Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.176897808909416
cohesive_energy=7.38391435376031
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=[3.1990660851077996e-19, 4.60371036190194e-19, 5.68582046050554e-19, 6.570606484865699e-19, 7.316147337964919e-19, 7.955640119659679e-19, 8.51031367035048e-19, 8.99484392800476e-19, 9.41994945430398e-19, 9.793721241249839e-19, 1.012250390831298e-18, 1.041132829012416e-18, 1.066439208946446e-18, 1.0908643917317758e-18, 1.11042857060955e-18, 1.1270062922415479e-18, 1.141091027031042e-18, 1.152867025290942e-18, 1.1624961068612818e-18, 1.1701224676391219e-18, 1.1758726795785479e-18, 1.1798588950439399e-18, 1.182183653339874e-18, 1.182939880711122e-18, 1.182129179334318e-18, 1.1795128248909959e-18, 1.1747751885842579e-18, 1.1675445654350158e-18, 1.157378754692286e-18, 1.143752242420116e-18, 1.1260289644948079e-18, 1.103449489191846e-18, 1.0750861562401439e-18, 1.039812635466e-18, 9.962462484342718e-19, 9.42675870499848e-19, 8.7697541326941e-19, 7.96472446117446e-19, 6.9777195675651e-19, 5.765432617449e-19, 4.2716272109727597e-19, 2.42255515767336e-19, 1.2017093799784318e-20, -2.76812863586082e-19, -6.425000672367779e-19, -1.110712155873768e-18, -1.71839852703036e-18, -2.5203039541137e-18, -3.60021907072872e-18, -5.09168529931932e-18, -7.218222302094839e-18, -1.037760247197846e-17, -1.533661152423624e-17, -2.3741534015602197e-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: 0.021332517446211983
Energy: 0.13658587836690506
Energy: 1.4727551384588915
Energy: 0.13658587836643524
Energy: 0.1365858783682623
Energy: 1.7134351782910922
Energy: 0.1365858783682623
Energy: 1.7134351782906747
Energy: 1.472755138459309
Energy: 0.1365858783673227
Energy: 0.021332517446211983
Energy: 0.1365858783673227
Energy: 0.1365858783673227
Energy: 1.7134351782906747
Energy: 0.1365858783682623
Energy: 1.713435178288795

minimum gb energy = 0.021332517446211983 eV
minimum distance =  2.89930176715203 Angstroms
sigma value = 1


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

Energy: 1.3299072485327597
Energy: 1.0835781184419724
Energy: 1.0864797907831911
Energy: 1.0835781184425421
Energy: 1.114317819414844
Energy: 1.1396084256598038
Energy: 1.0609904968459174
Energy: 1.1396084256598038
Energy: 1.0620966271331038
Energy: 1.0585544207374118
Energy: 1.1277213317707488
Energy: 1.0585544207374118
Energy: 1.1138274412382527
Energy: 1.1168854549843248
Energy: 1.060625767386916
Energy: 1.1168854549871736
Energy: 1.2166584369043685
Energy: 1.1170128913178141
Energy: 1.1153715219457545
Energy: 1.1170128913183839
Energy: 1.116805027308582
Energy: 1.3198840025087117
Energy: 1.1156012995756752
Energy: 1.319884002507572
Energy: 1.2063447902467836
Energy: 1.3237337944264993
Energy: 1.2124365811283688
Energy: 1.323733794427069
Energy: 1.2191541078352528
Energy: 1.323260235262003
Energy: 1.202412197001299
Energy: 1.3232602352642822
Energy: 1.1235954061572815
Energy: 1.4240502750175068
Energy: 1.1207764465721737
Energy: 1.4240502750175068
Energy: 1.2097758281671145
Energy: 1.4225198874293095
Energy: 1.221319083788116
Energy: 1.4225198874293095
Energy: 1.206554069461694
Energy: 1.4234210173397892
Energy: 1.1227556446563394
Energy: 1.4234210173397892
Energy: 1.2178795793833461
Energy: 1.4211019896987684
Energy: 1.204835717301264
Energy: 1.4211019896987684
Energy: 1.1143586373388865
Energy: 1.3225118750402964
Energy: 1.2073091316873734
Energy: 1.3225118750402964
Energy: 1.1468966630259827
Energy: 1.3216133130104166
Energy: 1.2060054170820274
Energy: 1.3216133130098466
Energy: 1.2127959134641957
Energy: 1.1160464701491755
Energy: 1.1149406657382077
Energy: 1.1160464701497452
Energy: 1.113816473454165
Energy: 1.1195325963592224
Energy: 1.1156214837819214
Energy: 1.1195325963586527
Energy: 1.0614488696649382
Energy: 1.0565649557162056
Energy: 1.0312214843132856
Energy: 1.0565649557162056
Energy: 1.0605949946429611
Energy: 1.1165244595672548
Energy: 1.0867670500365516
Energy: 1.1165244595638362
Energy: 1.1283987414914898
Energy: 1.0637579681478084
Energy: 1.0617672633050192
Energy: 1.0637579681472387
Energy: 1.2091651565908934
Energy: 1.1171618892850868
Energy: 1.1146634255035375
Energy: 1.1171618892856565
Energy: 1.1182619783584864
Energy: 1.1143799213043737
Energy: 1.216797647560083
Energy: 1.1143799213072227
Energy: 1.1142579026763448
Energy: 1.210559539119747
Energy: 1.0688312366482247
Energy: 1.2105595391208868
Energy: 1.2132474777821685
Energy: 1.3213159954737632
Energy: 1.2042488278543495
Energy: 1.3213159954731932
Energy: 1.2029709880534445
Energy: 1.3201304686923956
Energy: 1.2183586922013938
Energy: 1.3201304686918258
Energy: 1.121491447211959
Energy: 1.4245863164569088
Energy: 1.1236456173483473
Energy: 1.4245863164569088
Energy: 1.2240003651718678
Energy: 1.422423016437841
Energy: 1.2111918118129437
Energy: 1.4224230164372715
Energy: 1.1238540061081983
Energy: 1.424783425419387
Energy: 1.2068858593902951
Energy: 1.4247834254188174
Energy: 1.2015416914493473
Energy: 1.422212518487633
Energy: 1.2146547778904782
Energy: 1.4222125184882028
Energy: 1.206932985769332
Energy: 1.322129221354956
Energy: 1.1150616894945364
Energy: 1.3221292213521072
Energy: 1.206689747279773
Energy: 1.3192098534351044
Energy: 1.201656012228876
Energy: 1.3192098534362442
Energy: 1.1162638933889344
Energy: 1.1155501126576832
Energy: 1.210535950916064
Energy: 1.1155501126565435
Energy: 1.1142853222489408
Energy: 1.1177687658607887
Energy: 1.1161995090310268
Energy: 1.1177687658613586
Energy: 1.0319884068295913
Energy: 1.0571878061778024
Energy: 1.0581259575891082
Energy: 1.0571878061783722

minimum gb energy = 1.0312214843132856 eV
minimum distance =  2.6094387786608 Angstroms
sigma value = 1


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

Energy: 2.6083573128733115
Energy: 1.1572901971485363
Energy: 1.1588966540492727
Energy: 1.1572901971485363
Energy: 1.1947534670943638
Energy: 1.2169149266713903
Energy: 1.1313409946691044
Energy: 1.21691492667204
Energy: 1.1276273564519308
Energy: 1.1277602407135292
Energy: 1.2083646714495202
Energy: 1.1277602407135292
Energy: 1.1950591011024825
Energy: 1.2992999071784905
Energy: 1.1306215339372727
Energy: 1.2992999071778408
Energy: 1.202908521748117
Energy: 1.1966074624870993
Energy: 1.1949307921183623
Energy: 1.1966074624890484
Energy: 1.1951242588683306
Energy: 1.4474471096508181
Energy: 1.1953057392777349
Energy: 1.4474471096534167
Energy: 1.1948954938153562
Energy: 1.430256574223082
Energy: 1.2029974729595436
Energy: 1.4302565742224325
Energy: 1.3115246555075777
Energy: 1.4258868887518432
Energy: 1.2864734586172673
Energy: 1.4258868887518432
Energy: 1.203373995300189
Energy: 1.5250242025452125
Energy: 1.096938975097317
Energy: 1.5250242025465117
Energy: 1.2018772188840874
Energy: 1.525571673089016
Energy: 1.3120418098027897
Energy: 1.5255716730883666
Energy: 1.2913335169998956
Energy: 1.4303233907641881
Energy: 1.1945740998102998
Energy: 1.4303233907622392
Energy: 1.297207924987133
Energy: 1.426482579458121
Energy: 1.2242480623276086
Energy: 1.4264825794594205
Energy: 1.1950835358059178
Energy: 1.1967409288722424
Energy: 1.2963502346762306
Energy: 1.1967409288741913
Energy: 1.1953400481322485
Energy: 1.1986384227902336
Energy: 1.1898832882039019
Energy: 1.1986384227882847
Energy: 1.0995065701595195
Energy: 1.124793574782798
Energy: 1.1287490776746096
Energy: 1.1247935747847468
Energy: 1.1564943694430805
Energy: 1.195976021733019
Energy: 1.130702608516437
Energy: 1.19597602173107
Energy: 1.1327273266426876
Energy: 1.1324665852521474
Energy: 1.2065609846127812
Energy: 1.1324665852495488
Energy: 1.1947014243349086
Energy: 1.196880264208132
Energy: 1.2985803294628113
Energy: 1.1968802642061829
Energy: 1.2011477042296639
Energy: 1.1948191681751974
Energy: 1.1959056900320062
Energy: 1.1948191681764968
Energy: 1.1277493947890096
Energy: 1.1973782560138155
Energy: 1.195678423183272
Energy: 1.1973782560177135
Energy: 1.194398899861773
Energy: 1.5079214234895348
Energy: 1.2036332032563961
Energy: 1.507921423490834
Energy: 1.3075578405513197
Energy: 1.4261894270291606
Energy: 1.2862749947138263
Energy: 1.4261894270298103
Energy: 1.2049078245934528
Energy: 1.5256461235233694
Energy: 1.0935458653744412
Energy: 1.525646123520121
Energy: 1.1997539374406172
Energy: 1.5240829328254106
Energy: 1.3022920213948146
Energy: 1.5240829328273597
Energy: 1.2908146402442937
Energy: 1.4302152424930108
Energy: 1.195188559767762
Energy: 1.4302152424891128
Energy: 1.2963529106409326
Energy: 1.4251828599541003
Energy: 1.1983795933459764
Energy: 1.4251828599515017
Energy: 1.1976718644057698
Energy: 1.1986367023799127
Energy: 1.2968286931038782
Energy: 1.1986367023805622
Energy: 1.19442859569255
Energy: 1.1982991160867453
Energy: 1.1893249535448802
Energy: 1.1982991160899936
Energy: 1.0984075847830208
Energy: 1.1248336782585386
Energy: 1.12776181294083
Energy: 1.1248336782585386

minimum gb energy = 1.0935458653744412 eV
minimum distance =  2.60553425367221 Angstroms
sigma value = 25


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

Energy: 2.466969880864863
Energy: 1.2470340883165851
Energy: 1.2474539538337166
Energy: 1.2470340883165851
Energy: 1.2939495542462736
Energy: 1.3090742226046586
Energy: 1.2161170662834087
Energy: 1.3090742226039032
Energy: 1.20896796708726
Energy: 1.2088776712548912
Energy: 1.3043934393924048
Energy: 1.2088776712556464
Energy: 1.208424423593283
Energy: 1.2958509038950439
Energy: 1.2172117798222621
Energy: 1.2958509038973094
Energy: 1.2010311630175345
Energy: 1.2959704581632243
Energy: 1.2941652147822686
Energy: 1.295970458161714
Energy: 1.2932644476286395
Energy: 1.5674762236597144
Energy: 1.2940767102678796
Energy: 1.56747622366198
Energy: 1.2932214538188422
Energy: 1.6251743042857114
Energy: 1.296527547483055
Energy: 1.6251743042864666
Energy: 1.4264810389768359
Energy: 1.5526724710436113
Energy: 1.3768653997723868
Energy: 1.5526724710443665
Energy: 1.2931386451670697
Energy: 1.623791676958976
Energy: 1.1749981689032043
Energy: 1.6237916769582208
Energy: 1.3094406840745676
Energy: 1.62358701602066
Energy: 1.396035382473502
Energy: 1.623587016021415
Energy: 1.3810524234866035
Energy: 1.295434047298265
Energy: 1.293589894452559
Energy: 1.2954340472975099
Energy: 1.2812169328971519
Energy: 1.2950701442251698
Energy: 1.294791467466181
Energy: 1.2950701442251698
Energy: 1.2125064311009401
Energy: 1.2083450530279616
Energy: 1.3907199807547796
Energy: 1.2083450530272069
Energy: 1.2161114398485553
Energy: 1.2093608148446091
Energy: 1.2394802781626946
Energy: 1.2093608148446091
Energy: 1.3012109358130293
Energy: 1.2168349857556973
Energy: 1.2188274745825134
Energy: 1.2168349857549419
Energy: 1.4097206497876076
Energy: 1.2940428812805334
Energy: 1.293836265336498
Energy: 1.2940428812790232
Energy: 1.2956203880878485
Energy: 1.2944035046285842
Energy: 1.1976460122534038
Energy: 1.2944035046285842
Energy: 1.2953896522160766
Energy: 1.2952233965188604
Energy: 1.2109302777131927
Energy: 1.2952233965181053
Energy: 1.2962556750476026
Energy: 1.6331738493833128
Energy: 1.2934762949549223
Energy: 1.6331738493840677
Energy: 1.2849620667534611
Energy: 1.627598467521587
Energy: 1.2938528084683185
Energy: 1.627598467521587
Energy: 1.1728740499033417
Energy: 1.6240310306668844
Energy: 1.2925436514395994
Energy: 1.6240310306668844
Energy: 1.3012790325014811
Energy: 1.6254773534684563
Energy: 1.4145321027972346
Energy: 1.6254773534692115
Energy: 1.2955680352316425
Energy: 1.2960781053316248
Energy: 1.3794546362558309
Energy: 1.2960781053331352
Energy: 1.2939785933830128
Energy: 1.2951261909943064
Energy: 1.280932207520535
Energy: 1.295126190993551
Energy: 1.178745808337061
Energy: 1.2076953362104863
Energy: 1.2098134075243026
Energy: 1.2076953362112417

minimum gb energy = 1.1728740499033417 eV
minimum distance =  2.60359070284063 Angstroms
sigma value = 9


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

Energy: 1.5135801888706224
Energy: 1.3054927788154447
Energy: 1.3535581953906675
Energy: 1.3054927788145436
Energy: 1.3192525107241444
Energy: 1.415452102286019
Energy: 1.3189551352089524
Energy: 1.415452102286019
Energy: 1.306847930820646
Energy: 1.3054207175554025
Energy: 1.4252920883914042
Energy: 1.3054207175572041
Energy: 1.3048991859348409
Energy: 1.42161115775109
Energy: 1.4478061046283202
Energy: 1.42161115775109
Energy: 1.547725740892693
Energy: 1.4211947354056167
Energy: 1.4204533423157963
Energy: 1.4211947354074186
Energy: 1.536313770745997
Energy: 1.7604954794457515
Energy: 1.4200774075545883
Energy: 1.7604954794448504
Energy: 1.5682149847848428
Energy: 1.7582693489232466
Energy: 1.5399994976155926
Energy: 1.7582693489223455
Energy: 1.4486621146193093
Energy: 1.7648850401569682
Energy: 1.5311825818343672
Energy: 1.764885040159671
Energy: 1.4197816585111684
Energy: 1.4208313722858406
Energy: 1.264870762079957
Energy: 1.4208313722876427
Energy: 1.4203282911123174
Energy: 1.4222009751368183
Energy: 1.382689400691019
Energy: 1.4222009751359175
Energy: 1.3939453582038932
Energy: 1.3054706169202548
Energy: 1.3059698875538386
Energy: 1.305470616918453
Energy: 1.4656118571592451
Energy: 1.3046564761807502
Energy: 1.3198899905486035
Energy: 1.3046564761807502
Energy: 1.3220128274884932
Energy: 1.3048613307567005
Energy: 1.4265346780212529
Energy: 1.3048613307567005
Energy: 1.3040976390486219
Energy: 1.4274406693287236
Energy: 1.4238263077462971
Energy: 1.4274406693314263
Energy: 1.4491248462047803
Energy: 1.5325983082554018
Energy: 1.4205773878117873
Energy: 1.5325983082545012
Energy: 1.5312221613170913
Energy: 1.420482062894686
Energy: 1.4208658886922882
Energy: 1.4204820628910821
Energy: 1.564446242998226
Energy: 1.7636267471927534
Energy: 1.5401706601296317
Energy: 1.7636267471927534
Energy: 1.5654642965656513
Energy: 1.7607850979748323
Energy: 1.5323871077683637
Energy: 1.7607850979757331
Energy: 1.420516206659769
Energy: 1.4209944601303308
Energy: 1.3817873908370697
Energy: 1.4209944601312317
Energy: 1.4197059906336194
Energy: 1.4209531127071584
Energy: 1.3822624689995133
Energy: 1.4209531127071584
Energy: 1.2716522198141795
Energy: 1.3059732283399585
Energy: 1.3065995833490982
Energy: 1.3059732283390577

minimum gb energy = 1.264870762079957 eV
minimum distance =  2.6002969225571 Angstroms
sigma value = 25


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

Energy: 1.7949183452664905
Energy: 1.451048366669948
Energy: 1.5165778943305863
Energy: 1.4510483666744047
Energy: 1.465539792968724
Energy: 1.5054237780728559
Energy: 1.465606447916935
Energy: 1.5054237780717419
Energy: 1.45154055725462
Energy: 1.44982385069939
Energy: 1.456855248019729
Energy: 1.449823850698276
Energy: 1.4488699082884238
Energy: 1.5061984101718506
Energy: 1.4319538971981527
Energy: 1.5061984101718506
Energy: 1.5893971263806659
Energy: 1.679936228199663
Energy: 1.433035842386862
Energy: 1.679936228199663
Energy: 1.3978520277545927
Energy: 1.6792331366284379
Energy: 1.4326967813951277
Energy: 1.6792331366273237
Energy: 1.392996606006137
Energy: 1.6793810952308978
Energy: 1.586751104255138
Energy: 1.6793810952308978
Energy: 1.3938352065784152
Energy: 1.6796468962029854
Energy: 1.4360093510567098
Energy: 1.6796468962040996
Energy: 1.4514360124559447
Energy: 1.4507790997193666
Energy: 1.4968673075517607
Energy: 1.4507790997204808
Energy: 1.4655705328795334
Energy: 1.4510539752641105
Energy: 1.460787068268025
Energy: 1.4510539752641105
Energy: 1.4560007588981942
Energy: 1.4493673488259695
Energy: 1.468612003771444
Energy: 1.4493673488248553
Energy: 1.4560119833040568
Energy: 1.4495067646932474
Energy: 1.450853799625228
Energy: 1.4495067646932474
Energy: 1.4326208633498603
Energy: 1.687990238272722
Energy: 1.5900739847398297
Energy: 1.687990238271608
Energy: 1.4334411928477024
Energy: 1.6796751119501026
Energy: 1.3985752355173824
Energy: 1.6796751119501026
Energy: 1.58804812692486
Energy: 1.678833791192594
Energy: 1.3935721382354516
Energy: 1.678833791192594
Energy: 1.4329389140306434
Energy: 1.6788207383887779
Energy: 1.3934866823231102
Energy: 1.6788207383887779
Energy: 1.4957842819232987
Energy: 1.4502614231380024
Energy: 1.449640110221013
Energy: 1.4502614231380024

minimum gb energy = 1.392996606006137 eV
minimum distance =  2.61096314277743 Angstroms
sigma value = 17


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

Energy: 2.722665105276966
Energy: 1.5539272858283342
Energy: 1.631554671106628
Energy: 1.5539272858308582
Energy: 1.6349011220915903
Energy: 1.48772131590815
Energy: 1.5784326532366555
Energy: 1.4877213159094118
Energy: 1.488093933825817
Energy: 1.4881126288092283
Energy: 1.5546210640591052
Energy: 1.4881126288104902
Energy: 1.488190749014305
Energy: 1.7919743396189733
Energy: 1.486764485882519
Energy: 1.7919743396189733
Energy: 1.6160276060206227
Energy: 1.8677321144827663
Energy: 1.6869748582242907
Energy: 1.8677321144827663
Energy: 1.489922694695392
Energy: 1.871185882592238
Energy: 1.6170723494602248
Energy: 1.871185882592238
Energy: 1.5135023396889613
Energy: 1.4868514705708287
Energy: 1.490804421570001
Energy: 1.4868514705714597
Energy: 1.5854792152099453
Energy: 1.4865082688709506
Energy: 1.5230544820399623
Energy: 1.4865082688728435
Energy: 1.5788517116077383
Energy: 1.5505268407267674
Energy: 1.5598432887086706
Energy: 1.5505268407280295
Energy: 1.55239494182403
Energy: 1.5503109929516385
Energy: 1.5847128374657868
Energy: 1.5503109929522694
Energy: 1.6177688161803034
Energy: 1.5843337377313895
Energy: 1.490670475898721
Energy: 1.5843337376802786
Energy: 1.5504825142505836
Energy: 1.5807206600962938
Energy: 1.57746730192259
Energy: 1.5807206600969248
Energy: 1.5094614637993264
Energy: 1.6609862909667947
Energy: 1.5787474390459628
Energy: 1.6609862909667947
Energy: 1.5093201948972457
Energy: 1.5808776922368193
Energy: 1.48949250839107
Energy: 1.5808776922380814
Energy: 1.549963167163821
Energy: 1.548761012688302
Energy: 1.5916186815391458
Energy: 1.5487610126864089
Energy: 1.5804764969684364
Energy: 1.5491407724458393
Energy: 1.5919140578737987
Energy: 1.5491407724426842
Energy: 1.554775225331019
Energy: 1.4874066597694975
Energy: 1.522985832386387
Energy: 1.4874066597694975
Energy: 1.554741543073514
Energy: 1.48736460784517
Energy: 1.4876118366459985
Energy: 1.4873646078439082
Energy: 1.48676149073267
Energy: 1.8677693352138176
Energy: 1.6188432023364925
Energy: 1.8677693352138176
Energy: 1.6949324193071802
Energy: 1.8717455725626932
Energy: 1.618037422644417
Energy: 1.871745572563324
Energy: 1.4875845790860656
Energy: 1.4871278949495865
Energy: 1.5851567556643433
Energy: 1.4871278949502176
Energy: 1.5229289901115064
Energy: 1.5213288170647
Energy: 1.513692768667935
Energy: 1.521328817065331
Energy: 1.5357421371581008
Energy: 1.550083536040888
Energy: 1.5801380057820515
Energy: 1.5500835360402572
Energy: 1.5595154295396851
Energy: 1.5503195790785844
Energy: 1.5508225260069806
Energy: 1.5503195790785844
Energy: 1.579847227981837
Energy: 1.580075591319153
Energy: 1.5506053442416454
Energy: 1.5800755913153668
Energy: 1.5776688652339914
Energy: 1.5800953632817387
Energy: 1.6208815102146579
Energy: 1.5800953632811077
Energy: 1.4884804795831528
Energy: 1.8740370023892532
Energy: 1.511473849637937
Energy: 1.874037002388622
Energy: 1.580093793685414
Energy: 1.5802798682515684
Energy: 1.5097470414005754
Energy: 1.5802798682521995
Energy: 1.5788781944167884
Energy: 1.790525707753724
Energy: 1.509610027517644
Energy: 1.7905257077549859
Energy: 1.5921853456400856
Energy: 1.5496998435853873
Energy: 1.5491228725022168
Energy: 1.5496998435853873

minimum gb energy = 1.4865082688709506 eV
minimum distance =  2.61201677218789 Angstroms
sigma value = 53


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

Energy: 2.463704024045595
Energy: 1.5420781401460648
Energy: 1.5407650290834884
Energy: 1.5420781401475174
Energy: 1.5436993151381442
Energy: 1.540733944551685
Energy: 1.5445394795519614
Energy: 1.5407339445545902
Energy: 1.5413025418483586
Energy: 1.5424348807506247
Energy: 1.5686206777008975
Energy: 1.5424348807520774
Energy: 1.5434140278883917
Energy: 1.5676699074025788
Energy: 1.5413357574030713
Energy: 1.5676699074025788
Energy: 1.5663097822245706
Energy: 1.5666721299176598
Energy: 1.468824469303885
Energy: 1.5666721299176598
Energy: 1.5404359759076065
Energy: 1.5684289114049454
Energy: 1.4690115438627152
Energy: 1.5684289114049454
Energy: 1.596459493688098
Energy: 1.5404846975430784
Energy: 1.545538159762751
Energy: 1.5404846975430784
Energy: 1.5970767695212904
Energy: 1.5411959567587077
Energy: 1.5401064059972613
Energy: 1.5411959567587077
Energy: 1.5434017486057998
Energy: 1.5414164770891468
Energy: 1.571136751462213
Energy: 1.5414164770876941
Energy: 1.542196439239763
Energy: 1.540355189421238
Energy: 1.5414191142278442
Energy: 1.5403551894197853
Energy: 1.5662659613494785
Energy: 1.5691963792239776
Energy: 1.4690290936039667
Energy: 1.5691963792268828
Energy: 1.542714184821893
Energy: 1.5666944594367145
Energy: 1.4728603601850405
Energy: 1.5666944594352619
Energy: 1.597145883039247
Energy: 1.5402864265350253
Energy: 1.5403191503649414
Energy: 1.5402864265335725

minimum gb energy = 1.468824469303885 eV
minimum distance =  2.61369458153686 Angstroms
sigma value = 9


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

Energy: 1.713642477435239
Energy: 1.6046472437708448
Energy: 1.736358682166593
Energy: 1.6046472434930232
Energy: 1.6321600017232856
Energy: 1.5492528321685608
Energy: 1.720414632628376
Energy: 1.5492528321685608
Energy: 1.5504443110699746
Energy: 1.5514752101057563
Energy: 1.6038820228786856
Energy: 1.5514752101057563
Energy: 1.5556807198426243
Energy: 1.5515961321165725
Energy: 1.6529676487277933
Energy: 1.5515961321160836
Energy: 1.5535535107915306
Energy: 1.5497131320101576
Energy: 1.6518354524514696
Energy: 1.5497131320090825
Energy: 1.626933084784328
Energy: 1.5497807258546585
Energy: 1.6512097905777017
Energy: 1.5497807258541696
Energy: 1.7171807377880601
Energy: 1.6015490040518867
Energy: 1.7115180143972628
Energy: 1.6015490040513
Energy: 1.7174061543984978
Energy: 1.6020591533640463
Energy: 1.6033340802678007
Energy: 1.6020591533656106
Energy: 1.53305000250265
Energy: 2.047630635628615
Energy: 1.5903207349911859
Energy: 2.0476306356280287
Energy: 1.5894340098194277
Energy: 1.8018703013359068
Energy: 1.606173750033555
Energy: 1.8018703013374708
Energy: 1.5288598302294996
Energy: 1.5282838901911955
Energy: 1.7611302164070435
Energy: 1.528283890192271
Energy: 1.7392994284107668
Energy: 1.6056390155074056
Energy: 1.6566982710002682
Energy: 1.6056390155052551
Energy: 1.7130526677718063
Energy: 1.529269614239315
Energy: 1.757728397216729
Energy: 1.5292696142388262
Energy: 1.7126198609408476
Energy: 1.5302584175665508
Energy: 1.534549855489199
Energy: 1.5302584175665508
Energy: 1.6001182520169155
Energy: 1.8026958483770104
Energy: 1.5840941042912118
Energy: 1.802695848379161
Energy: 1.547078275486568
Energy: 1.837620159278117
Energy: 1.5840230716816441
Energy: 1.8376201592759662
Energy: 1.608399882776763
Energy: 1.8397858299345913
Energy: 1.533576875083417
Energy: 1.8397858299259888
Energy: 1.6001815163040387
Energy: 1.6027449833815848
Energy: 1.661606497090835
Energy: 1.6027449833858858
Energy: 1.7168858884350828
Energy: 1.645224990255589
Energy: 1.7382237390205517
Energy: 1.6452249902577398
Energy: 1.6051133493053302
Energy: 1.5543404566028018
Energy: 1.552064044262814
Energy: 1.554340456603877
Energy: 1.7037767053278539
Energy: 1.551086993071171
Energy: 1.5552982187834299
Energy: 1.551086993071171
Energy: 1.651880530387899
Energy: 1.5494524083243726
Energy: 1.550989709509922
Energy: 1.5494524083243726
Energy: 1.651731403145751
Energy: 1.5547925228701387
Energy: 1.6260267313710866
Energy: 1.5547925228701387
Energy: 1.7104453988305128
Energy: 1.6017198435602273
Energy: 1.7172756314183855
Energy: 1.6017198435597384
Energy: 1.6024364322333995
Energy: 1.601952554986992
Energy: 1.717938439125261
Energy: 1.6019525549875786
Energy: 1.5882070707742555
Energy: 2.0419003294424547
Energy: 1.5312794726480972
Energy: 2.0419003294424547
Energy: 1.6090710446868426
Energy: 1.8014823934194
Energy: 1.5887350513242628
Energy: 1.8014823934231146
Energy: 1.760877273122697
Energy: 1.5287313556302944
Energy: 1.5305276506085923
Energy: 1.5287313556302944
Energy: 1.6575452923748388
Energy: 1.5491382198831356
Energy: 1.5885999080313322
Energy: 1.5491382198825494
Energy: 1.7602701188849699
Energy: 1.5296639753417964
Energy: 1.7128550642699145
Energy: 1.5296639753396457
Energy: 1.5352666851528973
Energy: 1.5309195431537261
Energy: 1.6072724548784303
Energy: 1.5309195431542149
Energy: 1.5303606254215338
Energy: 1.7742681060217855
Energy: 1.6014521764719811
Energy: 1.774268106024425
Energy: 1.5853356604634323
Energy: 1.8358272800665731
Energy: 1.5466865364592275
Energy: 1.8358272800671596
Energy: 1.5315474218211418
Energy: 2.049833627637293
Energy: 1.55710785445909
Energy: 2.04983362763788
Energy: 1.6610247803484286
Energy: 1.6022365586602874
Energy: 1.6112303515122641
Energy: 1.6022365586581369

minimum gb energy = 1.5282838901911955 eV
minimum distance =  2.63028067071701 Angstroms
sigma value = 73


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

Energy: 1.6699188532545024
Energy: 1.5500486186542541
Energy: 1.552384456963268
Energy: 1.5500486186559606
Energy: 1.631946955075028
Energy: 1.7966029625939641
Energy: 1.6902581652098985
Energy: 1.796602962594817
Energy: 1.545522695576138
Energy: 1.7977303758660017
Energy: 1.573919383121135
Energy: 1.797730375867708
Energy: 1.54984486746863
Energy: 1.5508208093307905
Energy: 1.6117422822352077
Energy: 1.5508208093316436
Energy: 1.5580044565218605
Energy: 1.5580771778979894
Energy: 1.6553876188754928
Energy: 1.5580771778979894
Energy: 1.5836601757501079
Energy: 1.8863561679910323
Energy: 1.6556319200357683
Energy: 1.8863561679910323
Energy: 1.7342691872113438
Energy: 1.5841137435791752
Energy: 1.6555030058136315
Energy: 1.5841137435774693
Energy: 1.7340284809113296
Energy: 1.5826156044859145
Energy: 1.58418108534991
Energy: 1.5826156044850614
Energy: 1.5546147029693833
Energy: 2.042464767408253
Energy: 1.5849831811146105
Energy: 2.0424647674073997
Energy: 1.5885411879555462
Energy: 1.8377354188185562
Energy: 1.5864269048278836
Energy: 1.8377354188185562
Energy: 1.5571714783367554
Energy: 1.4707858672473697
Energy: 1.7444690546737207
Energy: 1.470785867249076
Energy: 1.6930801672091895
Energy: 1.473501102193156
Energy: 1.6092531315749408
Energy: 1.473501102193156
Energy: 1.5744446653506563
Energy: 1.7855114265831715
Energy: 1.713949864118447
Energy: 1.7855114265831715
Energy: 1.5747791719622566
Energy: 1.6844046492636313
Energy: 1.5307002751401526
Energy: 1.6844046492627782
Energy: 1.613869450849057
Energy: 1.7624886194802931
Energy: 1.535463498894258
Energy: 1.7624886194802931
Energy: 1.6556120347960368
Energy: 1.5870727083382137
Energy: 1.5848566260183765
Energy: 1.5870727083373606
Energy: 1.6558399816070748
Energy: 1.9139092812689273
Energy: 1.5897114295985741
Energy: 1.9139092812689273
Energy: 1.6577816550896216
Energy: 1.650008157921394
Energy: 1.7349354466390665
Energy: 1.650008157921394
Energy: 1.5607409467071172
Energy: 1.5582722570964966
Energy: 1.7340900102864576
Energy: 1.5582722570964966
Energy: 1.6332491202839554
Energy: 1.925210520506585
Energy: 1.5496606086735805
Energy: 1.9252105205074381
Energy: 1.5575230909365354
Energy: 1.8618984358165889
Energy: 1.5892627702969722
Energy: 1.8618984358182948
Energy: 1.6688071124103239
Energy: 1.5501232072070426
Energy: 1.5533843195011785
Energy: 1.5501232072087485

minimum gb energy = 1.4707858672473697 eV
minimum distance =  2.61375382888728 Angstroms
sigma value = 7


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

Energy: 1.822735178436417
Energy: 1.55510323569109
Energy: 1.5527726061646556
Energy: 1.5551032359732722
Energy: 1.6001932491861468
Energy: 1.8590498796282429
Energy: 1.6710043716856648
Energy: 1.8590498796252268
Energy: 1.5292936916224464
Energy: 1.8643377531513747
Energy: 1.645099325205909
Energy: 1.8643377531513747
Energy: 1.5293527952084338
Energy: 1.530531179644335
Energy: 1.6713935710831267
Energy: 1.5305311796437318
Energy: 1.5237172703218769
Energy: 1.5192215045697721
Energy: 1.6091957232872496
Energy: 1.5192215045667563
Energy: 1.7219145861603797
Energy: 1.5183338942846523
Energy: 1.6166603758683296
Energy: 1.5183338942882714
Energy: 1.6737580359107869
Energy: 1.518669517999105
Energy: 1.71950558691219
Energy: 1.5186695179978988
Energy: 1.673831081001569
Energy: 1.518732899036443
Energy: 1.5192189698281808
Energy: 1.5187328990328237
Energy: 1.6725172925827434
Energy: 1.59452930142709
Energy: 1.5952091373094222
Energy: 1.5945293014264867
Energy: 1.6033163831499804
Energy: 1.8653792768840827
Energy: 1.521200291759409
Energy: 1.8653792771300737
Energy: 1.6717392531166533
Energy: 1.550758724894556
Energy: 1.721154262249014
Energy: 1.5507587248963657
Energy: 1.5506287078892915
Energy: 1.5525028247090518
Energy: 1.6795585557980097
Energy: 1.5525028247102584
Energy: 1.5576401293270514
Energy: 1.8117975694901323
Energy: 1.5546651164774168
Energy: 1.811797569492545
Energy: 1.6395829195404015
Energy: 1.725925073907331
Energy: 1.6547050680486608
Energy: 1.7259250739085374
Energy: 1.554756490641686
Energy: 1.811936259115221
Energy: 1.5022182665304207
Energy: 1.811936259118237
Energy: 1.7368490626020352
Energy: 1.5525963397670723
Energy: 1.548794343170995
Energy: 1.5525963397682787
Energy: 1.7364370538381877
Energy: 1.5492677495978793
Energy: 1.6723648885698061
Energy: 1.5492677495942604
Energy: 1.5226767858324874
Energy: 1.8667492473712917
Energy: 1.646621710280703
Energy: 1.8667492473749108
Energy: 1.5948551790614816
Energy: 1.5949590676800378
Energy: 1.6741117756358896
Energy: 1.5949590676782284
Energy: 1.5183612962750868
Energy: 1.5179569125396823
Energy: 1.731935420802565
Energy: 1.517956912541492
Energy: 1.7188197269412284
Energy: 1.5191473078851099
Energy: 1.6091503974903885
Energy: 1.5191473078881257
Energy: 1.6741557122654462
Energy: 1.5181942693981814
Energy: 1.7220503351190133
Energy: 1.5181942693945623
Energy: 1.6740316353505926
Energy: 1.519216611625206
Energy: 1.5212872192386984
Energy: 1.519216611625809
Energy: 1.72408149422654
Energy: 1.5951630461111912
Energy: 1.59894459732947
Energy: 1.595163046110588
Energy: 1.6029271797298597
Energy: 1.8642511118582155
Energy: 1.5223774408432251
Energy: 1.8642511118558025
Energy: 1.6076237240551008
Energy: 1.8109817224604206
Energy: 1.6001457106425552
Energy: 1.8109817224568014
Energy: 1.5492214300202307
Energy: 1.5539147995905915
Energy: 2.474901354767316
Energy: 1.553914799591798
Energy: 1.5532544067358927
Energy: 1.8120625474323542
Energy: 1.5488918165832186
Energy: 1.812062547427529
Energy: 1.6439326999327897
Energy: 1.8816185796739382
Energy: 1.5575109248504304
Energy: 1.8816185796763512
Energy: 1.5506464831494529
Energy: 1.881195721761557
Energy: 1.6541812783984677
Energy: 1.8811957217651762
Energy: 1.736484291715306
Energy: 1.5502797804061352
Energy: 1.5560235391139017
Energy: 1.550279780407945

minimum gb energy = 1.5022182665304207 eV
minimum distance =  2.62531303366062 Angstroms
sigma value = 29


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

Energy: 1.5941820109215372
Energy: 1.815944070500588
Energy: 1.414753402835848
Energy: 1.815944070500588
Energy: 1.4137242309981202
Energy: 1.5131130811091784
Energy: 1.412344185124135
Energy: 1.5131130811091784
Energy: 1.4143138971996947
Energy: 1.5123594456911988
Energy: 1.51089744715871
Energy: 1.5123594456911988
Energy: 1.4143933492330174
Energy: 1.414970956969481
Energy: 1.4136509898832266
Energy: 1.414970956969481
Energy: 1.4149132025324909
Energy: 1.4135231901526286
Energy: 1.4085434547827682
Energy: 1.4135231901526286
Energy: 1.414245198761384
Energy: 1.5140906968571537
Energy: 1.4153969239387105
Energy: 1.5140906968571537
Energy: 1.51216199860892
Energy: 1.5121284446644714
Energy: 1.412863942095072
Energy: 1.5121284446644714
Energy: 1.412359885956412
Energy: 1.4164485212711075
Energy: 1.4117265783382695
Energy: 1.4164485212711075
Energy: 1.4096688332783913
Energy: 1.5069691344942808
Energy: 1.5070181386553452
Energy: 1.506969134496335

minimum gb energy = 1.4085434547827682 eV
minimum distance =  2.58717609688341 Angstroms
sigma value = 5


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

Energy: 1.842740304597358
Energy: 1.4219165376166787
Energy: 1.4227255179896656
Energy: 1.4219165359081054
Energy: 1.7741588907266073
Energy: 1.4149685019909062
Energy: 1.6247850021729138
Energy: 1.4149685019903362
Energy: 1.6250381932653968
Energy: 1.7756577423733377
Energy: 1.633048654720898
Energy: 1.7756577423739077
Energy: 1.5184351681711514
Energy: 1.4648260954172803
Energy: 1.765731012171716
Energy: 1.4648260954184198
Energy: 1.628917628045988
Energy: 1.4172938450682697
Energy: 1.7778878767111828
Energy: 1.4172938450677
Energy: 1.4205531946346686
Energy: 1.417582180984183
Energy: 1.7754961879429987
Energy: 1.4175821809847526
Energy: 1.4809525121146305
Energy: 1.4811827099463912
Energy: 1.7647331625404745
Energy: 1.4811827099469608
Energy: 1.415993012700379
Energy: 1.4162259834613125
Energy: 1.8155152056327435
Energy: 1.416225983463022
Energy: 1.7165701157626596
Energy: 1.7163841557336401
Energy: 1.8180995657616883
Energy: 1.7163841557336401
Energy: 1.6866259228167704
Energy: 1.4085267374512465
Energy: 1.4112367564394075
Energy: 1.4085267374501067
Energy: 1.714956911078165
Energy: 1.4221989030659608
Energy: 1.4217966399894773
Energy: 1.4221989030659608
Energy: 1.822814256894615
Energy: 1.422824307415313
Energy: 1.4244993937410673
Energy: 1.422824307415313
Energy: 1.8300141675989197
Energy: 1.40459231893987
Energy: 1.7669983350333769
Energy: 1.4045923189387304
Energy: 1.7129820038840546
Energy: 1.4755170829725877
Energy: 1.6327852443775825
Energy: 1.4755170829703086
Energy: 1.4406264279779517
Energy: 1.438849467884955
Energy: 1.628136487113026
Energy: 1.4388494678855248
Energy: 1.4159827216118779
Energy: 1.415431081349144
Energy: 1.770528836371319
Energy: 1.415431081348574
Energy: 1.4150702646467603
Energy: 1.4224569246700496
Energy: 1.7128493378424952
Energy: 1.42245692466891
Energy: 1.623796561208853
Energy: 1.4145831022456685
Energy: 1.7221618071550908
Energy: 1.4145831022456685
Energy: 1.6785533734510123
Energy: 1.4661007795918701
Energy: 1.6235583679700902
Energy: 1.46610077959244
Energy: 1.6262946291719247
Energy: 1.4651270135064927
Energy: 1.5183641115547097
Energy: 1.465127013505923
Energy: 1.773927751606147
Energy: 1.416440501888021
Energy: 1.6265816145090646
Energy: 1.4164405018891608
Energy: 1.7792499817054834
Energy: 1.4176773318359879
Energy: 1.4236992241222786
Energy: 1.4176773318371276
Energy: 1.766505795897152
Energy: 1.4819426855275926
Energy: 1.420107272311227
Energy: 1.4819426855270226
Energy: 1.8272785962488662
Energy: 1.4164579702570805
Energy: 1.4154017436892112
Energy: 1.4164579702576503
Energy: 1.8212615394467329
Energy: 1.4764829320986377
Energy: 1.7153522699759352
Energy: 1.4764829320923702
Energy: 1.4136690196550554
Energy: 1.4061240409555529
Energy: 1.687876590286165
Energy: 1.4061240409549833
Energy: 1.4212536021683386
Energy: 1.4215662211394617
Energy: 1.715867227128888
Energy: 1.4215662211388918
Energy: 1.4221952208467097
Energy: 1.4210881450217419
Energy: 1.717761402603376
Energy: 1.4210881450217419
Energy: 1.7249887994982633
Energy: 1.4050266639968416
Energy: 1.8310736285437998
Energy: 1.405026663995754
Energy: 1.6307494004073901
Energy: 1.475997717034869
Energy: 1.7138397330648303
Energy: 1.475997717034869
Energy: 1.6310900263853088
Energy: 1.4171484159996544
Energy: 1.4167698281270806
Energy: 1.417148416000224
Energy: 1.7683461437175905
Energy: 1.4182965313905216
Energy: 1.4183223106084104
Energy: 1.4182965313899518
Energy: 1.7128777546702987
Energy: 1.4205561160187818
Energy: 1.4146915258765327
Energy: 1.4205561160187818

minimum gb energy = 1.4045923189387304 eV
minimum distance =  2.6414804126922 Angstroms
sigma value = 1


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

Energy: 1.9394728273900317
Energy: 1.3554768933424588
Energy: 1.6159939627137958
Energy: 1.355476893417266
Energy: 1.8395523208351703
Energy: 1.3493357004260376
Energy: 1.6351056464386566
Energy: 1.3493357004268256
Energy: 1.6348369065796826
Energy: 1.4930210179779928
Energy: 1.6333071825010181
Energy: 1.4930210179779928
Energy: 1.422863342597809
Energy: 1.3841650022525929
Energy: 1.6400417331001769
Energy: 1.3841650022549563
Energy: 1.6404125858895182
Energy: 1.35237014653383
Energy: 1.8442525828771468
Energy: 1.3523701465361933
Energy: 1.3502934992586522
Energy: 1.3531282764991148
Energy: 1.8447215555179994
Energy: 1.3531282764991148
Energy: 1.3812139591042762
Energy: 1.3816718950543512
Energy: 1.839990534662266
Energy: 1.3816718950559264
Energy: 1.350073435275817
Energy: 1.7334954495736792
Energy: 1.904387929864135
Energy: 1.7334954495728914
Energy: 1.8425340003770678
Energy: 1.436237950726305
Energy: 1.9090048569629339
Energy: 1.4362379507247292
Energy: 1.6820099775295654
Energy: 1.3504952689304526
Energy: 1.3514383663944882
Energy: 1.3504952689320284
Energy: 1.840235846872816
Energy: 1.381350534887122
Energy: 1.3804135578812298
Energy: 1.3813505348886976
Energy: 1.9135016890238057
Energy: 1.3516973017575575
Energy: 1.353411444415432
Energy: 1.3516973017583453
Energy: 1.9093117201068408
Energy: 1.3532427276266783
Energy: 1.6335137465255432
Energy: 1.3532427276258905
Energy: 1.8416520010724036
Energy: 1.3835302156312415
Energy: 1.6404505942409287
Energy: 1.3835302156328169
Energy: 1.3645842392948673
Energy: 1.4925287068413657
Energy: 1.6363999424427214
Energy: 1.4925287068429411
Energy: 1.3642622402632598
Energy: 1.7395224058946646
Energy: 1.8460829652281647
Energy: 1.7395224058962402
Energy: 1.3630859137188276
Energy: 1.3818051723684694
Energy: 1.8440920582807345
Energy: 1.381805172366894
Energy: 1.3503981057663514
Energy: 1.3497599496283361
Energy: 1.8462107418286284
Energy: 1.3497599496283361
Energy: 1.3812955990777576
Energy: 1.3815813953043503
Energy: 1.9072689272712986
Energy: 1.3815813953035623
Energy: 1.3560648424228137
Energy: 1.4385341729338346
Energy: 1.9050552174967808
Energy: 1.4385341729354104
Energy: 1.6412381521738093
Energy: 1.3827926790003442
Energy: 1.8402712082524286
Energy: 1.3827926082563629
Energy: 1.6445406008085786
Energy: 1.3511239355921725
Energy: 1.3547980697786732
Energy: 1.3511239355921725
Energy: 1.8417083322751329
Energy: 1.3837929184173066
Energy: 1.3521859160859677
Energy: 1.3837929184204578
Energy: 1.9097209078398478
Energy: 1.3539559333485078
Energy: 1.3542242367662587
Energy: 1.3539559333461444

minimum gb energy = 1.3493357004260376 eV
minimum distance =  2.62923075862306 Angstroms
sigma value = 17


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

Energy: 2.0463020667725393
Energy: 1.3745430553365239
Energy: 1.6409227817421772
Energy: 1.3745430818481272
Energy: 1.83366185443583
Energy: 1.3417948627088527
Energy: 1.5240674369947447
Energy: 1.3417948627039833
Energy: 1.6908410005626682
Energy: 1.3624810446318738
Energy: 1.5301346082274392
Energy: 1.3624810446318738
Energy: 1.7014558668109327
Energy: 1.4309546002902758
Energy: 1.5331002406613046
Energy: 1.430954600285406
Energy: 1.863440907106225
Energy: 1.3316994102177662
Energy: 1.8684532980100215
Energy: 1.3316994102177662
Energy: 1.339733340786282
Energy: 1.3303992910934452
Energy: 1.9896936995424777
Energy: 1.3303992910934452
Energy: 1.331374129085102
Energy: 1.3313418809059907
Energy: 1.7825945527302645
Energy: 1.3313418809059907
Energy: 1.3329383791307317
Energy: 1.3321629112677476
Energy: 2.0394116187075664
Energy: 1.3321629112677476
Energy: 1.857522387490677
Energy: 1.333002056622486
Energy: 1.9413700824008275
Energy: 1.333002056622486
Energy: 1.5528999227255464
Energy: 1.431633794419725
Energy: 1.5288247631559613
Energy: 1.4316337944148558
Energy: 1.8585877289925519
Energy: 1.3643541420722427
Energy: 1.3894386113177333
Energy: 1.3643541420722427
Energy: 1.9886436413326005
Energy: 1.3444111953156963
Energy: 1.5281938954291718
Energy: 1.3444111953156963
Energy: 1.9945726902693444
Energy: 1.350760474667805
Energy: 1.3558677176117722
Energy: 1.350760474667805
Energy: 1.9809747092408834
Energy: 1.3632916217757662
Energy: 1.3576802609989664
Energy: 1.3632916217757662
Energy: 1.6995198569314645
Energy: 1.343992131513137
Energy: 1.3430878330356968
Energy: 1.3439921315180066
Energy: 2.031840917129475
Energy: 1.3598073300191733
Energy: 1.9796958229558907
Energy: 1.3598073300191733
Energy: 1.3497567283165752
Energy: 1.363342133183164
Energy: 1.872455624168056
Energy: 1.363342133183164
Energy: 1.3633074425003693
Energy: 1.3638212684274431
Energy: 1.9824701563772265
Energy: 1.3638212684274431
Energy: 1.3428571301789285
Energy: 1.3423903244750075
Energy: 1.9406272049904911
Energy: 1.3423903244750075
Energy: 1.5309378073923345
Energy: 1.3641748686924509
Energy: 2.0425747895727744
Energy: 1.3641748686924509
Energy: 1.5257640216835495
Energy: 1.3440893535949636
Energy: 1.8336135566474496
Energy: 1.3440893535949636
Energy: 1.528330704108605
Energy: 1.6538308949532583
Energy: 1.6930142205057874
Energy: 1.6538308949581275
Energy: 1.7847611012015439
Energy: 1.4268422576756437
Energy: 1.697525733924657
Energy: 1.426842257680513
Energy: 1.8727374967667583
Energy: 1.3305929852373826
Energy: 1.5203563924788168
Energy: 1.3305929852422518
Energy: 1.9867575311021743
Energy: 1.3336302193043843
Energy: 1.335739063770938
Energy: 1.333630219299515
Energy: 1.7817942380637097
Energy: 1.3304169982936784
Energy: 1.3298960540086187
Energy: 1.3304169982936784
Energy: 2.043929586355884
Energy: 1.333492748628306
Energy: 1.3355273438252036
Energy: 1.3334927486330868
Energy: 1.938172176632439
Energy: 1.3310330610936698
Energy: 1.8589405886556198
Energy: 1.3310330610936698
Energy: 1.5274473968629982
Energy: 1.4071609728251189
Energy: 1.550094782121119
Energy: 1.4071609728202492
Energy: 1.3901786342923312
Energy: 1.3653255911830393
Energy: 1.8612062414450072
Energy: 1.3653255911830393
Energy: 1.5297820372181605
Energy: 1.3513255745503128
Energy: 1.9903244558816133
Energy: 1.3513255745551822
Energy: 1.3503262218583973
Energy: 1.3515068661167497
Energy: 1.9917631033668974
Energy: 1.3515068661167497
Energy: 1.3633606828944813
Energy: 1.3638734969710267
Energy: 1.978910780048222
Energy: 1.3638734969710267
Energy: 1.3436570704706778
Energy: 1.3454825118524352
Energy: 1.7026930540662757
Energy: 1.3454825118524352
Energy: 1.9807905880974754
Energy: 1.3633658479504243
Energy: 2.0282267657754685
Energy: 1.3633658479504243
Energy: 1.874779559048402
Energy: 1.3451925138518916
Energy: 1.3476196191913328
Energy: 1.3451925138664997
Energy: 1.9802120526146276
Energy: 1.363617160202863
Energy: 1.3628126897951995
Energy: 1.363617160202863
Energy: 1.9434500531991317
Energy: 1.3432653405782244
Energy: 1.3456777573606684
Energy: 1.3432653405782244

minimum gb energy = 1.3298960540086187 eV
minimum distance =  2.63427952221879 Angstroms
sigma value = 89


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

Energy: 2.6787812779004097
Energy: 1.212800210679946
Energy: 1.213058520589039
Energy: 1.212800210682494
Energy: 1.6584045868154682
Energy: 1.3174219764608106
Energy: 1.6591501235085133
Energy: 1.3174219764608106
Energy: 1.2100582282525592
Energy: 1.3211182094738223
Energy: 1.6585668040604247
Energy: 1.3211182094738223
Energy: 1.2130467376898548
Energy: 1.31708492124571
Energy: 1.6584310157312236
Energy: 1.31708492124571
Energy: 1.2170151239196085
Energy: 1.2100942048061625
Energy: 1.6733509042015902
Energy: 1.2100942048074366
Energy: 1.2100327688935304
Energy: 1.2103103522623158
Energy: 1.6722486295622503
Energy: 1.2103103522623158
Energy: 1.2090028103748474
Energy: 1.2134739735162399
Energy: 1.6594726273312166
Energy: 1.213473973514966
Energy: 1.2129696193728146
Energy: 1.211127550967606
Energy: 2.1010519981152007
Energy: 1.211127550967606
Energy: 1.657920908053547
Energy: 1.210778419314743
Energy: 2.105690900005018
Energy: 1.210778419314743
Energy: 1.6693028835939463
Energy: 1.3175261219549939
Energy: 1.2180223653790114
Energy: 1.3175261219549939
Energy: 1.6596483520188121
Energy: 1.319337116744104
Energy: 1.2114341289812243
Energy: 1.319337116744104
Energy: 1.6661314379122525
Energy: 1.213184325196747
Energy: 1.216492856484973
Energy: 1.213184325196747
Energy: 1.673722068514839
Energy: 1.2105031537878748
Energy: 1.2108104325154314
Energy: 1.2105031537878748
Energy: 1.6583461858205868
Energy: 1.212751712938739
Energy: 1.2111113525857633
Energy: 1.212751712938739
Energy: 2.1015415112867792
Energy: 1.21418350327115
Energy: 1.2077701635371618
Energy: 1.21418350327115

minimum gb energy = 1.2077701635371618 eV
minimum distance =  2.62899124175736 Angstroms
sigma value = 13


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

Energy: 1.9447309360540694
Energy: 1.1234694116486614
Energy: 1.4670033575694903
Energy: 1.1234695341259462
Energy: 1.9017706470010511
Energy: 1.1211271830347995
Energy: 1.3447284346111101
Energy: 1.1211271830358676
Energy: 1.9263536027523371
Energy: 1.1176710534470218
Energy: 1.3466235593215967
Energy: 1.1176710534502259
Energy: 1.5687440820319105
Energy: 1.1213188927068034
Energy: 1.5297539312632276
Energy: 1.1213188927100075
Energy: 1.5335340693954063
Energy: 1.119067388384579
Energy: 1.74910425712951
Energy: 1.119067388382443
Energy: 1.3480982384988016
Energy: 1.1199273677967532
Energy: 1.7387472162981203
Energy: 1.1199273677946173
Energy: 1.341160049191625
Energy: 1.1185365033114436
Energy: 1.7400778222942606
Energy: 1.1185365033114436
Energy: 1.3402952064876947
Energy: 1.118763434057534
Energy: 2.137216809751702
Energy: 1.1187634340581165
Energy: 1.1270997995832386
Energy: 1.1246951215495764
Energy: 2.12425641193941
Energy: 1.1246951215457899
Energy: 1.1227557684776015
Energy: 1.1216437838061837
Energy: 2.120956061121464
Energy: 1.1216437838061837
Energy: 1.1195119129432825
Energy: 1.123143514284227
Energy: 1.9427603047533675
Energy: 1.1231435142852948
Energy: 1.7340538035571573
Energy: 1.1792329652631972
Energy: 1.9051788260598055
Energy: 1.179232965269023
Energy: 1.7435968039919487
Energy: 1.1763281729044839
Energy: 1.7331400466548195
Energy: 1.1763281729044839
Energy: 1.7404711961339074
Energy: 1.181078864894365
Energy: 1.56664975182234
Energy: 1.1810788648864035
Energy: 2.1307402434172245
Energy: 1.1222686025696782
Energy: 1.529138065850226
Energy: 1.1222686025686102
Energy: 2.1275831725525736
Energy: 1.1200332076665214
Energy: 1.127453338983551
Energy: 1.1200332076675896
Energy: 1.9016682485346017
Energy: 1.1184882049745166
Energy: 1.125566787704863
Energy: 1.1184882049729632
Energy: 1.939698198705861
Energy: 1.1228965665492467
Energy: 1.1270357415819592
Energy: 1.1228965665551696
Energy: 2.3201563774132614
Energy: 1.1185029956717998
Energy: 1.3403615494427183
Energy: 1.11850299567345
Energy: 1.9053507290485903
Energy: 1.1170890927317974
Energy: 1.3467150974073394
Energy: 1.1170890927350017
Energy: 1.572604126706517
Energy: 1.130441095828044
Energy: 1.3353018551084868
Energy: 1.130441095854259
Energy: 1.9059215255366815
Energy: 1.1170794261946748
Energy: 1.7347329834497511
Energy: 1.1170794261952572
Energy: 1.3454511355945362
Energy: 1.121400695774759
Energy: 1.7495307297706646
Energy: 1.1214006957764098
Energy: 1.1256466268859153
Energy: 1.1170102164477547
Energy: 1.9047021932333488
Energy: 1.11701021644824
Energy: 1.3366223486350848
Energy: 1.1191949834581434
Energy: 2.130890855078681
Energy: 1.1191949834586288
Energy: 1.1178568194859853
Energy: 1.1172520039116494
Energy: 2.1289267378509384
Energy: 1.1172520039116494
Energy: 1.1206792214348746
Energy: 1.117081531367331
Energy: 2.0701582367622833
Energy: 1.1170815313689817
Energy: 1.1296772358633564
Energy: 1.1219489640560487
Energy: 1.9374906000085759
Energy: 1.1219489640571165
Energy: 1.7325308146527545
Energy: 1.1181141827044585
Energy: 1.8847132304990317
Energy: 1.1181141827044585
Energy: 1.3480066395380785
Energy: 1.1807911443531995
Energy: 1.7332502085251997
Energy: 1.1807911443574715
Energy: 1.7361556864750622
Energy: 1.1841869434790002
Energy: 1.5713250790592468
Energy: 1.1841869434827867
Energy: 2.1274293769475583
Energy: 1.1194969771842032
Energy: 1.5286374334298396
Energy: 1.1194969771874073
Energy: 2.1309045580003656
Energy: 1.1223562953109487
Energy: 1.131751831936044
Energy: 1.1223562953114343
Energy: 1.903618022251631
Energy: 1.117062257909158
Energy: 1.1164859166114076
Energy: 1.1170622579076046
Energy: 2.3274871633151837
Energy: 1.119351843205898
Energy: 1.1207679184572008
Energy: 1.119351843205898

minimum gb energy = 1.1164859166114076 eV
minimum distance =  2.63253495156792 Angstroms
sigma value = 37


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

Energy: 1.9175258800433839
Energy: 0.9926842248657177
Energy: 0.9954660978208496
Energy: 0.9926842246049183
Energy: 1.7386703647693813
Energy: 0.9912842395686933
Energy: 1.3760380814585371
Energy: 0.9912842395686933
Energy: 1.8941424926010877
Energy: 0.9904569810666931
Energy: 1.369751468882417
Energy: 0.9904569810676119
Energy: 1.8936075175943088
Energy: 1.105977943893177
Energy: 1.5424025133810857
Energy: 1.105977943894096
Energy: 1.8861277429960621
Energy: 0.9802531701065955
Energy: 1.5572005305824503
Energy: 0.9802531701065955
Energy: 1.3642594487054744
Energy: 0.9786894817718276
Energy: 2.070966561471824
Energy: 0.9786894817727462
Energy: 1.1819156417686578
Energy: 0.9778685724886629
Energy: 1.720357247552192
Energy: 0.9778685724905005
Energy: 1.3598793826055968
Energy: 0.9763606404880264
Energy: 2.2342689337382713
Energy: 0.9763606404898637
Energy: 1.16916422230406
Energy: 0.9767428418343644
Energy: 2.2373914563515647
Energy: 0.9767428418352831
Energy: 1.1690800315752303
Energy: 0.9735240748341742
Energy: 2.214287661027983
Energy: 0.9735240748332554
Energy: 1.1623350357166424
Energy: 1.167582685395307
Energy: 1.7357619754888853
Energy: 1.167582685396226
Energy: 1.5405070903999687
Energy: 0.9730221935571466
Energy: 2.2177418546916723
Energy: 0.9730221935571466
Energy: 1.5420106142646524
Energy: 0.9727645817821272
Energy: 1.8949584411894582
Energy: 0.9727645817802898
Energy: 1.7366595942010667
Energy: 1.087551971812142
Energy: 1.8938658941979911
Energy: 1.0875519718130608
Energy: 1.5572005305824503
Energy: 1.0915167282196503
Energy: 1.7217894109487837
Energy: 1.0915167282187315
Energy: 1.8960121026300185
Energy: 1.0909547621441205
Energy: 1.359879900858968
Energy: 1.0909547621441205
Energy: 1.8863303066995019
Energy: 1.3331710981659775
Energy: 1.182153991241801
Energy: 1.3331710981668958
Energy: 2.23426893373919
Energy: 0.997411059890127
Energy: 1.1712756701362335
Energy: 0.997411059890127
Energy: 2.2373914563515647
Energy: 0.9958327237074394
Energy: 0.991262817703459
Energy: 0.9958327237074394
Energy: 2.0701860774737635
Energy: 0.9932280301223612
Energy: 0.9983224825772794
Energy: 0.9932280301223612

minimum gb energy = 0.9727645817802898 eV
minimum distance =  2.61829468039245 Angstroms
sigma value = 25


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

Energy: 2.0258800001696233
Energy: 0.8453612136709531
Energy: 1.228134208502817
Energy: 0.8453612174565268
Energy: 2.019417043401302
Energy: 0.8439236008023998
Energy: 1.1532176124162314
Energy: 0.8439236007995301
Energy: 2.0093234753260423
Energy: 0.8429804770056365
Energy: 1.1540056622417703
Energy: 0.8429804770056365
Energy: 1.467169377856873
Energy: 0.8446838664795893
Energy: 1.4663796894642478
Energy: 0.8446838664788718
Energy: 2.0163614885568695
Energy: 1.258443842762992
Energy: 1.7376331356212595
Energy: 1.2584438427601226
Energy: 1.458187567939057
Energy: 0.9303056417118899
Energy: 1.7348075196712036
Energy: 0.9303056417111725
Energy: 1.4603771969671138
Energy: 1.2586794248553304
Energy: 2.016693075041373
Energy: 1.2586794248560476
Energy: 1.465738983171082
Energy: 0.8446732863455975
Energy: 1.7434682101053363
Energy: 0.8446732863470322
Energy: 1.1537957116972914
Energy: 0.8428512803600723
Energy: 2.2937525787326822
Energy: 0.8428512803586373
Energy: 1.1549517253988058
Energy: 0.8438581647255298
Energy: 2.0190902261165573
Energy: 0.843858164726247
Energy: 0.8510561681950825
Energy: 0.8484600380721089
Energy: 1.7480870223524558
Energy: 0.8484600380721089
Energy: 0.8444481785406068
Energy: 0.8446289748256736
Energy: 2.019434040142732
Energy: 0.8446289748242387
Energy: 0.8435691440857304
Energy: 0.8443052509923712
Energy: 2.2938678141655178
Energy: 0.8443052509923712
Energy: 1.1592243665100377
Energy: 0.8498577842158813
Energy: 2.019926375736104
Energy: 0.8498577842158813
Energy: 1.1535577152481156
Energy: 0.8427529525849727
Energy: 2.016733644172335
Energy: 0.84275295258569
Energy: 1.1518344665488318
Energy: 0.8439690838582193
Energy: 2.0132668991579528
Energy: 0.8439690838596541
Energy: 1.7380833492082421
Energy: 1.2616872195313866
Energy: 2.0167675802137133
Energy: 1.2616872195299516
Energy: 1.1570277801419626
Energy: 1.2596498442323159
Energy: 1.7423753066977221
Energy: 1.2596498442315986
Energy: 1.7337477995709996
Energy: 0.9320930970310378
Energy: 1.4610981313260285
Energy: 0.9320930970324727
Energy: 2.0192121170376653
Energy: 1.2583984301353572
Energy: 1.4588720269056454
Energy: 1.258398430133205
Energy: 1.7461983345721037
Energy: 0.8466011922918134
Energy: 1.1578666083036904
Energy: 0.8466011922897264
Energy: 2.290897540122171
Energy: 0.8422586576474439
Energy: 0.8450622859364658
Energy: 0.8422586576467264
Energy: 2.291916267390801
Energy: 0.8458618187039649
Energy: 1.1524146074457586
Energy: 0.8458618187046824
Energy: 1.7452559607526488
Energy: 0.850503901367691
Energy: 0.848706992115914
Energy: 0.8505039013712782
Energy: 2.0168361305968894
Energy: 0.8433305369723106
Energy: 0.8433574623357771
Energy: 0.8433305369715933
Energy: 2.014171070568763
Energy: 0.8445869864936099
Energy: 0.8468056405347449
Energy: 0.8445869864950446

minimum gb energy = 0.8422586576467264 eV
minimum distance =  2.64639666844558 Angstroms
sigma value = 41


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

Energy: 2.2196658603118467
Energy: 0.7584289442331248
Energy: 1.166490303940343
Energy: 0.7584309895248388
Energy: 2.21164002078729
Energy: 0.7558805847005308
Energy: 1.0159807200031747
Energy: 0.755880584701707
Energy: 2.204239247720526
Energy: 0.7548797392925981
Energy: 1.0187076902846375
Energy: 0.7548797392914218
Energy: 1.7416078996608506
Energy: 0.759839714448411
Energy: 1.5107364407938864
Energy: 0.7598397144478228
Energy: 2.208624856038389
Energy: 0.7548906971222495
Energy: 1.5069258123369478
Energy: 0.7548906971222495
Energy: 1.732243640998413
Energy: 0.8288814033857996
Energy: 1.5025735573630457
Energy: 0.8288814033875641
Energy: 1.737891388998034
Energy: 0.8273621132815264
Energy: 1.969967418039762
Energy: 0.8273621132791737
Energy: 1.7391636677030395
Energy: 0.8297838600905445
Energy: 1.5112894036550333
Energy: 0.82978386009402
Energy: 1.2746933885244518
Energy: 0.7548711939708558
Energy: 1.9683314768806277
Energy: 0.7548711939796782
Energy: 1.2739549470080207
Energy: 0.75413139473884
Energy: 2.2112448965554523
Energy: 0.7541313947517797
Energy: 1.0232866679966937
Energy: 0.7633273748920166
Energy: 1.9820847418810412
Energy: 0.7633273748884877
Energy: 1.0176429735323729
Energy: 0.7536755309607386
Energy: 2.2110507901850416
Energy: 0.7536755309601504
Energy: 1.0164849695519045
Energy: 0.7584614585672641
Energy: 2.443002382683456
Energy: 0.7584614585672641
Energy: 0.76186695409928
Energy: 0.7636779574512894
Energy: 1.979204758799524
Energy: 0.7636779574512894
Energy: 0.7552673785148699
Energy: 0.7554790714219962
Energy: 2.209515545523599
Energy: 0.7554790714214081
Energy: 0.7596447442842676
Energy: 0.7576235477720582
Energy: 2.2091982478351873
Energy: 0.7576235477702936
Energy: 1.0216725815091119
Energy: 0.7586174493582225
Energy: 2.2130235072393933
Energy: 0.7586174493611634
Energy: 1.019326752931959
Energy: 0.7541787985964792
Energy: 2.2081485188758565
Energy: 0.754178798595891
Energy: 1.0191656888291685
Energy: 0.7574930937511158
Energy: 1.738390903042074
Energy: 0.7574930937540566
Energy: 1.5048315710163445
Energy: 0.75585773110841
Energy: 1.7353353744453697
Energy: 0.7558577311113509
Energy: 1.512314566117488
Energy: 0.7551178337711125
Energy: 1.9703225240519722
Energy: 0.7551178337746416
Energy: 1.5058475445251667
Energy: 0.8286788257357905
Energy: 1.7387101735784833
Energy: 0.828678825815728
Energy: 1.968380857776856
Energy: 0.8257874575485923
Energy: 1.7310166847084287
Energy: 0.8257874575485923
Energy: 1.509223094030403
Energy: 0.8303325917179941
Energy: 1.5057434756342254
Energy: 0.8303325917162296
Energy: 1.9711177644781483
Energy: 0.7545090116120979
Energy: 1.2829712153153388
Energy: 0.754509011685619
Energy: 1.9720064392498142
Energy: 0.7556442625502084
Energy: 1.5038969404033413
Energy: 0.7556442625466795
Energy: 1.9757363183724908
Energy: 0.7579133438218675
Energy: 1.0227469268718725
Energy: 0.7579133438218675
Energy: 2.208621792950185
Energy: 0.7539414130457233
Energy: 1.0177100488956279
Energy: 0.7539414130451352
Energy: 1.975645975068328
Energy: 0.7599528154475568
Energy: 1.0217896927229904
Energy: 0.7599528154475568
Energy: 1.9742027134590667
Energy: 0.7578815601456822
Energy: 0.756483853964868
Energy: 0.7578815601468585
Energy: 2.209809129526377
Energy: 0.754241338548802
Energy: 0.7551651135039237
Energy: 0.754241338548214
Energy: 2.216931807910645
Energy: 0.7621923274044466
Energy: 0.7636851976963638
Energy: 0.7621923274020939

minimum gb energy = 0.7536755309601504 eV
minimum distance =  2.64887973524553 Angstroms
sigma value = 15


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

Energy: 1.946367767445079
Energy: 0.7047571010710978
Energy: 1.1183515052118382
Energy: 0.7047525348270262
Energy: 2.35005555267806
Energy: 0.6909292120057469
Energy: 0.9172865670245196
Energy: 0.6909292120057469
Energy: 2.3412060822206797
Energy: 0.6903300448408112
Energy: 0.9169612004089016
Energy: 0.6903300448457939
Energy: 1.9436373067380313
Energy: 0.6953709228926553
Energy: 1.3451274996762752
Energy: 0.6953709228926553
Energy: 2.346606612005018
Energy: 0.6878229713061211
Energy: 1.335768405889395
Energy: 0.6878229713011386
Energy: 1.9331096407807462
Energy: 0.6901664926974092
Energy: 1.3321627355175114
Energy: 0.6901664926924265
Energy: 1.5335820821462491
Energy: 1.0403524837491538
Energy: 1.7332624561080785
Energy: 1.0403524837491538
Energy: 1.9393988271905163
Energy: 1.0407554757469375
Energy: 1.3398291865002465
Energy: 1.0407554757469375
Energy: 1.5294021212756945
Energy: 1.0374979835036242
Energy: 1.7288526663721007
Energy: 1.0374979835036242
Energy: 1.527901629911582
Energy: 1.03809620416366
Energy: 2.1356129902061656
Energy: 1.0380962041686426
Energy: 1.3433101102475684
Energy: 1.0455498678102175
Energy: 1.7428395929576315
Energy: 1.0455498678102175
Energy: 1.1401656777765343
Energy: 0.688573035973126
Energy: 2.1352152769234682
Energy: 0.6885730358684912
Energy: 1.3341276913282327
Energy: 0.689907097683555
Energy: 2.1367615457032287
Energy: 0.689907097683555
Energy: 0.9250257971294803
Energy: 0.6950489738568124
Energy: 1.74075730688919
Energy: 0.695048973861795
Energy: 0.9177842351495523
Energy: 0.6888777656674493
Energy: 2.3463773549351865
Energy: 0.6888777656674493
Energy: 0.9178008344561935
Energy: 0.692105479467035
Energy: 2.141761138356449
Energy: 0.692105479467035
Energy: 0.6952192121312204
Energy: 0.6941576962531057
Energy: 2.145092235103141
Energy: 0.6941576962531057
Energy: 0.6898503435504529
Energy: 0.6895012482415525
Energy: 2.345648905115719
Energy: 0.6895012482415525
Energy: 0.6973335418802513
Energy: 0.693735539798934
Energy: 1.939617558617424
Energy: 0.693735539798934
Energy: 0.9192350062828878
Energy: 0.6942893700569884
Energy: 2.348043920421201
Energy: 0.6942893700569884
Energy: 0.9179156767174568
Energy: 0.6900742179343177
Energy: 2.345901535228466
Energy: 0.6900742179343177
Energy: 0.9208396686113824
Energy: 0.6940121924983099
Energy: 1.9410056962534938
Energy: 0.6940121924983099
Energy: 1.3329608029346447
Energy: 0.6898483224995017
Energy: 1.9326750453489645
Energy: 0.6898483224995017
Energy: 1.338635574980323
Energy: 0.6890989221779185
Energy: 2.138827123044983
Energy: 0.6890989221779185
Energy: 1.3414357026299197
Energy: 1.0444290258261568
Energy: 1.5388126927766683
Energy: 1.0444290258261568
Energy: 1.7305959196264433
Energy: 1.0378510471247628
Energy: 2.138714196728298
Energy: 1.0378510471247628
Energy: 1.336050331300354
Energy: 1.0385565301326152
Energy: 1.7320968974013125
Energy: 1.0385565301326152
Energy: 1.738127816602683
Energy: 1.0414795301749862
Energy: 1.537683892348915
Energy: 1.0414795301749862
Energy: 1.735243791907109
Energy: 1.0393555713373441
Energy: 1.73335207457524
Energy: 1.0393555713422362
Energy: 1.731857525048268
Energy: 1.0383009985388783
Energy: 1.3344175497500967
Energy: 1.0383009985388783
Energy: 2.1470098047148607
Energy: 0.6884713055388532
Energy: 1.1404511181909076
Energy: 0.6884713055388532
Energy: 1.7393535454209148
Energy: 0.6942298958988182
Energy: 1.3410232418525199
Energy: 0.6942298958938357
Energy: 2.1376759130568734
Energy: 0.6895484586550245
Energy: 0.917360911269922
Energy: 0.6895484586550245
Energy: 2.349106217730123
Energy: 0.6902894312199437
Energy: 0.9178387322504318
Energy: 0.6902894312199437
Energy: 2.1517911368859948
Energy: 0.6956846663474675
Energy: 0.9252874258871039
Energy: 0.6956846663474675
Energy: 2.347918586862607
Energy: 0.6908909970596042
Energy: 0.6921782053018639
Energy: 0.6908909970596042
Energy: 2.3406730339055386
Energy: 0.6913546941611571
Energy: 0.6921988810004668
Energy: 0.6913546941611571

minimum gb energy = 0.6878229713011386 eV
minimum distance =  2.65297027853556 Angstroms
sigma value = 85


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

Energy: 2.076253652849195
Energy: 0.5957501681371359
Energy: 0.5956891106473237
Energy: 0.5957501680049396
Energy: 2.4082439225050005
Energy: 0.5948332466895494
Energy: 0.8013571870371053
Energy: 0.5948332466891172
Energy: 2.059907701943613
Energy: 0.5953151565014636
Energy: 0.8015655722212855
Energy: 0.5953151564997351
Energy: 1.6998420661882072
Energy: 0.6001297640712834
Energy: 1.1756887942076306
Energy: 0.6001297640695548
Energy: 2.237714579519689
Energy: 0.5946108814674431
Energy: 1.1787897713664965
Energy: 0.5946108814683074
Energy: 1.6997228680771805
Energy: 0.5955687663795964
Energy: 1.1757351643278056
Energy: 0.5955687663178001
Energy: 1.7045346271688053
Energy: 0.5962470826021886
Energy: 1.5292913490593236
Energy: 0.5962470825952744
Energy: 1.8840641730529306
Energy: 0.5953035659205115
Energy: 1.1750927617504823
Energy: 0.5953035651334617
Energy: 1.705636596278926
Energy: 1.213602571104515
Energy: 1.5255092082842705
Energy: 1.2136025711040828
Energy: 1.7042642247470585
Energy: 1.2134987355796762
Energy: 1.8781468570541109
Energy: 1.2134987355801083
Energy: 1.5305251995391207
Energy: 0.9388744793434789
Energy: 1.523393481982989
Energy: 0.9388744793417503
Energy: 1.3508883008779533
Energy: 0.5954206456950424
Energy: 1.8786746771261114
Energy: 0.5954206455360925
Energy: 1.5256998295587274
Energy: 0.5960426520805626
Energy: 1.8809711255286259
Energy: 0.5960426520835875
Energy: 1.180174240220845
Energy: 0.597356015973324
Energy: 1.5213655158218453
Energy: 0.5973560159772133
Energy: 1.0006315228867801
Energy: 0.5946939293285934
Energy: 2.2304917624365044
Energy: 0.5946939293281612
Energy: 1.1775596327445372
Energy: 0.5972022033170685
Energy: 1.8808292698327596
Energy: 0.5972022033157721
Energy: 0.8069382311078498
Energy: 0.5988200359520862
Energy: 1.8828623078848932
Energy: 0.5988200359520862
Energy: 0.8021264738067103
Energy: 0.5937387614057698
Energy: 2.4057995128168166
Energy: 0.5937387614053377
Energy: 0.8054772106251114
Energy: 0.6001433426432371
Energy: 2.2454883652926965
Energy: 0.6001433426436693
Energy: 0.6011231580630911
Energy: 0.600391898435723
Energy: 2.2443616736729863
Energy: 0.6003918984335622
Energy: 0.5946070387151333
Energy: 0.5936351431686782
Energy: 2.406213283130668
Energy: 0.5936351431686782
Energy: 0.593760074704033
Energy: 0.5952742170810061
Energy: 2.0573579862655933
Energy: 0.5952742170801419
Energy: 0.8008613112822298
Energy: 0.597004389226788
Energy: 2.418284257800001
Energy: 0.5970043892263559
Energy: 0.8010517254124696
Energy: 0.5938995820978845
Energy: 2.408169777504031
Energy: 0.5938995820983166
Energy: 0.7990000209647996
Energy: 0.5944004307462848
Energy: 1.6938272063050126
Energy: 0.5944004307467169
Energy: 1.1758485914132117
Energy: 0.595263443225485
Energy: 2.4089716053356454
Energy: 0.5952634432267815
Energy: 1.177230721961793
Energy: 0.5947059243365601
Energy: 2.056485356189696
Energy: 0.5947059243352637
Energy: 1.5323274490465981
Energy: 0.5982318273461749
Energy: 1.6990755408445044
Energy: 0.5982318273453106
Energy: 1.5301846332022093
Energy: 0.5955848964090649
Energy: 2.054373386554703
Energy: 0.5955848964047827
Energy: 1.5265949893408777
Energy: 1.2148828742040767
Energy: 1.701467285357886
Energy: 1.2148828742040767
Energy: 1.8806559103960359
Energy: 1.216449957214887
Energy: 1.3455521494723572
Energy: 1.2164499572140228
Energy: 1.5278413527619212
Energy: 1.2174005850425516
Energy: 1.8812615768519778
Energy: 1.2174005850416874
Energy: 1.8792734487769491
Energy: 0.5957268688789423
Energy: 1.3461873267002245
Energy: 0.5957268688875852
Energy: 2.230481897858352
Energy: 0.5948977903643898
Energy: 1.347851411814881
Energy: 0.5948977903847006
Energy: 1.5176001209799592
Energy: 0.5975491070164842
Energy: 1.3969506002217145
Energy: 0.5975491070169163
Energy: 2.230443096948189
Energy: 0.5948143101216558
Energy: 1.1776778622942183
Energy: 0.5948143101212237
Energy: 2.2362592303121565
Energy: 0.5954816334861195
Energy: 1.1761182586325531
Energy: 0.5954816334865516
Energy: 1.8778847306590125
Energy: 0.601773189699371
Energy: 0.7999606221310901
Energy: 0.6017731896972103
Energy: 2.407658268546132
Energy: 0.5943215941006345
Energy: 0.8007348496497516
Energy: 0.594321594099338
Energy: 2.2418129251870877
Energy: 0.5964648448357849
Energy: 0.8012808834716271
Energy: 0.5964648448375134
Energy: 1.8790643229786395
Energy: 0.5959369944002157
Energy: 0.5935836679473028
Energy: 0.5959369943993515
Energy: 2.405898952336723
Energy: 0.5937452704830308
Energy: 0.5947399459125358
Energy: 0.593745270483463
Energy: 2.0625789067319533
Energy: 0.6010905131354104
Energy: 0.5931710604116203
Energy: 0.6010905131354104

minimum gb energy = 0.5931710604116203 eV
minimum distance =  2.64678935989617 Angstroms
sigma value = 113


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

Energy: 0.02413498840057131
Energy: 0.5855840045301505
Energy: 1.8965408019072836
Energy: 0.5855840045304459
Energy: 1.4554628488833452
Energy: 0.14023186258239917
Energy: 1.4498217316063646
Energy: 0.14023186258177164
Energy: 0.02510792407528655
Energy: 0.13930740122399038
Energy: 1.4496808790352627
Energy: 0.13930740122365817
Energy: 0.026476586620920638
Energy: 0.14582003176718464
Energy: 1.4546910679549054
Energy: 0.14582003176685243
Energy: 1.4598039861393652
Energy: 0.1428003659408371
Energy: 1.4522538463824555
Energy: 0.14280036594017267
Energy: 0.024835014601629055
Energy: 0.13982484057987118
Energy: 1.4474718680558487
Energy: 0.13982484057987118

minimum gb energy = 0.02413498840057131 eV
minimum distance =  2.91225767200617 Angstroms
sigma value = 1