstroms
sigma value = 53


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

Energy: 1.1549525776252298
Energy: 1.1689167431541312
Energy: 1.1984693870829197
Energy: 1.7065748912603822
Energy: 1.15851957717733
Energy: 1.1871009954436362
Energy: 1.2924816203884688
Energy: 1.1871009954433207
Energy: 1.4398713559203506
Energy: 1.2012921686758309
Energy: 1.1999961067503262
Energy: 1.2012921686749194
Energy: 1.4422416741971942
Energy: 1.210507265424775
Energy: 1.2939390740003682
Energy: 1.210507265419235
Energy: 1.1959528229465521
Energy: 1.1869325694578134
Energy: 1.2934374814684337
Energy: 1.1869325694565862
Energy: 1.4416573464108513
Energy: 1.1850591155864239
Energy: 1.2938039152925596
Energy: 1.1850591155864239
Energy: 1.2931560166508504
Energy: 1.2049435473610237
Energy: 1.159330374932278
Energy: 1.2049435473613042
Energy: 1.2945967186184737
Energy: 1.1892516189857638
Energy: 1.1600074910346234
Energy: 1.1892516189854483
Energy: 1.2893911426323217
Energy: 1.1892652753259587
Energy: 1.2933608097991305
Energy: 1.1892652753259587
Energy: 1.2907133808184805
Energy: 1.1849789763500322
Energy: 1.44238778684582
Energy: 1.1849789763494012
Energy: 1.2884470140367854
Energy: 1.1863596463044952
Energy: 1.1955730174482666
Energy: 1.186359646310351
Energy: 1.2938227251449181
Energy: 1.1869100501453187
Energy: 1.4418811928358246
Energy: 1.1869100501524015
Energy: 1.1599447080745473
Energy: 1.201934687133194
Energy: 1.292160600854853
Energy: 1.2019346871295122

minimum gb energy = 1.1549525776252298 eV
minimum distance =  2.34974436336714 Angstroms
sigma value = 9


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

Energy: 1.863703030464231
Energy: 1.4192687878069739
Energy: 1.8620836106150924
Energy: 1.4230392967707932
Energy: 1.5611340637917315
Energy: 1.3738979217302643
Energy: 1.5343189634573016
Energy: 1.3738979217348322
Energy: 1.3747779672482918
Energy: 1.3637054298378217
Energy: 1.3743685402948544
Energy: 1.3637054298366798
Energy: 1.3732852366791368
Energy: 1.3634856580165386
Energy: 1.3713631796262544
Energy: 1.3634856580142545
Energy: 1.3686564842672324
Energy: 1.3629132646949016
Energy: 1.3756026411769435
Energy: 1.3629132646971855
Energy: 1.51264226027201
Energy: 1.3723833861784374
Energy: 1.4620706495546618
Energy: 1.3723833861784374
Energy: 1.5534077780454232
Energy: 1.5034194361938513
Energy: 1.6452355895313233
Energy: 1.5034194361938513
Energy: 1.5940437613687763
Energy: 1.372221217120228
Energy: 1.6446565590452389
Energy: 1.372221217117944
Energy: 1.5513544790483371
Energy: 1.313042294970972
Energy: 1.4631555225970772
Energy: 1.31304229496983
Energy: 1.4253740031101974
Energy: 1.4139518734882397
Energy: 1.3109114399425859
Energy: 1.4139518734928078
Energy: 1.5808422844391627
Energy: 1.3115670864251052
Energy: 1.3088800809237842
Energy: 1.3115670864285314
Energy: 1.5809933548097055
Energy: 1.3871421681043057
Energy: 1.3842317752004771
Energy: 1.3871421681020217
Energy: 1.6460530550603258
Energy: 1.4382013174791966
Energy: 1.4379037211158652
Energy: 1.4382013174826225
Energy: 1.6476896292199317
Energy: 1.39345022541247
Energy: 1.5636392318677284
Energy: 1.393450225417038
Energy: 1.5808450659992421
Energy: 1.3889465253197084
Energy: 1.6698340186894534
Energy: 1.3889465253162823
Energy: 1.4614083237595255
Energy: 1.4417321638053886
Energy: 1.6538964964958764
Energy: 1.4417321637985365
Energy: 1.323300727602637
Energy: 1.324011284293258
Energy: 1.6548139543421698
Energy: 1.3240112842909741
Energy: 1.3519940789891702
Energy: 1.3958056636907727
Energy: 1.5938830177350374
Energy: 1.3958056636862048
Energy: 1.3663972572560104
Energy: 1.3978353976031381
Energy: 1.6503632358083082
Energy: 1.39783539760428
Energy: 1.361511847757977
Energy: 1.4507219693181523
Energy: 1.6523632224341962
Energy: 1.4507219693135842
Energy: 1.5689479082462714
Energy: 1.37972362135591
Energy: 1.6110149900578288
Energy: 1.3797236213593362
Energy: 1.6419733733598338
Energy: 1.37274509817874
Energy: 1.5691059503504514
Energy: 1.3727450981753138
Energy: 1.6425623344363964
Energy: 1.3669220338736194
Energy: 1.3633490544193836
Energy: 1.3669220338724775
Energy: 1.6219043910329574
Energy: 1.3810086423015795
Energy: 1.368524582238035
Energy: 1.3810086422992955
Energy: 1.6829897570110948
Energy: 1.3878096187517788
Energy: 1.3224447596734124
Energy: 1.3878096187574889
Energy: 1.5407183722813966
Energy: 1.4445632995522635
Energy: 1.3247641386694191
Energy: 1.4445632995488373
Energy: 1.657789836199534
Energy: 1.324456680396033
Energy: 1.5822043119040734
Energy: 1.3244566803903228
Energy: 1.665194315352324
Energy: 1.4161273387065776
Energy: 1.5650846514486307
Energy: 1.4161273387042934
Energy: 1.3927310907203243
Energy: 1.4422433214351411
Energy: 1.639855620909089
Energy: 1.442243321438567
Energy: 1.436092316865681
Energy: 1.3862137693773973
Energy: 1.5797038234691434
Energy: 1.3862137693785392
Energy: 1.3109653594770763
Energy: 1.3720379405090064
Energy: 1.5645418894109446
Energy: 1.3720379405124326
Energy: 1.3116230125000494
Energy: 1.312264347207635
Energy: 1.5583902478231197
Energy: 1.312264347208777
Energy: 1.423234968017728
Energy: 1.4148990386722213
Energy: 1.5417889399743139
Energy: 1.4148990386722213
Energy: 1.4626675715384778
Energy: 1.3717697422220745
Energy: 1.6326610181884007
Energy: 1.3717697422197903
Energy: 1.6398587775920042
Energy: 1.5217885679362047
Energy: 1.4846855046246261
Energy: 1.5217885679384888

minimum gb energy = 1.3088800809237842 eV
minimum distance =  2.29619091434123 Angstroms
sigma value = 73


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

Energy: 1.8979176564678883
Energy: 1.4548443923558978
Energy: 1.4726361541366055
Energy: 1.4707541680935683
Energy: 1.6519398049253986
Energy: 1.4422346254828202
Energy: 1.5238669834455245
Energy: 1.4422346254817289
Energy: 1.4144166497736803
Energy: 1.391498092630852
Energy: 1.4425542093317354
Energy: 1.3914980926310374
Energy: 1.4130860058147217
Energy: 1.3909514881761469
Energy: 1.4118129822084786
Energy: 1.3909514881765173
Energy: 1.4084026438881863
Energy: 1.3900368646906673
Energy: 1.443620973046518
Energy: 1.390036864690132
Energy: 1.5216930476828843
Energy: 1.3933323249290106
Energy: 1.5383651264272233
Energy: 1.3933323249310081
Energy: 1.5241741627071748
Energy: 1.531478415492684
Energy: 1.7441212848503986
Energy: 1.5314784154914076
Energy: 1.6786714094765256
Energy: 1.4449698726330138
Energy: 1.7436431657969522
Energy: 1.444969872635011
Energy: 1.6677523953574165
Energy: 1.3257032032334501
Energy: 1.5175046246910318
Energy: 1.325703203223505
Energy: 1.4910317014423229
Energy: 1.4067227038277343
Energy: 1.3259639670889918
Energy: 1.406722703827549
Energy: 1.66742798663445
Energy: 1.325724375811693
Energy: 1.3213093950925245
Energy: 1.3257243758124138
Energy: 1.6250577762494975
Energy: 1.42458810621638
Energy: 1.3810387449332873
Energy: 1.4245881062129417
Energy: 1.6532309132508416
Energy: 1.3814589884280584
Energy: 1.3809331677615853
Energy: 1.3814589884271524
Energy: 1.653307947461316
Energy: 1.3818610254420802
Energy: 1.6501427907584219
Energy: 1.381861025441895
Energy: 1.6776138487587713
Energy: 1.4527524475777853
Energy: 1.650658730664683
Energy: 1.4527524475768796
Energy: 1.6443427474288155
Energy: 1.3817649875240623
Energy: 1.810964429607639
Energy: 1.3817649875237124
Energy: 1.3813685186826052
Energy: 1.383106531420207
Energy: 1.8098660105475268
Energy: 1.3831065314205573
Energy: 1.3640515387668062
Energy: 1.4276185528133278
Energy: 1.6449418071911814
Energy: 1.4276185528131422
Energy: 1.323219218710218
Energy: 1.3264597133980645
Energy: 1.6817090827015855
Energy: 1.3264597133993408
Energy: 1.3271163660744902
Energy: 1.406775032825616
Energy: 1.6643478050633966
Energy: 1.406775032825616
Energy: 1.5177479508596148
Energy: 1.3251555179219634
Energy: 1.6965098756337136
Energy: 1.3251555179227046
Energy: 1.8021964856357942
Energy: 1.4463710584805118
Energy: 1.5726916477223976
Energy: 1.4463710584803262

minimum gb energy = 1.3213093950925245 eV
minimum distance =  2.32532112482525 Angstroms
sigma value = 7


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

Energy: 2.54777208384134
Energy: 1.5011206970669104
Energy: 1.6075301960098558
Energy: 1.608547003078437
Energy: 1.6299201412418576
Energy: 1.4325218153496433
Energy: 1.517557615873296
Energy: 1.4325218153483619
Energy: 1.4603882784731688
Energy: 1.408699265753207
Energy: 1.4589112563675932
Energy: 1.408699265753207
Energy: 1.4595391380124116
Energy: 1.4184728293300974
Energy: 1.453720143905025
Energy: 1.4184728293288167
Energy: 1.4567851556603406
Energy: 1.4173248817028825
Energy: 1.4775448386834142
Energy: 1.4173248817028825
Energy: 1.5292377492849334
Energy: 1.4064574944007393
Energy: 1.5512345198846489
Energy: 1.4064574944020205
Energy: 1.531664762696933
Energy: 1.5390127707911052
Energy: 1.771751158047041
Energy: 1.5390127707911052
Energy: 1.6064217338797364
Energy: 1.4385567625994744
Energy: 1.7713511333024672
Energy: 1.4385567626020372
Energy: 1.5723224164789615
Energy: 1.420799207116804
Energy: 1.5506632976815187
Energy: 1.4207992071180853
Energy: 1.6658053853906203
Energy: 1.4779565089254512
Energy: 1.3899448512516477
Energy: 1.4779565089228888
Energy: 1.571247583136985
Energy: 1.4065910927395608
Energy: 1.388864927430898
Energy: 1.406591092740842
Energy: 1.6179082174463573
Energy: 1.4304539620297227
Energy: 1.4178306074546925
Energy: 1.4304539620297227
Energy: 1.7407253895891155
Energy: 1.4200528209308905
Energy: 1.4179526286275013
Energy: 1.4200528209321714
Energy: 1.7380188759775057
Energy: 1.4486649191614853
Energy: 1.668305218429496
Energy: 1.4486649191627663
Energy: 1.6698071986106804
Energy: 1.4730558526981483
Energy: 1.814888430793195
Energy: 1.4730558526994295
Energy: 1.649391773647265
Energy: 1.3765946729132794
Energy: 1.7319195480116696
Energy: 1.3765946729132794
Energy: 1.4888257581279711
Energy: 1.3731016216913274
Energy: 1.7311358224032707
Energy: 1.3731016216900462
Energy: 1.50892684078427
Energy: 1.4503576131627907
Energy: 1.5832063186485579
Energy: 1.4503576131640719
Energy: 1.5193080567083492
Energy: 1.4371547646550413
Energy: 1.5025519849290199
Energy: 1.4371547646550413
Energy: 1.51774876583176
Energy: 1.4492405717928751
Energy: 1.5029232208171828
Energy: 1.4492405717928751
Energy: 1.469647880821239
Energy: 1.3505249348835644
Energy: 1.5377686700801851
Energy: 1.3505249348822832
Energy: 1.7703607346817296
Energy: 1.5412303388606736
Energy: 1.540048711822652
Energy: 1.5412303388593922
Energy: 1.7709271062904437
Energy: 1.5412499113235245
Energy: 1.696100030940782
Energy: 1.5412499113235245
Energy: 1.479595006195723
Energy: 1.351312931281195
Energy: 1.6817096752105487
Energy: 1.351312931281195
Energy: 1.4870396140913194
Energy: 1.454076121539907
Energy: 1.6651808497966731
Energy: 1.4540761215450315
Energy: 1.3769796218698542
Energy: 1.3519121487572436
Energy: 1.661962263559308
Energy: 1.3519121487585248
Energy: 1.406437073308307
Energy: 1.4745032638847562
Energy: 1.6219525068368845
Energy: 1.4745032638860374
Energy: 1.3710816740454972
Energy: 1.370639577983349
Energy: 1.6960695056003554
Energy: 1.3706395779807865
Energy: 1.3718786940788763
Energy: 1.4523080203385437
Energy: 1.7298873796095269
Energy: 1.4523080203359813
Energy: 1.5592824488314851
Energy: 1.4389260681904965
Energy: 1.7361514208887285
Energy: 1.4389260681879343
Energy: 1.6321969081527634
Energy: 1.4317247439879424
Energy: 1.7891069582961627
Energy: 1.4317247439892233

minimum gb energy = 1.3505249348822832 eV
minimum distance =  2.30920867141219 Angstroms
sigma value = 29


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

Energy: 1.757836027739843
Energy: 1.365763184949576
Energy: 1.5248859210066275
Energy: 1.7801734097721467
Energy: 1.5738014273169973
Energy: 1.3225952252942985
Energy: 1.5143861986747977
Energy: 1.3225952252942985
Energy: 1.4860753348250446
Energy: 1.321344070599086
Energy: 1.4206689688145069
Energy: 1.3213440705986397
Energy: 1.4229044306095704
Energy: 1.3201108216399824
Energy: 1.2182851271170687
Energy: 1.320110821638222
Energy: 1.4199269850441452
Energy: 1.3235246972915948
Energy: 1.426623902200914
Energy: 1.3235246972924626
Energy: 1.4164469229536027
Energy: 1.3197552558672698
Energy: 1.4214168116688504
Energy: 1.3197552558676913
Energy: 1.5178249785374722
Energy: 1.4191965884407867
Energy: 1.4023064181492253
Energy: 1.4191965884398943
Energy: 1.5162838048726945
Energy: 1.3231923190331847
Energy: 1.4836866346636381
Energy: 1.3231923190331847
Energy: 1.5747307460345275
Energy: 1.3228503480404323
Energy: 1.538286922651055
Energy: 1.3228503480404323

minimum gb energy = 1.2182851271170687 eV
minimum distance =  2.37506958571528 Angstroms
sigma value = 5


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

Energy: 1.7679187247657608
Energy: 1.682697191733392
Energy: 1.7194622046029129
Energy: 1.8605893229096948
Energy: 1.3182176547220466
Energy: 1.3068066840306898
Energy: 1.6554328737479134
Energy: 1.3068066840294796
Energy: 1.3030347416870394
Energy: 1.3058842927360133
Energy: 1.649201119154107
Energy: 1.3058842927335925
Energy: 1.3007141521078516
Energy: 1.3079014369508744
Energy: 1.5749940492810843
Energy: 1.307901436949664
Energy: 1.302997612587435
Energy: 1.3088052020239678
Energy: 1.5427944878642983
Energy: 1.3088052020288088
Energy: 1.3354958928243652
Energy: 1.342642518235566
Energy: 1.5143707986998725
Energy: 1.3426425182391966
Energy: 1.3365335195689938
Energy: 1.3446177964485546
Energy: 1.5133494572789943
Energy: 1.3446177964727597
Energy: 1.3398761255702463
Energy: 1.340078943330889
Energy: 1.510219851565319
Energy: 1.3400789433320992
Energy: 1.4050750804687162
Energy: 1.3423482314118835
Energy: 1.5242750282048763
Energy: 1.3423482314118835
Energy: 1.6427168592697667
Energy: 1.4865871884785198
Energy: 1.6185718913907101
Energy: 1.4865871884797301
Energy: 1.3391415960890478
Energy: 1.3647745978561865
Energy: 1.5394254403263818
Energy: 1.3647745978537658
Energy: 1.5406349923826212
Energy: 1.340329340824583
Energy: 1.71353848727884
Energy: 1.3403293408257935
Energy: 1.5309789059325338
Energy: 1.4656466377320347
Energy: 1.7138868607083624
Energy: 1.465646637728404
Energy: 1.4781045918923776
Energy: 1.3613835253148203
Energy: 1.339485490475248
Energy: 1.36138352531361
Energy: 1.5126528860284736
Energy: 1.342048118114369
Energy: 1.3391890077102158
Energy: 1.3420481181119486
Energy: 1.512689166405497
Energy: 1.3406593729046348
Energy: 1.3396324638112251
Energy: 1.3406593729058451
Energy: 1.4151173948015336
Energy: 1.3432221913718794
Energy: 1.3418173245553753
Energy: 1.3432221913730897
Energy: 1.6483230598169238
Energy: 1.3059282484762897
Energy: 1.2983090915473916
Energy: 1.3059282484762897
Energy: 1.6503209067818119
Energy: 1.3102067155273385
Energy: 1.3025642960269295
Energy: 1.3102067155273385
Energy: 1.6653791568904053
Energy: 1.3071552207767054
Energy: 1.303046923945108
Energy: 1.3071552207779156
Energy: 1.655456065907403
Energy: 1.4219096397905469
Energy: 1.5512192834252008
Energy: 1.4219096397917572
Energy: 1.6774083631259342
Energy: 1.4499260505483642
Energy: 1.5514199098826045
Energy: 1.4499260505459437
Energy: 1.5555309167811793
Energy: 1.309581556159854
Energy: 1.4057855965310633
Energy: 1.3095815561586437
Energy: 1.7180768114488498
Energy: 1.353934208673486
Energy: 1.4063056931621722
Energy: 1.3539342086746962
Energy: 1.717798718537249
Energy: 1.305699950731301
Energy: 1.3530668634199985
Energy: 1.3056999507300906
Energy: 1.4024545160196815
Energy: 1.3626464491067543
Energy: 1.4024044851453359
Energy: 1.3626464491067543
Energy: 1.3999005203254193
Energy: 1.3614109675155224
Energy: 1.4032530865314834
Energy: 1.361410967514312
Energy: 1.4030128302150635
Energy: 1.3591770569344594
Energy: 1.3996079076607897
Energy: 1.3591770569344594
Energy: 1.385383186255045
Energy: 1.429886563557643
Energy: 1.40379361145113
Energy: 1.4298865635600635
Energy: 1.3523934109954279
Energy: 1.352621709123905
Energy: 1.6456251910859374
Energy: 1.3526217091226949
Energy: 1.4064863647158226
Energy: 1.3526771908548803
Energy: 1.645787580192818
Energy: 1.35267719085367
Energy: 1.4059885928265894
Energy: 1.3114404912187358
Energy: 1.6867913222809214
Energy: 1.3114404912175255
Energy: 1.3593958665609733
Energy: 1.6057224399449337
Energy: 1.7218323389755148
Energy: 1.6057224399437235

minimum gb energy = 1.2983090915473916 eV
minimum distance =  2.25926319996825 Angstroms
sigma value = 1


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

Energy: 2.281389976913782
Energy: 1.4107407409787551
Energy: 1.6186016350682535
Energy: 1.5724757300868057
Energy: 1.3323564062823303
Energy: 1.3493424314807794
Energy: 1.474291581364047
Energy: 1.3493424314807794
Energy: 1.349899957149564
Energy: 1.3405864655053525
Energy: 1.5700695258764195
Energy: 1.3405864655053525
Energy: 1.3458842510040678
Energy: 1.3416419828022912
Energy: 1.4309256985284098
Energy: 1.3416419828006179
Energy: 1.3478724470911023
Energy: 1.343669992359514
Energy: 1.532397884646594
Energy: 1.3436699923628608
Energy: 1.355319617789897
Energy: 1.3406617309071738
Energy: 1.4456124222648419
Energy: 1.3406617309071738
Energy: 1.3542018809196756
Energy: 1.3395470914000023
Energy: 1.60107666020436
Energy: 1.3395470914000023
Energy: 1.3587412369310885
Energy: 1.3377864715192649
Energy: 1.5996204539892656
Energy: 1.3377864715192649
Energy: 1.2617533017087952
Energy: 1.281345013829021
Energy: 1.6063222009259726
Energy: 1.281345013829021
Energy: 1.609732949807982
Energy: 1.7916880287947357
Energy: 1.769294111459425
Energy: 1.7916880287947357
Energy: 1.2626167861980626
Energy: 1.27930433062869
Energy: 1.5248299947664727
Energy: 1.27930433062869
Energy: 1.261759185100447
Energy: 1.2261142460463623
Energy: 1.6946818045071823
Energy: 1.2261142460463623
Energy: 1.2580949597470765
Energy: 1.2283359282293747
Energy: 1.6952246209734392
Energy: 1.2283359282277013
Energy: 1.2606607540063568
Energy: 1.2267338222993605
Energy: 1.328873877703241
Energy: 1.2267338222993605
Energy: 1.4308710456035127
Energy: 1.4445300032587087
Energy: 1.4683345074760443
Energy: 1.4445300032570354
Energy: 1.4307472246114978
Energy: 1.2861982694834408
Energy: 1.4745927191535948
Energy: 1.2861982694851142
Energy: 1.4633123149344949
Energy: 1.2876461078947927
Energy: 1.4214460004744618
Energy: 1.2876461078947927
Energy: 1.5859327701474317
Energy: 1.3464037193349312
Energy: 1.3680224438078936
Energy: 1.3464037193366047
Energy: 1.5866919191515556
Energy: 1.3494281327033748
Energy: 1.3697208720786582
Energy: 1.3494281327033748
Energy: 1.5292151869481887
Energy: 1.3507400578108235
Energy: 1.3699514310550882
Energy: 1.3507400578091504
Energy: 1.5296743733852394
Energy: 1.3425819442791178
Energy: 1.6095686825923978
Energy: 1.3425819442791178
Energy: 1.5617225140512172
Energy: 1.3425501911922035
Energy: 1.6096031164800777
Energy: 1.3425501911922035
Energy: 1.5619746035561122
Energy: 1.3885619078566345
Energy: 1.496911463407087
Energy: 1.3885619078549611
Energy: 1.535429789283284
Energy: 1.4680227957687721
Energy: 1.460506028865862
Energy: 1.4680227957704457

minimum gb energy = 1.2261142460463623 eV
minimum distance =  2.27639449616987 Angstroms
sigma value = 17


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

Energy: 2.0002557342521814
Energy: 1.6423195289622936
Energy: 1.7854188142755283
Energy: 1.7416019032213794
Energy: 1.2765329934309673
Energy: 1.305497624355057
Energy: 1.4374140604578356
Energy: 1.3054976243581597
Energy: 1.2684574070052999
Energy: 1.2687918864716847
Energy: 1.613024518320227
Energy: 1.2687918864675478
Energy: 1.2700918549328584
Energy: 1.2715138137403945
Energy: 1.6088366880486682
Energy: 1.2715138137393605
Energy: 1.2721183612266642
Energy: 1.272897981397052
Energy: 1.3226133445955173
Energy: 1.272897981397052
Energy: 1.364021313258318
Energy: 1.303863271424958
Energy: 1.3633118398976665
Energy: 1.3038632714228897
Energy: 1.3618882209233423
Energy: 1.3037665392682645
Energy: 1.3618135976314834
Energy: 1.3037665392724018
Energy: 1.3631804551434368
Energy: 1.303389046116066
Energy: 1.3607749785524457
Energy: 1.3033890461222717
Energy: 1.4758548439564405
Energy: 1.2699406406929536
Energy: 1.268939443083368
Energy: 1.2699406407001934
Energy: 1.5512103719701391
Energy: 1.2720706423728103
Energy: 1.2743994781087578
Energy: 1.272070642374879
Energy: 1.4999365536221783
Energy: 1.2709686279018797
Energy: 1.2688151620363959
Energy: 1.2709686279018797
Energy: 1.61450500679242
Energy: 1.3029820394196558
Energy: 1.4969973920410709
Energy: 1.3029820394217244
Energy: 1.7785369741966104
Energy: 1.4080088797921968
Energy: 1.4968554311906754
Energy: 1.4080088797921968
Energy: 1.5011330686779434
Energy: 1.274366097992414
Energy: 1.2690058220609062
Energy: 1.2743660979903453
Energy: 1.605788282989581
Energy: 1.2700529867521373
Energy: 1.3711952167304036
Energy: 1.2700529867604118
Energy: 1.6811844616367926
Energy: 1.2688801206591274
Energy: 1.3540127660873251
Energy: 1.2688801206591274
Energy: 1.3206218711619042
Energy: 1.304943163882817
Energy: 1.449511133042129
Energy: 1.3049431638838516
Energy: 1.3201874471081236
Energy: 1.3043030922508965
Energy: 1.443328038482416
Energy: 1.3043030922477934
Energy: 1.3227958058417124
Energy: 1.3009592222920319
Energy: 1.442877489641318
Energy: 1.3009592222941007
Energy: 1.3349027376191975
Energy: 1.3635778456593801
Energy: 1.4595862282402272
Energy: 1.3635778456542087
Energy: 1.2932911670946952
Energy: 1.2886292632677996
Energy: 1.552887468243976
Energy: 1.2886292632657308
Energy: 1.2924035879500297
Energy: 1.289919027146239
Energy: 1.5532064414644908
Energy: 1.289919027142102
Energy: 1.2927444591675061
Energy: 1.2940386146714205
Energy: 1.2959130849735818
Energy: 1.2940386146662488
Energy: 1.6682979597682672
Energy: 1.3694476634134203
Energy: 1.5344082143049043
Energy: 1.3694476634175574
Energy: 1.4989044637997269
Energy: 1.2885678532364133
Energy: 1.5634616701712372
Energy: 1.288567853231289
Energy: 1.5138893381640388
Energy: 1.2904079825575265
Energy: 1.294190339950168
Energy: 1.290407982552355
Energy: 1.5732513756284363
Energy: 1.5522380583080242
Energy: 1.675116827145732
Energy: 1.5522380583049216
Energy: 1.4893808488758906
Energy: 1.289269555326336
Energy: 1.305482617484935
Energy: 1.2892695553273703
Energy: 1.5578472948411963
Energy: 1.2895810278651096
Energy: 1.2923755642731034
Energy: 1.2895810278702813
Energy: 1.4950405455156932
Energy: 1.2916965473730972
Energy: 1.2914712273044169
Energy: 1.2916965473730972
Energy: 1.4136543959233892
Energy: 1.2919817424761606
Energy: 1.2927352271730297
Energy: 1.2919817424761606
Energy: 1.4422292353495099
Energy: 1.3054319827792218
Energy: 1.319554788377647
Energy: 1.3054319827781877
Energy: 1.443383176060235
Energy: 1.3029051411000254
Energy: 1.3211385201374224
Energy: 1.3029051410969226
Energy: 1.4440336868505097
Energy: 1.301459181909779
Energy: 1.3206060775376942
Energy: 1.3014591819087447
Energy: 1.356519219789276
Energy: 1.2707188303304888
Energy: 1.3203974623827488
Energy: 1.2707188303294545
Energy: 1.3666609708095525
Energy: 1.3685658168055654
Energy: 1.644706185687256
Energy: 1.3685658168065997
Energy: 1.3716158238311507
Energy: 1.2706364262897856
Energy: 1.4993644811739986
Energy: 1.2706364262887513
Energy: 1.3032030769324592
Energy: 1.303559171645103
Energy: 1.581062713676642
Energy: 1.3035591716440686

minimum gb energy = 1.2684574070052999 eV
minimum distance =  2.28578552922424 Angstroms
sigma value = 89


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

Energy: 2.223081885729966
Energy: 1.216691205840525
Energy: 1.541936295555974
Energy: 1.484026997828011
Energy: 1.2396449288843816
Energy: 1.2313097835759719
Energy: 1.2319634144119407
Energy: 1.2313097835759719
Energy: 1.233914691287455
Energy: 1.2279954970604774
Energy: 1.380509525796609
Energy: 1.227995497061
Energy: 1.2289654085124855
Energy: 1.2290511705145135
Energy: 1.38043509223817
Energy: 1.2290511705128837
Energy: 1.2334053690211515
Energy: 1.2415149143593114
Energy: 1.3410757973886136
Energy: 1.2415149143587576
Energy: 1.3179719361836242
Energy: 1.2295346846567226
Energy: 1.317609107207811
Energy: 1.2295346846572455
Energy: 1.3189081282691124
Energy: 1.2271339145314306
Energy: 1.3191204233176999
Energy: 1.227133914530631
Energy: 1.373239711607253
Energy: 1.2296710634244599
Energy: 1.3152322885163532
Energy: 1.2296710634228607
Energy: 1.3405937843824598
Energy: 1.2295849984066176
Energy: 1.2291571947613893
Energy: 1.2295849984066176
Energy: 1.3407492761297706
Energy: 1.2296037979451533
Energy: 1.2325655316127275
Energy: 1.2296037979432775
Energy: 1.2309086092084214
Energy: 1.2328777601008607
Energy: 1.2349930949427816
Energy: 1.2328777601016603
Energy: 1.2307361565868282
Energy: 1.2270964805978932
Energy: 1.3335803243518596
Energy: 1.2270964805981392
Energy: 1.5073480406736957
Energy: 1.229202741304745
Energy: 1.3332529390593886
Energy: 1.2292027413044684
Energy: 1.2332812964629805
Energy: 1.325331179210297
Energy: 1.2342700147909413
Energy: 1.3253311792110967
Energy: 1.2395941159330008
Energy: 1.2282798619252024
Energy: 1.2335467239074178
Energy: 1.2282798619252024

minimum gb energy = 1.216691205840525 eV
minimum distance =  2.30279077795588 Angstroms
sigma value = 13


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

Energy: 1.4444127812742291
Energy: 1.2540345080925537
Energy: 1.4125597399834005
Energy: 1.4269978087733464
Energy: 1.1945445745585423
Energy: 1.1855606840059547
Energy: 1.1923157170944787
Energy: 1.1855606840059547
Energy: 1.1918511043355113
Energy: 1.1831667572230204
Energy: 1.4081632096741874
Energy: 1.183166757220752
Energy: 1.1881385616145255
Energy: 1.1825544426120334
Energy: 1.401427843814266
Energy: 1.1825544426131676
Energy: 1.1953877923381224
Energy: 1.1852695210788806
Energy: 1.2306974218283793
Energy: 1.1852695210777464
Energy: 1.3395381195012763
Energy: 1.1638185762575326
Energy: 1.2316017624187585
Energy: 1.1638185762586668
Energy: 1.3348083454912016
Energy: 1.16345961939291
Energy: 1.2313732647634403
Energy: 1.16345961939291
Energy: 1.3252451699075234
Energy: 1.165213697003568
Energy: 1.2318594765747906
Energy: 1.165213697003568
Energy: 1.3337567400006622
Energy: 1.1649496882364432
Energy: 1.2309951361737226
Energy: 1.1649496882375774
Energy: 1.3348659521917638
Energy: 1.164859706720065
Energy: 1.2277918982860705
Energy: 1.1648597067211992
Energy: 1.305612469117204
Energy: 1.1685947685826716
Energy: 1.2315763458417426
Energy: 1.1685947685815374
Energy: 1.1888026497756983
Energy: 1.1820729743996357
Energy: 1.313258176160791
Energy: 1.1820729743996357
Energy: 1.191628360725816
Energy: 1.181543496710741
Energy: 1.3142779882849294
Energy: 1.1815434967084724
Energy: 1.1919914610088331
Energy: 1.1889063993165252
Energy: 1.3157622232320907
Energy: 1.188906399315391
Energy: 1.3119363714853136
Energy: 1.1822871228838399
Energy: 1.1906239244880303
Energy: 1.1822871228827057
Energy: 1.3113219079220382
Energy: 1.1820285856149917
Energy: 1.1919016457279237
Energy: 1.1820285856149917
Energy: 1.191495373115318
Energy: 1.187990052800396
Energy: 1.1922500210529972
Energy: 1.1879900527981275
Energy: 1.1938400371983875
Energy: 1.1831317772289034
Energy: 1.3994304740141645
Energy: 1.1831317772300376
Energy: 1.1968780711729632
Energy: 1.1833694191611683
Energy: 1.19490933200351
Energy: 1.1833694191623025
Energy: 1.3141592668326287
Energy: 1.1855746781609715
Energy: 1.1919908440223677
Energy: 1.1855746781609715
Energy: 1.401668217405584
Energy: 1.1855580300049329
Energy: 1.1897055145675943
Energy: 1.1855580300037987
Energy: 1.2307199570685297
Energy: 1.2974477485386426
Energy: 1.1917128831644408
Energy: 1.2974477485363742
Energy: 1.2361148767098902
Energy: 1.1649301285431737
Energy: 1.3345078156088974
Energy: 1.1649301285431737
Energy: 1.233871738355443
Energy: 1.163998367296441
Energy: 1.257942737752196
Energy: 1.163998367296441
Energy: 1.2293816495415062
Energy: 1.1662000612659962
Energy: 1.3252370112418719
Energy: 1.1662000612648618
Energy: 1.2281875252486296
Energy: 1.1678093533316685
Energy: 1.3280571087799966
Energy: 1.1678093533316685
Energy: 1.229969620146366
Energy: 1.1658441919971463
Energy: 1.3353951069969672
Energy: 1.1658441919971463
Energy: 1.2336701429405623
Energy: 1.1670913205298623
Energy: 1.3321976445957724
Energy: 1.1670913205309967
Energy: 1.2310239817084008
Energy: 1.1835828365953276
Energy: 1.189617942899091
Energy: 1.1835828365953276
Energy: 1.3317218074961195
Energy: 1.182850053357324
Energy: 1.1927531545927914
Energy: 1.182850053357324
Energy: 1.316047334172879
Energy: 1.1880658772562263
Energy: 1.1918510761044627
Energy: 1.1880658772573605
Energy: 1.1935783522413537
Energy: 1.1822880997027108
Energy: 1.3104473767262113
Energy: 1.1822880997038452
Energy: 1.1931424037613538
Energy: 1.1826589014559696
Energy: 1.311035748343313
Energy: 1.1826589014559696
Energy: 1.1937685291820976
Energy: 1.1884925005799432
Energy: 1.191669181809034
Energy: 1.1884925005821603
Energy: 1.1971787235588713
Energy: 1.181678100522113
Energy: 1.1923216735554998
Energy: 1.181678100522113

minimum gb energy = 1.16345961939291 eV
minimum distance =  2.30789286471055 Angstroms
sigma value = 37


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

Energy: 1.4560048381060038
Energy: 1.19048792581904
Energy: 1.3416235277021453
Energy: 1.3440149060705937
Energy: 1.134590214439464
Energy: 1.1377980978273436
Energy: 1.1400063877555575
Energy: 1.1377980978267672
Energy: 1.1404040925690844
Energy: 1.1352638559595385
Energy: 1.1346141856092251
Energy: 1.1352638559606916
Energy: 1.1372874341616268
Energy: 1.1332413283446923
Energy: 1.1328230594110626
Energy: 1.1332413283442933
Energy: 1.140464089205565
Energy: 1.1449909182032314
Energy: 1.1596986212158462
Energy: 1.1449909182024331
Energy: 1.2459432897273346
Energy: 1.0985300593072163
Energy: 1.158845929602439
Energy: 1.098530059307815
Energy: 1.245980778419222
Energy: 1.0978470080127598
Energy: 1.1584898114550628
Energy: 1.0978470080125602
Energy: 1.2444843414680993
Energy: 1.082827168035314
Energy: 1.158911803877403
Energy: 1.0828271680339392
Energy: 1.2134473799304777
Energy: 1.0794278362468268
Energy: 1.2146168255923526
Energy: 1.0794278362468268
Energy: 1.2143006819824116
Energy: 1.078670366096149
Energy: 1.214211697221828
Energy: 1.0786703660971249
Energy: 1.2115676261828994
Energy: 1.1598176750539264
Energy: 1.242928887986613
Energy: 1.159817675051376
Energy: 1.1587876327433844
Energy: 1.0981692017042641
Energy: 1.2097027739925688
Energy: 1.0981692017044635
Energy: 1.1583141992967694
Energy: 1.098162900194793
Energy: 1.209625241625567
Energy: 1.0981629001951922
Energy: 1.159111139929454
Energy: 1.102766255627066
Energy: 1.1405392932464593
Energy: 1.1027662556264675
Energy: 1.2025927900887454
Energy: 1.1322455127958335
Energy: 1.1389381476538585
Energy: 1.1322455127972082
Energy: 1.2169815196397238
Energy: 1.1331166599478926
Energy: 1.1404700744979654
Energy: 1.133116659946318
Energy: 1.1395964039362267
Energy: 1.1455881855016188
Energy: 1.140772798981455
Energy: 1.1455881855018184
Energy: 1.366151760564901
Energy: 1.1385259110662118
Energy: 1.131828078740315
Energy: 1.1385259110749935
Energy: 1.140495203730014
Energy: 1.135221080405018
Energy: 1.1323065605111984
Energy: 1.1352210804053953
Energy: 1.134590214233471
Energy: 1.1384669284269893
Energy: 1.1399246183241198
Energy: 1.1384669284260134

minimum gb energy = 1.078670366096149 eV
minimum distance =  2.31369865009634 Angstroms
sigma value = 25


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

Energy: 1.2297684100004014
Energy: 1.08770582113128
Energy: 1.2102346912551618
Energy: 1.2277103475116489
Energy: 1.0435636863689013
Energy: 1.0589465033333758
Energy: 1.050524344943616
Energy: 1.0589465033348997
Energy: 1.0507717502252127
Energy: 1.0455679244368183
Energy: 1.060436584131015
Energy: 1.0455679244413898
Energy: 1.0498667371963004
Energy: 1.0438716615002492
Energy: 1.0390128532702023
Energy: 1.0438716614972012
Energy: 1.0600166439656344
Energy: 1.0272256741495787
Energy: 1.059546222759277
Energy: 1.0272256741495787
Energy: 1.0433828373243903
Energy: 1.0091306901826302
Energy: 1.0589701655648869
Energy: 1.0091306901826302
Energy: 1.0435491683806422
Energy: 1.0092340457954996
Energy: 1.0615074758870646
Energy: 1.0092340457970237
Energy: 1.1198587505665194
Energy: 1.001722782701149
Energy: 1.0718186704613213
Energy: 1.0017227826996253
Energy: 1.0877409405779674
Energy: 0.9790908540427212
Energy: 1.0706821900511219
Energy: 0.9790908540411973
Energy: 1.0890553350051095
Energy: 0.9777758786698985
Energy: 1.157702410022816
Energy: 0.9777758786698985
Energy: 1.0867096804234342
Energy: 1.0489130805780185
Energy: 1.1567685382455173
Energy: 1.0489130805780185
Energy: 1.1310279321145256
Energy: 0.9671524457710303
Energy: 1.1310778159126187
Energy: 0.9671524457725542
Energy: 1.1363098394483628
Energy: 0.9688834621607257
Energy: 1.131340393722184
Energy: 0.9688834621607257
Energy: 1.1589661951151613
Energy: 0.9800428167378057
Energy: 1.0984565276385585
Energy: 0.9800428167378057
Energy: 1.0706118328962764
Energy: 0.9788269708078785
Energy: 1.089230954837695
Energy: 0.9788269708063547
Energy: 1.0704357830941342
Energy: 0.9776363824995988
Energy: 1.089782366971273
Energy: 0.9776363825011227
Energy: 1.0643263239690826
Energy: 1.02771475236692
Energy: 1.1174219425879102
Energy: 1.0277147523653962
Energy: 1.0605030490160787
Energy: 1.0089114433639659
Energy: 1.0673985126806844
Energy: 1.0089114433639659
Energy: 1.0591114520558973
Energy: 1.009381067913331
Energy: 1.0503860684130493
Energy: 1.0093810679118072
Energy: 1.0594641762084402
Energy: 1.0585868958205664
Energy: 1.0506366988135187
Energy: 1.0585868958190423
Energy: 1.0459578701757748
Energy: 1.0608683174985132
Energy: 1.05055276564195
Energy: 1.060868317501561
Energy: 1.060400769429854
Energy: 1.0482512332963274
Energy: 1.0509998636128366
Energy: 1.0482512332963274
Energy: 1.0509745695033619
Energy: 1.0455605971729829
Energy: 1.055909532806793
Energy: 1.0455605971714588
Energy: 1.053829924604853
Energy: 1.0444427591268666
Energy: 1.0414345177414233
Energy: 1.044442759123819
Energy: 1.0504210370794285
Energy: 1.0591404682782735
Energy: 1.0510085095627633
Energy: 1.0591404682782735
Energy: 1.0432783507333363
Energy: 1.0445856846197
Energy: 1.051195614743008
Energy: 1.044585684621224

minimum gb energy = 0.9671524457710303 eV
minimum distance =  2.31210012861535 Angstroms
sigma value = 41


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

Energy: 1.1343255506262693
Energy: 1.0033007545140467
Energy: 1.10470053153954
Energy: 1.1172439283590168
Energy: 0.9675544685109648
Energy: 0.941397816256197
Energy: 0.9731540845913369
Energy: 0.941397816256197
Energy: 0.9732177640147487
Energy: 0.9692381047781985
Energy: 0.9830526719083884
Energy: 0.9692381047819464
Energy: 0.9745843525402422
Energy: 0.9679601645577003
Energy: 0.9640570827519489
Energy: 0.967960164556451
Energy: 0.9786286467439871
Energy: 0.9501034313548965
Energy: 0.9773333997265641
Energy: 0.9501034313561458
Energy: 0.967078957480217
Energy: 0.9348935323584233
Energy: 0.9772796623735194
Energy: 0.934893532357174
Energy: 0.9672856118196224
Energy: 0.9365829827120974
Energy: 0.979098900481654
Energy: 0.9365829827120974
Energy: 1.0213910117586062
Energy: 1.0052752187207934
Energy: 0.9926764049993704
Energy: 1.0052752187207934
Energy: 0.9988934484546307
Energy: 0.9050154578749555
Energy: 1.0088371042023283
Energy: 0.9050154578762049
Energy: 0.9989300216264305
Energy: 0.905027442951665
Energy: 1.0085505030829125
Energy: 0.9050274429529143
Energy: 1.0149871086586257
Energy: 0.8879440445586668
Energy: 1.0579576306973721
Energy: 0.887944044559916
Energy: 1.010171630250668
Energy: 0.8880639598760094
Energy: 1.0282288018229062
Energy: 0.8880639598797574
Energy: 1.0305924365591146
Energy: 0.887676529880555
Energy: 1.029050713402856
Energy: 0.887676529880555
Energy: 1.0527164858782148
Energy: 0.8827892941479184
Energy: 1.0091158542755232
Energy: 0.8827892941479184
Energy: 1.0276652004461886
Energy: 0.8820008316558788
Energy: 1.0279213188435257
Energy: 0.8820008316583775
Energy: 1.0628428317392082
Energy: 0.8827076394671518
Energy: 1.051502545003074
Energy: 0.8827076394671518
Energy: 1.0240967729408819
Energy: 0.8878789855181536
Energy: 1.0527954043693815
Energy: 0.8878789855181536
Energy: 1.0260601115008976
Energy: 0.8873073370894577
Energy: 1.0108645962425598
Energy: 0.8873073370907071
Energy: 1.0348150326346381
Energy: 0.886838932164902
Energy: 1.009786533780122
Energy: 0.8868389321661513
Energy: 1.0535499771153904
Energy: 0.9050812259755654
Energy: 1.0113354944582171
Energy: 0.9050812259768147
Energy: 0.9914755632333221
Energy: 0.9048696218048866
Energy: 0.998951749869968
Energy: 0.9048696218036373
Energy: 0.9913445917731943
Energy: 0.9065958323207336
Energy: 1.0224595917499741
Energy: 0.9065958323219829
Energy: 0.9794350077009433
Energy: 0.9363061590879084
Energy: 1.022998764426806
Energy: 0.9363061590854098
Energy: 0.977959264982811
Energy: 0.9370472499878698
Energy: 0.988544445042632
Energy: 0.9370472499841219
Energy: 0.9776578049115364
Energy: 0.9363480830610936
Energy: 0.9780833033410027
Energy: 0.9363480830623429
Energy: 1.0153698407687168
Energy: 0.9670548717211546
Energy: 0.9752622784766084
Energy: 0.9670548717199051
Energy: 0.9697598812309094
Energy: 0.9674427770852477
Energy: 0.9798240148708465
Energy: 0.967442777086497
Energy: 0.9774523435061335
Energy: 0.9932066459326225
Energy: 0.9734400118469865
Energy: 0.9932066459338718
Energy: 0.9768318101162846
Energy: 0.9672765005475897
Energy: 0.9676191575415033
Energy: 0.9672765005475897
Energy: 0.9730272554516285
Energy: 0.9670903107605996
Energy: 0.9754848126306858
Energy: 0.9670903107618488
Energy: 0.9732489468383269
Energy: 0.9728786163033943
Energy: 0.9735764564055778
Energy: 0.9728786162996466
Energy: 0.9716076509741857
Energy: 0.9677194896748593
Energy: 0.9765938123030483
Energy: 0.9677194896748593

minimum gb energy = 0.8820008316558788 eV
minimum distance =  2.31694806437461 Angstroms
sigma value = 15


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

Energy: 1.0604282419192292
Energy: 0.9330806087061638
Energy: 1.0178510821568818
Energy: 1.0293092013424305
Energy: 0.9029219977454083
Energy: 0.8756769436856251
Energy: 0.9133505306052389
Energy: 0.8756769436835083
Energy: 0.9074945122631908
Energy: 0.9047168317375223
Energy: 0.916351569103522
Energy: 0.9047168317385805
Energy: 0.9082311080005053
Energy: 0.9025887015251006
Energy: 0.904134383865663
Energy: 0.9025887015240422
Energy: 0.9112762063721649
Energy: 0.8861060710690546
Energy: 0.9099592298467156
Energy: 0.8861060710711713
Energy: 0.9389226398566718
Energy: 0.8740888145803443
Energy: 0.917750861511997
Energy: 0.8740888145782276
Energy: 0.9362034839537716
Energy: 0.8741558585078296
Energy: 0.9103068995194966
Energy: 0.8741558585088878
Energy: 0.9475493823778449
Energy: 0.9556663772601874
Energy: 0.9103142372585921
Energy: 0.9556663772633627
Energy: 0.926918025115795
Energy: 0.8459283939480816
Energy: 0.91460523844223
Energy: 0.8459283939470232
Energy: 0.9255989900778105
Energy: 0.8457897547123112
Energy: 0.9562043895755942
Energy: 0.8457897547123112
Energy: 0.9276453271676417
Energy: 0.8280238533838049
Energy: 0.9817294892969531
Energy: 0.8280238533806299
Energy: 0.9368927485694531
Energy: 0.8277597540088395
Energy: 0.9464383257487742
Energy: 0.8277597540098979
Energy: 0.9718660563696232
Energy: 0.828670160272653
Energy: 0.9477879890835805
Energy: 0.8286701602684196
Energy: 0.972787383971034
Energy: 0.8171780232502217
Energy: 0.9494448980027431
Energy: 0.8171780232502217
Energy: 0.9780271171637036
Energy: 0.8180028405600446
Energy: 0.9403022392964091
Energy: 0.8180028405653363
Energy: 0.9731563525222606
Energy: 0.8193385728509488
Energy: 0.9700111121758647
Energy: 0.819338572860474
Energy: 0.9455579163876519
Energy: 0.8155534600617175
Energy: 0.9730388797614166
Energy: 0.8155534600659509
Energy: 0.9430620531636177
Energy: 0.8132900140174918
Energy: 0.9656247484721411
Energy: 0.8132900140164334
Energy: 0.9735088622229873
Energy: 0.8148445783668962
Energy: 0.9685585482877704
Energy: 0.8148445783616525
Energy: 0.9701954006331791
Energy: 0.8195357123760957
Energy: 0.9647491768159
Energy: 0.8195357123760957
Energy: 0.939765086988643
Energy: 0.8184590474471131
Energy: 0.9791758294600506
Energy: 0.8184590474471131
Energy: 0.9392565361187344
Energy: 0.8166927242917512
Energy: 0.9723482588846486
Energy: 0.8166927242928096
Energy: 0.948913406849948
Energy: 0.8294496824979567
Energy: 0.9718566347861017
Energy: 0.8294496825021901
Energy: 0.947050501729938
Energy: 0.8281337229796724
Energy: 0.9396773927524634
Energy: 0.8281337229839059
Energy: 0.9808116380383605
Energy: 0.8282548287608339
Energy: 0.9282543490787353
Energy: 0.8282548287650672
Energy: 0.9739429505930493
Energy: 0.846274882494069
Energy: 0.9244407140736319
Energy: 0.8462748824951273
Energy: 0.9374424848187973
Energy: 0.8463929510018608
Energy: 0.9261407648300712
Energy: 0.8463929510008026
Energy: 0.9242517427926379
Energy: 0.8473214923246828
Energy: 0.9470966099820156
Energy: 0.8473214923225661
Energy: 0.9104712081972982
Energy: 0.874203997630283
Energy: 0.9230850505703697
Energy: 0.8742039976355748
Energy: 0.9164770361130036
Energy: 0.8738714541692926
Energy: 0.9199614739388187
Energy: 0.873871454167176
Energy: 0.9103513403116238
Energy: 0.9202323821559264
Energy: 0.9102715249255494
Energy: 0.9202323821527515
Energy: 0.9204049112249797
Energy: 0.903249836532779
Energy: 0.9084790316586265
Energy: 0.9032498365274874
Energy: 0.9087379061893042
Energy: 0.9044833716834724
Energy: 0.9080807294673984
Energy: 0.9044833716845307
Energy: 0.9099168089029394
Energy: 0.8751034353138616
Energy: 0.9084027161160376
Energy: 0.8751034352715277
Energy: 1.0407178769275642
Energy: 1.0167131462260595
Energy: 0.9083902310696607
Energy: 1.0167131462281762
Energy: 0.907641256828137
Energy: 0.9044715391366214
Energy: 0.9092224038146159
Energy: 0.904471539132388
Energy: 0.9138794281746977
Energy: 0.9046704750934622
Energy: 0.9078256867348272
Energy: 0.9046704750955789

minimum gb energy = 0.8132900140164334 eV
minimum distance =  2.31064433580798 Angstroms
sigma value = 85


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

Energy: 1.0142740039750417
Energy: 0.8058142944058468
Energy: 0.901935152958067
Energy: 0.9121269857711904
Energy: 0.7915275720293024
Energy: 0.7759612376779412
Energy: 0.8123632455251066
Energy: 0.7759612376779412
Energy: 0.8012395981880656
Energy: 0.7971830275716479
Energy: 0.8248226354166158
Energy: 0.7971830275716479
Energy: 0.8011868661207521
Energy: 0.794484554085007
Energy: 0.796754026327963
Energy: 0.7944845540831713
Energy: 0.8120148464157286
Energy: 0.7874475378444593
Energy: 0.8121119026692345
Energy: 0.7874475378435414
Energy: 0.8572137857214241
Energy: 0.774940737554292
Energy: 0.8112018991838547
Energy: 0.7749407375552099
Energy: 0.8002087726881053
Energy: 0.7745458872765846
Energy: 0.811543574062034
Energy: 0.7745458872756668
Energy: 0.8498167744391326
Energy: 0.8160676802025061
Energy: 0.8485088524559473
Energy: 0.8160676802025061
Energy: 0.8362020152919183
Energy: 0.7570204098790833
Energy: 0.8118071152082141
Energy: 0.7570204098790833
Energy: 0.8411615415424547
Energy: 0.7570611155412054
Energy: 0.8486322117616556
Energy: 0.7570611155421232
Energy: 0.8405849370349621
Energy: 0.7498306193887043
Energy: 0.8797845511421485
Energy: 0.7498306193896223
Energy: 0.8522898039853464
Energy: 0.7481834147410547
Energy: 0.8584609450426504
Energy: 0.748183414739219
Energy: 0.8858770622443909
Energy: 0.748239515347821
Energy: 0.8636499369664411
Energy: 0.7482395153487389
Energy: 0.8869753971051357
Energy: 0.7445546460587849
Energy: 0.8627493647197072
Energy: 0.7445546460597027
Energy: 0.8875250361866817
Energy: 0.7426487606477468
Energy: 0.8642818597727956
Energy: 0.7426487606486647
Energy: 0.8720460210107424
Energy: 0.7438110514088094
Energy: 0.8905863951146343
Energy: 0.7438110514088094
Energy: 0.8716555989344075
Energy: 0.7427982444865401
Energy: 0.891249683132938
Energy: 0.7427982444892939
Energy: 0.8717144230810001
Energy: 0.7415445618889416
Energy: 0.911920947427534
Energy: 0.7415445618880236
Energy: 0.8933109322681834
Energy: 0.7429707034927778
Energy: 0.8770256233168539
Energy: 0.7429707034918599
Energy: 0.8934260745864572
Energy: 0.741182636120847
Energy: 0.8764363553390679
Energy: 0.74118263612358
Energy: 0.8761535953239616
Energy: 0.741110274327587
Energy: 0.87604595519178
Energy: 0.741110274327587
Energy: 0.876674464468792
Energy: 0.7423460603059029
Energy: 0.8945296226764142
Energy: 0.7423460603059029
Energy: 0.9127083671174713
Energy: 0.7418551753862158
Energy: 0.8931399512019892
Energy: 0.7418551753862158
Energy: 0.9120330366753928
Energy: 0.7416931702329804
Energy: 0.8716200798739117
Energy: 0.7416931702329804
Energy: 0.8928500836543543
Energy: 0.7435432566878797
Energy: 0.8711014946195512
Energy: 0.7435432566878797
Energy: 0.8905755296885632
Energy: 0.7431431530249377
Energy: 0.8841233745314712
Energy: 0.7431431530249377
Energy: 0.8628619002449156
Energy: 0.7433206782977054
Energy: 0.8870249895803729
Energy: 0.7433206782977054
Energy: 0.8624552101806725
Energy: 0.8417502406966489
Energy: 0.8859494139341836
Energy: 0.841750240694813
Energy: 0.8643900498451051
Energy: 0.7475248931094146
Energy: 0.8405933140662251
Energy: 0.7475248931094146
Energy: 0.8614658890811056
Energy: 0.748134042064805
Energy: 0.8404554386058795
Energy: 0.7481340420638871
Energy: 0.8795981227771646
Energy: 0.8335136257064782
Energy: 0.840594249556984
Energy: 0.833513625707396
Energy: 0.829234028633522
Energy: 0.7579910829568339
Energy: 0.8347700623029435
Energy: 0.7579910829568339
Energy: 0.8113866953428766
Energy: 0.7583904142377667
Energy: 0.8330325077298646
Energy: 0.7583904142368487
Energy: 0.811491391649067
Energy: 0.7878938160158379
Energy: 0.8506502136944468
Energy: 0.787893816014002
Energy: 0.8119423230230024
Energy: 0.7742639629608005
Energy: 0.8371904582930975
Energy: 0.7742639629598828
Energy: 0.8114587657660487
Energy: 0.7772700503413625
Energy: 0.850722475521952
Energy: 0.7772700503413625
Energy: 0.8385857477352195
Energy: 0.7770547230810313
Energy: 0.8123861143235432
Energy: 0.7770547230810313
Energy: 0.7863977135599031
Energy: 0.8028846961752091
Energy: 0.802598795106453
Energy: 0.802884696176127
Energy: 0.8117418844706568
Energy: 0.7960107737178893
Energy: 0.8011371162243246
Energy: 0.7960107737215609
Energy: 0.8113342147198974
Energy: 0.775931617502334
Energy: 0.8138469838910248
Energy: 0.775931617502334
Energy: 0.8011364993679725
Energy: 0.7949570321962396
Energy: 0.8018551713942362
Energy: 0.7949570321944036
Energy: 0.8015481652345637
Energy: 0.7763341241357135
Energy: 0.801703003094145
Energy: 0.7763341241357135
Energy: 0.8049876564149205
Energy: 0.7943853708915668
Energy: 0.8009455493445687
Energy: 0.7943853708924847

minimum gb energy = 0.741110274327587 eV
minimum distance =  2.30914376037079 Angstroms
sigma value = 113


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

Energy: 0.014893317466768193
Energy: 0.015027896566829546
Energy: 0.9468113994182935
Energy: 0.10521788835969612
Energy: 0.015686359681722623
Energy: 0.10503743232308371
Energy: 0.09026826693868518
Energy: 0.10503743232308371
Energy: 0.09263852874325401
Energy: 0.1051296897319864
Energy: 0.015596942857294054
Energy: 0.10512968973265283
Energy: 0.0877309535990766
Energy: 0.10643406027998953
Energy: 0.016810297977063113
Energy: 0.10643406027998953
Energy: 0.08847030916698594
Energy: 0.10487771327627653
Energy: 0.08928732780601879
Energy: 0.10487771327627653
Energy: 0.015795710699898338
Energy: 0.1059717543474816
Energy: 0.0877589420930128
Energy: 0.1059717543474816

minimum gb energy = 0.014893317466768193 eV
minimum distance =  2.45599894296054 Angstroms
sigma value = 1