Model name: model_name=EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
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=2.855312779545784
cohesive_energy=4.013297914062382
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.012434210489737698
Energy: 0.012649715247402849
Energy: 2.1611475916752707
Energy: 0.012649715247402849
Energy: 0.01264971524840822
Energy: 0.012666605816249057
Energy: 0.4125277089856839
Energy: 0.012666605816249057
Energy: 2.1611475916752707
Energy: 0.4125277089856839
Energy: 0.41250338806858294
Energy: 0.4125277089856839
Energy: 0.012649715247402849
Energy: 0.012666605816249057
Energy: 0.4125277089856839
Energy: 0.012666605816249057

minimum gb energy = 0.012434210489737698 eV
minimum distance =  2.47043086170248 Angstroms
sigma value = 1


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

Energy: 1.408638970685136
Energy: 1.2252472362834779
Energy: 0.905544605942167
Energy: 1.2252472362834779
Energy: 1.4424493302827173
Energy: 0.9010520465508244
Energy: 1.0467460503454624
Energy: 0.901052046553263
Energy: 1.525514824815761
Energy: 0.9106218686337393
Energy: 0.9040520776229114
Energy: 0.9106218686373972
Energy: 1.3248302384902908
Energy: 0.9028682644158949
Energy: 0.98302228747344
Energy: 0.9028682644146755
Energy: 1.3263108860272554
Energy: 0.9029252079166301
Energy: 1.293717756512113
Energy: 0.9029252079190687
Energy: 1.439955398138869
Energy: 0.8962586543811846
Energy: 0.8959894159234503
Energy: 0.8962586543824039
Energy: 1.1062549241436623
Energy: 1.1584675739787653
Energy: 0.8958943835407426
Energy: 1.1584675739751076
Energy: 0.902741463039549
Energy: 0.8951659058665559
Energy: 1.2849450630915318
Energy: 0.8951659058616785
Energy: 1.1065289969743348
Energy: 1.0463660700894362
Energy: 1.2762728986432976
Energy: 1.0463660700943131
Energy: 1.461078744907849
Energy: 1.1545376766877018
Energy: 1.132952611843062
Energy: 1.1545376766791666
Energy: 0.8990087469100015
Energy: 1.052145399645829
Energy: 1.193889757141565
Energy: 1.052145399645829
Energy: 0.8989863783991229
Energy: 0.8989257401317883
Energy: 1.8041188393779852
Energy: 0.8989257401293497
Energy: 1.0881778372713478
Energy: 1.0522333674709763
Energy: 1.3297111615178516
Energy: 1.052233367473415
Energy: 0.9099197647056744
Energy: 1.1566243263318863
Energy: 1.3688885641805022
Energy: 1.1566243263294476
Energy: 0.9124466937825919
Energy: 0.8953741833093641
Energy: 1.4368582044515743
Energy: 0.8953741833118027
Energy: 0.9669217608923693
Energy: 0.8954008838201676
Energy: 1.440079235339431
Energy: 0.8954008838213868
Energy: 0.9100890837490222
Energy: 1.1566215913294453
Energy: 1.3697542336652944
Energy: 1.1566215913282263
Energy: 1.0889379457137627
Energy: 1.0518060703446277
Energy: 1.3064795000404854
Energy: 1.051806070345847
Energy: 0.8990327006219819
Energy: 0.89884219489924
Energy: 1.8296182275008377
Energy: 0.8988421948980208
Energy: 0.8991463457331006
Energy: 1.0518658144194157
Energy: 1.1090358402199616
Energy: 1.0518658144194157
Energy: 1.4615790437053064
Energy: 1.1539630923106792
Energy: 1.1251963298292795
Energy: 1.1539630923094597
Energy: 1.1064832537587432
Energy: 1.0409161537611076
Energy: 1.2761863119773726
Energy: 1.040916153764765
Energy: 1.0119373630706263
Energy: 0.8953035518909801
Energy: 1.0993865747279294
Energy: 0.8953035518946381
Energy: 1.2717607149459522
Energy: 1.1570916624048628
Energy: 0.8960659419922083
Energy: 1.1570916624024241
Energy: 1.4419167851822905
Energy: 0.8962446379865153
Energy: 0.8960269199005185
Energy: 0.8962446379852961
Energy: 1.3688438547910462
Energy: 0.90311133369108
Energy: 1.2893108390988328
Energy: 0.90311133369108
Energy: 1.2977132880574473
Energy: 0.9033554453609114
Energy: 0.9105712589492215
Energy: 0.9033554453596921
Energy: 1.6074380469710692
Energy: 0.9105273232494645
Energy: 0.930283679292102
Energy: 0.9105273232506839
Energy: 1.4433712611565797
Energy: 0.901082749334086
Energy: 1.046801771931044
Energy: 0.9010827493377438
Energy: 1.4024521499449147
Energy: 1.0543256543298445
Energy: 0.9109200330057518
Energy: 1.054325654331064
Energy: 1.44316261956129
Energy: 0.9012194161027532
Energy: 0.9832815858509877
Energy: 0.9012194161125077
Energy: 1.441089912069342
Energy: 0.8982956666373497
Energy: 0.9040447341990451
Energy: 0.8982956666422269
Energy: 1.3268041752197257
Energy: 1.0418851141368723
Energy: 0.9829215153444443
Energy: 1.0418851141344336

minimum gb energy = 0.8951659058616785 eV
minimum distance =  2.26603617835617 Angstroms
sigma value = 1


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

Energy: 1.5184562940621185
Energy: 1.241139063480581
Energy: 0.9548390643997194
Energy: 1.2411390634819712
Energy: 1.3479145535873172
Energy: 1.081078946378004
Energy: 1.1244604119571044
Energy: 1.081078946378004
Energy: 1.3558015887550925
Energy: 0.9479063669003327
Energy: 0.9560793684291524
Energy: 0.947906366901723
Energy: 0.9323127327483826
Energy: 1.0828813730087112
Energy: 1.1243818177874814
Energy: 1.082881373007321
Energy: 0.9322313113028862
Energy: 1.0826850533413879
Energy: 1.3916887237621522
Energy: 1.0826850533413879
Energy: 1.355996799871283
Energy: 0.9308389627831984
Energy: 0.9311694560030759
Energy: 0.9308389627831984
Energy: 1.0136275285603134
Energy: 1.0042970551771178
Energy: 0.9314925415651364
Energy: 1.0042970551771178
Energy: 0.9308389182077108
Energy: 0.9310136904918578
Energy: 1.3848980576434913
Energy: 0.9310136904918578
Energy: 1.0136855141655399
Energy: 1.080968669140723
Energy: 1.3560160490510975
Energy: 1.0809686691393325
Energy: 1.1256921994155635
Energy: 0.9326954745088807
Energy: 0.9323793245695582
Energy: 0.9326954745088807
Energy: 1.0171495900181498
Energy: 1.0830180642806846
Energy: 1.3567780456822596
Energy: 1.0830180642806846
Energy: 1.0174572878756385
Energy: 0.9308277338150768
Energy: 1.734658943072457
Energy: 0.9308277338150768
Energy: 1.1246441035890329
Energy: 1.0808823534005292
Energy: 1.4138528158502182
Energy: 1.0808823534019192
Energy: 1.1246441035862524
Energy: 1.080787342286397
Energy: 1.4139636255728292
Energy: 1.080787342286397
Energy: 1.017462408224477
Energy: 0.930815129286091
Energy: 1.7348792652216527
Energy: 0.930815129286091
Energy: 1.0171673730478534
Energy: 1.0830212607711251
Energy: 1.3567984348875979
Energy: 1.0830212607725156
Energy: 1.1256921994141733
Energy: 0.9327160712380659
Energy: 0.9324189196937976
Energy: 0.9327160712380659
Energy: 1.0137012585366356
Energy: 1.0809696849293244
Energy: 1.3560364324326382
Energy: 1.0809696849307147
Energy: 0.9308413805391867
Energy: 0.9310129777076925
Energy: 1.3848980576518324
Energy: 0.9310129777076925
Energy: 1.0137695910200724
Energy: 1.0043903805792045
Energy: 0.9312939164365208
Energy: 1.0043903805792045
Energy: 1.3560654042280216
Energy: 0.9308424672570021
Energy: 0.9312547074132776
Energy: 0.9308424672570021
Energy: 0.9322345929436754
Energy: 1.082381073940391
Energy: 1.3916887237635425
Energy: 1.082381073940391
Energy: 0.9323395641319204
Energy: 1.0827759147875333
Energy: 1.1243818178069442
Energy: 1.0827759147875333
Energy: 1.355872776456417
Energy: 0.9479112305878168
Energy: 0.9558797179125994
Energy: 0.9479112305878168
Energy: 1.347960233489484
Energy: 1.081095939348063
Energy: 1.1244604119584944
Energy: 1.081095939348063
Energy: 1.5184562940621185
Energy: 1.241139063480581
Energy: 0.9548390643788663
Energy: 1.2411390634819712
Energy: 1.3479145535887074
Energy: 1.081078946378004
Energy: 1.1244604119571044
Energy: 1.081078946378004
Energy: 1.3558015887537025
Energy: 0.9479063669031131
Energy: 0.9560793684305426
Energy: 0.9479063669003327
Energy: 0.9323127327483826
Energy: 1.082881373007321
Energy: 1.1243818177888716
Energy: 1.0828813730087112

minimum gb energy = 0.930815129286091 eV
minimum distance =  2.27912137981781 Angstroms
sigma value = 25


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

Energy: 1.3434238485273375
Energy: 1.110848845397238
Energy: 1.019573634597992
Energy: 1.110848845398854
Energy: 1.4536799715272866
Energy: 0.9936102709811028
Energy: 1.1939583203554416
Energy: 0.9936102709827188
Energy: 1.4420978831428375
Energy: 1.0070270905331509
Energy: 1.0339428235268984
Energy: 1.0070270905331509
Energy: 1.2966059423763563
Energy: 0.9923240613848774
Energy: 1.1145514549608655
Energy: 0.9923240613832613
Energy: 1.2654135210546062
Energy: 0.9922971858563252
Energy: 1.283153746677906
Energy: 0.9922971858579414
Energy: 1.4421008469953969
Energy: 0.9939002683402736
Energy: 0.9935983027225069
Energy: 0.9939002683402736
Energy: 1.0050679780902319
Energy: 0.9925604370088946
Energy: 0.9935997699375796
Energy: 0.9925604370121268
Energy: 1.0074009863961308
Energy: 1.0045925287897026
Energy: 1.4685016259767798
Energy: 1.0045925287897026
Energy: 1.0941910981294511
Energy: 1.226362128929921
Energy: 1.2700585325544753
Energy: 1.2263621289315367
Energy: 1.0804150083350126
Energy: 1.0018850161289745
Energy: 1.3298140064757107
Energy: 1.0018850161305906
Energy: 1.0867998858838515
Energy: 1.0772821363845544
Energy: 1.4508095652852329
Energy: 1.0772821363829381
Energy: 1.1015481142031924
Energy: 1.0048976097934297
Energy: 1.4435264163150376
Energy: 1.0048976097934297
Energy: 1.0801596412313286
Energy: 1.0015830902380776
Energy: 1.3161856898262139
Energy: 1.0015830902364615
Energy: 1.1358037836216741
Energy: 0.9924027392077044
Energy: 1.2734090409368775
Energy: 0.9924027392077044
Energy: 1.0043673232825592
Energy: 1.0051716923949352
Energy: 1.7052467052567932
Energy: 1.0051716923933194
Energy: 1.0048455127661322
Energy: 0.9933527680154969
Energy: 0.9936963308511809
Energy: 0.9933527680154969
Energy: 1.7153162614259443
Energy: 0.994111603922165
Energy: 0.9933282841433418
Energy: 0.9941116039205489
Energy: 1.2681403213996951
Energy: 0.9925744742610585
Energy: 1.2976900605012853
Energy: 0.9925744742626746
Energy: 1.1582996979222737
Energy: 0.9927018067380265
Energy: 1.114729941613367
Energy: 0.9927018067380265
Energy: 1.2844668825150083
Energy: 0.9937808767330478
Energy: 1.0072375494338108
Energy: 0.9937808767330478
Energy: 1.453529259129562
Energy: 0.9941162729634111
Energy: 1.0597705708552754
Energy: 0.9941162729617952
Energy: 1.3451567013863897
Energy: 1.0024395719564319
Energy: 1.0347381599778256
Energy: 1.0024395719548158
Energy: 1.4532903260229235
Energy: 1.1437633534387017
Energy: 1.19385408862869
Energy: 1.143763353450014
Energy: 1.444752717133501
Energy: 1.033173546899597
Energy: 1.0332919217242742
Energy: 1.033173546899597
Energy: 1.26542756388302
Energy: 0.9922836919965422
Energy: 1.03398188666408
Energy: 0.9922836919965422

minimum gb energy = 0.9922836919965422 eV
minimum distance =  2.32052184192257 Angstroms
sigma value = 9


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

Energy: 1.0265284060613222
Energy: 1.0258325011173195
Energy: 1.173416982253516
Energy: 1.0258325011163556
Energy: 1.025146279923036
Energy: 1.0371870157999743
Energy: 1.0377265547610561
Energy: 1.0371870158001497
Energy: 1.1441888515952985
Energy: 1.0757351215895792
Energy: 1.1441231549063824
Energy: 1.075735121590346
Energy: 1.0372511138240856
Energy: 1.037464640231954
Energy: 1.149182127477405
Energy: 1.0374646402321515
Energy: 1.0372717591899943
Energy: 1.037458501685661
Energy: 1.1443001900354648
Energy: 1.0374585016864277
Energy: 1.6934163028793616
Energy: 1.0373661481074208
Energy: 1.0372723258587533
Energy: 1.037366148106654
Energy: 1.1439483676192863
Energy: 1.037304682808197
Energy: 1.0373950075761935
Energy: 1.0373046828068389
Energy: 1.1442869596303191
Energy: 1.1438742901556627
Energy: 1.5373072687226694
Energy: 1.143874290154896
Energy: 1.3095110584796956
Energy: 1.0371910736855892
Energy: 1.0246537000202327
Energy: 1.0371910736849976
Energy: 1.3094701060593856
Energy: 1.0250646773344951
Energy: 1.0248625760433052
Energy: 1.0250646773348893
Energy: 1.1492090601938758
Energy: 1.1369770474858785
Energy: 1.5391677854894852
Energy: 1.1369770474864478
Energy: 1.1442927049204001
Energy: 1.0251784382378444
Energy: 1.143782091487662
Energy: 1.025178438238611
Energy: 1.308966236194297
Energy: 1.038183386407996
Energy: 1.0379182172744295
Energy: 1.0381833864076015
Energy: 1.1438124154074545
Energy: 1.1201373981610414
Energy: 1.14389661026282
Energy: 1.1201373981608442
Energy: 1.0386291196315458
Energy: 1.0381803015406836
Energy: 1.3089662361910328
Energy: 1.0381803015408808
Energy: 1.1437733484348465
Energy: 1.0246044827407843
Energy: 1.1442752421695526
Energy: 1.0246044827405871
Energy: 1.5390849790722938
Energy: 1.1370601636988582
Energy: 1.1492019870283223
Energy: 1.1370601636990334
Energy: 1.024851760431423
Energy: 1.0251018853791283
Energy: 1.3094701060576548
Energy: 1.0251018853800922
Energy: 1.0246393730257326
Energy: 1.0371794382472883
Energy: 1.3095110584744816
Energy: 1.0371794382478579
Energy: 1.537428158808069
Energy: 1.143866427220071
Energy: 1.1443633602074612
Energy: 1.1438664272198957
Energy: 1.0373738373834125
Energy: 1.0380266415598778
Energy: 1.1437917362484729
Energy: 1.038026641559111

minimum gb energy = 1.0246044827405871 eV
minimum distance =  2.29354366821806 Angstroms
sigma value = 25


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

Energy: 1.1287792690488403
Energy: 1.3758192903852031
Energy: 1.243601059352546
Energy: 1.3758192903840112
Energy: 1.5009321425984732
Energy: 1.2102156937621433
Energy: 1.1582017173338996
Energy: 1.2102156937621433
Energy: 1.312502183379747
Energy: 1.1610066127914092
Energy: 1.1576270765337677
Energy: 1.1610066127900005
Energy: 1.1476766492076342
Energy: 1.1288335449777804
Energy: 1.1600093703340353
Energy: 1.1288335449784848
Energy: 1.2525917337598866
Energy: 1.2038564354544716
Energy: 1.5102649172031233
Energy: 1.2038564354570727
Energy: 1.5770414650737872
Energy: 1.1047111209630263
Energy: 1.104418625612887
Energy: 1.1047111209656542
Energy: 1.2046641461769485
Energy: 1.1282422100747735
Energy: 1.1760405957709188
Energy: 1.1282422100695175
Energy: 1.2081568994833205
Energy: 1.2131880680094758
Energy: 1.5297743990367716
Energy: 1.213188068007823
Energy: 1.2044479646566155
Energy: 1.1046418674486111
Energy: 1.1043719167693322
Energy: 1.1046418674481235
Energy: 1.312449862057178
Energy: 1.104635352443424
Energy: 1.1042836115080428
Energy: 1.104635352443424
Energy: 1.129466526322221
Energy: 1.1288167429363258
Energy: 1.4484317466085352
Energy: 1.1288167429382225
Energy: 1.1282447647436447
Energy: 1.1042053334004474
Energy: 1.1603041971880161
Energy: 1.1042053334002306
Energy: 1.3883854038709442
Energy: 1.1602796035867071
Energy: 1.1608605758995647
Energy: 1.160279603586463
Energy: 1.5036643983931604
Energy: 1.1041193373336788
Energy: 1.3321701794116598
Energy: 1.1041193373334353
Energy: 1.5064959355921743
Energy: 1.3369894573745527
Energy: 1.3308580052738743
Energy: 1.3369894573743357
Energy: 1.5013643959203224
Energy: 1.1291268573574549
Energy: 1.160266136215654
Energy: 1.1291268573581592
Energy: 1.129075094121926
Energy: 1.1055375296897512
Energy: 1.1617090497484661
Energy: 1.1055375296883423

minimum gb energy = 1.1041193373334353 eV
minimum distance =  2.28415345855885 Angstroms
sigma value = 17


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

Energy: 1.4423979211501807
Energy: 1.3259398283960302
Energy: 1.3201510228113063
Energy: 1.3259398283933295
Energy: 1.3676160973079114
Energy: 1.2180088535792488
Energy: 1.2093729111726543
Energy: 1.2180088535792488
Energy: 1.1603479004024733
Energy: 1.1479149461010643
Energy: 1.1707077258669105
Energy: 1.1479149461010643
Energy: 1.1349662402849696
Energy: 1.1344244508438028
Energy: 1.1826297221128297
Energy: 1.134424450845153
Energy: 1.1652812623481301
Energy: 1.2230209218140347
Energy: 1.405379027228503
Energy: 1.2230209218234869
Energy: 1.5163307072853287
Energy: 1.3067065657563754
Energy: 1.147749850115157
Energy: 1.306706565752325
Energy: 1.3106442962101283
Energy: 1.133482767305027
Energy: 1.4071121383726073
Energy: 1.1334827673063772
Energy: 1.1926420016721166
Energy: 1.1338520356465422
Energy: 1.452813635798872
Energy: 1.1338520356465422
Energy: 1.2128875253694884
Energy: 1.1444948920506173
Energy: 1.1418065499327048
Energy: 1.1444948920506173
Energy: 1.4395767697949788
Energy: 1.2243247090849505
Energy: 1.1428722888765857
Energy: 1.2243247090863008
Energy: 1.1405092414420297
Energy: 1.13828451653326
Energy: 1.4167229429330723
Energy: 1.138284516537311
Energy: 1.1377906879077964
Energy: 1.1428723434542454
Energy: 1.2734200543024803
Energy: 1.1428723434569459
Energy: 1.4398208155769552
Energy: 1.1952608414693788
Energy: 1.2292003697568858
Energy: 1.1952608414653585
Energy: 1.137688535027737
Energy: 1.1382379589534097
Energy: 1.224255345933407
Energy: 1.1382379589520595
Energy: 1.1378855063731916
Energy: 1.2292391115468726
Energy: 1.4711786503097162
Energy: 1.2292391115441719
Energy: 1.390820389594313
Energy: 1.1421213107244343
Energy: 1.1408081349316077
Energy: 1.1421213107244343
Energy: 1.191829720483075
Energy: 1.3002646350212235
Energy: 1.142537388864878
Energy: 1.3002646350239242
Energy: 1.1802658592316853
Energy: 1.19809450714617
Energy: 1.3871141251102594
Energy: 1.1980945071448195
Energy: 1.311382271964895
Energy: 1.3032763337507518
Energy: 1.388326907507156
Energy: 1.3032763337453506
Energy: 1.5321713411366806
Energy: 1.2248119449591166
Energy: 1.389652203262675
Energy: 1.2248119449618173
Energy: 1.1443518385544629
Energy: 1.159959341615626
Energy: 1.4099417790894995
Energy: 1.1599593416169762
Energy: 1.1457293349720274
Energy: 1.1421033122514255
Energy: 1.15943976203679
Energy: 1.1421033122554765
Energy: 1.3699478656773898
Energy: 1.1597303302565594
Energy: 1.1514807571068846
Energy: 1.1597303302592599
Energy: 1.395515173500529
Energy: 1.1339063198702306
Energy: 1.4056047855613512
Energy: 1.133906319871581
Energy: 1.414751701707641
Energy: 1.1338585378649684
Energy: 1.4016511556663551
Energy: 1.1338585378649684
Energy: 1.395380611459514
Energy: 1.160189592441109
Energy: 1.1590772663610334
Energy: 1.160189592441109
Energy: 1.1456742264747757
Energy: 1.1424835588227236
Energy: 1.1516968882174123
Energy: 1.1424835588240738
Energy: 1.1445575077965358
Energy: 1.1442369526129041
Energy: 1.3965496964465154
Energy: 1.1442369526156049
Energy: 1.1595712827022295
Energy: 1.2244772044018535
Energy: 1.3923365224122826
Energy: 1.2244772044005034
Energy: 1.2683958334652572
Energy: 1.3068300930881491
Energy: 1.1466209441574462
Energy: 1.3068300930854484

minimum gb energy = 1.133482767305027 eV
minimum distance =  2.26200468657626 Angstroms
sigma value = 53


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

Energy: 1.0527231169749853
Energy: 1.0713359457233333
Energy: 1.1851640574992686
Energy: 1.0713359457227327
Energy: 1.0527627698825859
Energy: 1.0998995500667221
Energy: 1.0524645310940548
Energy: 1.0998995500664044
Energy: 1.5475068003241133
Energy: 1.1610261778545028
Energy: 1.1347158016545746
Energy: 1.1610261778548208
Energy: 1.1346930084813678
Energy: 1.1610903572145836
Energy: 1.5475466637203796
Energy: 1.1610903572152196
Energy: 1.0524394939378103
Energy: 1.0998785412315257
Energy: 1.0533421373956031
Energy: 1.0998785412324796
Energy: 2.3221670585556256
Energy: 1.071335945723651
Energy: 1.0527231169747029
Energy: 1.0713359457230505
Energy: 1.0524645310956091
Energy: 1.0998995500670048
Energy: 1.0527627698831865
Energy: 1.0998995500660864
Energy: 1.1347158016551753
Energy: 1.1610261778545028
Energy: 1.5475068003256678
Energy: 1.1610261778538669
Energy: 1.54754666372098
Energy: 1.1610903572149016
Energy: 1.1346930084816857
Energy: 1.1610903572145836
Energy: 1.053342137395921
Energy: 1.0998785412327974
Energy: 1.0524394939368917
Energy: 1.0998785412324796
Energy: 1.0527231169756213
Energy: 1.0713359457227327
Energy: 1.185164059002248
Energy: 1.0713359457227327
Energy: 1.0527627698828685
Energy: 1.0998995500667221
Energy: 1.0524645310946554
Energy: 1.0998995500664044
Energy: 1.5475068003241133
Energy: 1.1610261778545028
Energy: 1.1347158016542567
Energy: 1.1610261778548208

minimum gb energy = 1.0524394939368917 eV
minimum distance =  2.26641224390743 Angstroms
sigma value = 9


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

Energy: 1.2936755182777464
Energy: 1.307276005101278
Energy: 1.3519276047683901
Energy: 1.3072760051001275
Energy: 1.5196492104098316
Energy: 1.2718418907896405
Energy: 1.2544889454017578
Energy: 1.2718418907873394
Energy: 1.2149758065271075
Energy: 1.1796007538670215
Energy: 1.178884457186491
Energy: 1.1796007538681719
Energy: 1.2186414941813706
Energy: 1.2535129469285324
Energy: 1.2508987218053065
Energy: 1.253512946929683
Energy: 1.3085164549694182
Energy: 1.1748326453458442
Energy: 1.4983820410156177
Energy: 1.1748326453527478
Energy: 1.4859833175275472
Energy: 1.256989211966353
Energy: 1.279567564620829
Energy: 1.2569892119640518
Energy: 1.2343075987713141
Energy: 1.2718963569860562
Energy: 1.555114217609433
Energy: 1.2718963569883575
Energy: 1.1749995391664136
Energy: 1.2306192517658003
Energy: 1.2534293530375447
Energy: 1.230619251766951
Energy: 1.2356809842879077
Energy: 1.2390258975728072
Energy: 1.2327044039168498
Energy: 1.2390258975705062
Energy: 1.3004698481315005
Energy: 1.1791972167461062
Energy: 1.3091464103926456
Energy: 1.1791972167449556
Energy: 1.1914675924655356
Energy: 1.2543669219549218
Energy: 1.5431031725542417
Energy: 1.2543669219560725
Energy: 1.6016606882258257
Energy: 1.2992071385010326
Energy: 1.227682150082836
Energy: 1.2992071385010326
Energy: 1.2498960573858386
Energy: 1.185858210858752
Energy: 1.18856480932221
Energy: 1.1858582108541498
Energy: 1.2613905319566787
Energy: 1.2865613195140284
Energy: 1.3312724141016024
Energy: 1.2865613195140284
Energy: 1.292599421706275
Energy: 1.279079554777953
Energy: 1.2283515972867325
Energy: 1.2790795547814047
Energy: 1.4853652218722098
Energy: 1.1872033101894854
Energy: 1.191309422304111
Energy: 1.187203310186034
Energy: 1.2774448452808007
Energy: 1.2588191055295443
Energy: 1.6306974352005141
Energy: 1.258819105530695
Energy: 1.1944652857501288
Energy: 1.2503722471084513
Energy: 1.3062673316178754
Energy: 1.2503722471130534
Energy: 1.5353087302373571
Energy: 1.2744987589383887
Energy: 1.2296697553547358
Energy: 1.2744987589383887
Energy: 1.2185661859911858
Energy: 1.2712482849672513
Energy: 1.2287707403666297
Energy: 1.2712482849650029
Energy: 1.1774177110805693
Energy: 1.196766035733104
Energy: 1.4686625257773307
Energy: 1.1967660357319534
Energy: 1.436935333455593
Energy: 1.2820425607370223
Energy: 1.2786357178976546
Energy: 1.2820425606841492
Energy: 1.3618774340598818
Energy: 1.2549475841207964
Energy: 1.2784083500353236
Energy: 1.254947584118495
Energy: 1.26973695191525
Energy: 1.2139702996918038
Energy: 1.5202449039321555
Energy: 1.2139702996906532
Energy: 1.2285920381573239
Energy: 1.2685721538872263
Energy: 1.2016718008776057
Energy: 1.2685721538837746
Energy: 1.3729873439061189
Energy: 1.2514693406620365
Energy: 1.203545601849615
Energy: 1.2514693406643378
Energy: 1.494870824256698
Energy: 1.2672100349686817
Energy: 1.4438740686744576
Energy: 1.2672100349675313
Energy: 1.2929725415320994
Energy: 1.267294898175894
Energy: 1.4446922475854056
Energy: 1.2672948981770447
Energy: 1.487226815276469
Energy: 1.2101468662899781
Energy: 1.2173905998807482
Energy: 1.2101468662922794
Energy: 1.224361531683741
Energy: 1.3118869931716362
Energy: 1.2031806461391623
Energy: 1.3118869931727868
Energy: 1.2078871991102316
Energy: 1.2554054986763605
Energy: 1.5146385061724177
Energy: 1.2554054986740595
Energy: 1.3618698291199505
Energy: 1.263074959083051
Energy: 1.2803379579051983
Energy: 1.2630749590795993
Energy: 1.5630332293596547
Energy: 1.2640794055043427
Energy: 1.284153814954747
Energy: 1.2640794055066438
Energy: 1.2232517035530384
Energy: 1.193318804459976
Energy: 1.470450118387685
Energy: 1.1933188044611267
Energy: 1.2063476467373992
Energy: 1.271651009570848
Energy: 1.228658249535149
Energy: 1.271651009570848

minimum gb energy = 1.1748326453458442 eV
minimum distance =  2.23390056008883 Angstroms
sigma value = 73


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

Energy: 1.404854082350131
Energy: 1.292065564580261
Energy: 1.417032542302507
Energy: 1.2920655645800743
Energy: 1.3685792816294646
Energy: 1.2805775669745065
Energy: 1.3066677490377643
Energy: 1.2805775669759587
Energy: 1.247655574783769
Energy: 1.2322566712519019
Energy: 1.1936386617627677
Energy: 1.2322566712513419
Energy: 1.2187960407960818
Energy: 1.1982280957298672
Energy: 1.3090442468330046
Energy: 1.19822809573022
Energy: 1.3714027276797838
Energy: 1.1975718729425384
Energy: 1.33670210978342
Energy: 1.1975718729440112
Energy: 1.6658986211516777
Energy: 1.2835283810762939
Energy: 1.2032590508349135
Energy: 1.2835283810755678
Energy: 1.2515532673336123
Energy: 1.2754811294537962
Energy: 1.4391905896699582
Energy: 1.2754811294528838
Energy: 1.1999609762496957
Energy: 1.1982247018339143
Energy: 1.278172204290507
Energy: 1.1982247018331673
Energy: 1.42628679880593
Energy: 1.2329825834232662
Energy: 1.3336820564246419
Energy: 1.232982583413226
Energy: 1.2421549729254866
Energy: 1.2330563712265104
Energy: 1.3221573855491355
Energy: 1.23305637122761
Energy: 1.1979833433772897
Energy: 1.197951758884975
Energy: 1.5723042011385397
Energy: 1.1979517588837094
Energy: 1.4256951664487805
Energy: 1.2862806070539698
Energy: 1.3351347960400468
Energy: 1.2862806070510449
Energy: 1.3705034306093404
Energy: 1.2821372978013117
Energy: 1.2004629383089596
Energy: 1.282137297800399
Energy: 1.2476397941323252
Energy: 1.3410624337719217
Energy: 1.663766964620208
Energy: 1.3410624337715484
Energy: 1.2187062743162513
Energy: 1.2859656909252652
Energy: 1.2650779311910727
Energy: 1.2859656909243526
Energy: 1.3393859113480309
Energy: 1.2325833465783278
Energy: 1.228850208153161
Energy: 1.2325833465805058
Energy: 1.332703054824232
Energy: 1.2853378223743142
Energy: 1.587522348666752
Energy: 1.2853378223739618
Energy: 1.3327539131683677
Energy: 1.2919370621248316
Energy: 1.5237548220709354
Energy: 1.2919370621239188
Energy: 1.575764162993671
Energy: 1.2330503152022967
Energy: 1.2866529282201993
Energy: 1.2330503152019234
Energy: 1.2185569883014926
Energy: 1.3356973166968908
Energy: 1.1937658420642931
Energy: 1.3356973166981563
Energy: 1.2474909032850847
Energy: 1.3077707624464585
Energy: 1.592823005448161
Energy: 1.3077707624475579
Energy: 1.3705376844132957
Energy: 1.2860754154692795
Energy: 1.2004312046109709
Energy: 1.2860754154698395

minimum gb energy = 1.1936386617627677 eV
minimum distance =  2.23140031634569 Angstroms
sigma value = 7


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

Energy: 1.4951970927324307
Energy: 1.3073149014422456
Energy: 1.431907293023599
Energy: 1.3073149014435361
Energy: 1.4303693671787931
Energy: 1.3019527847454957
Energy: 1.261925312629982
Energy: 1.301952784744205
Energy: 1.2989601273549078
Energy: 1.228565591700409
Energy: 1.2290354704010862
Energy: 1.2285655917017
Energy: 1.2542311434844564
Energy: 1.2004557726531642
Energy: 1.2298301526112951
Energy: 1.200455772654455
Energy: 1.3204474479304755
Energy: 1.2282524454153096
Energy: 1.2012814945924444
Energy: 1.2282524454166004
Energy: 1.6714726594155374
Energy: 1.200276948138793
Energy: 1.202795034385715
Energy: 1.2002769481413742
Energy: 1.2747841111297782
Energy: 1.3172712330186578
Energy: 1.4958204266155084
Energy: 1.3172712330199485
Energy: 1.2028030724188916
Energy: 1.2002668714831326
Energy: 1.3164903778823913
Energy: 1.2002668714844233
Energy: 1.416737418031261
Energy: 1.2286443077676206
Energy: 1.2630064412244644
Energy: 1.2286443077702023
Energy: 1.2296732742589132
Energy: 1.200488098736978
Energy: 1.2548688635587297
Energy: 1.200488098736978
Energy: 1.2301049051163095
Energy: 1.229441008882068
Energy: 1.3720978217072117
Energy: 1.229441008882068
Energy: 1.6073385096202153
Energy: 1.2815001882396526
Energy: 1.3806262626033223
Energy: 1.2815001882422343
Energy: 1.7241904412284992
Energy: 1.323391535926983
Energy: 1.3812683474326837
Energy: 1.3233915359282737
Energy: 1.231679578564782
Energy: 1.2298296550720145
Energy: 1.6228564831901855
Energy: 1.2298296550720145
Energy: 1.2294497071175716
Energy: 1.2773679854633355
Energy: 1.2504806635303154
Energy: 1.2773679854633355
Energy: 1.5754087387221192
Energy: 1.4661363096878006
Energy: 1.299715788481738
Energy: 1.4661363096878006
Energy: 1.2001945111744734
Energy: 1.2018188786280224
Energy: 1.3168203876404172
Energy: 1.201818878597073
Energy: 1.2702230302361512
Energy: 1.3032824948154706
Energy: 1.5539839145226022
Energy: 1.3032824948141797
Energy: 1.667274377699604
Energy: 1.2016076046691275
Energy: 1.200172264837683
Energy: 1.2016076046704183
Energy: 1.3169081822579327
Energy: 1.2292993604050089
Energy: 1.200443639710761
Energy: 1.2292993604024274
Energy: 1.2971915256927051
Energy: 1.3474561984608655
Energy: 1.292943293460137
Energy: 1.3474561984608655
Energy: 1.2502642002027424
Energy: 1.2295760385566936
Energy: 1.2320366339104878
Energy: 1.2295760385579846
Energy: 1.5123803801182434
Energy: 1.2910642351365325
Energy: 1.2927362537272056
Energy: 1.291064235135242
Energy: 1.3817961411915782
Energy: 1.3107125856653814
Energy: 1.6073491070750419
Energy: 1.3107125856679631
Energy: 1.3799651420580634
Energy: 1.2004840766316227
Energy: 1.3230638084950126
Energy: 1.2004840766329135
Energy: 1.375652553085848
Energy: 1.2287013750091267
Energy: 1.2316512969262927
Energy: 1.2287013750091267
Energy: 1.2514944226114313
Energy: 1.2000325104462146
Energy: 1.2299870600320513
Energy: 1.2000325104462146
Energy: 1.3167879745126816
Energy: 1.228323868940893
Energy: 1.4219745233394283
Energy: 1.228323868940893
Energy: 1.317282867896579
Energy: 1.1998018396962213
Energy: 1.1997641397232606
Energy: 1.1998018396949306
Energy: 1.5008468619604596
Energy: 1.301460871222878
Energy: 1.4957043677541069
Energy: 1.3014608712215872
Energy: 1.1997642773059494
Energy: 1.1997580844555749
Energy: 1.3172828678927064
Energy: 1.1997580844555749

minimum gb energy = 1.1997580844555749 eV
minimum distance =  2.27893354560426 Angstroms
sigma value = 29


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

Energy: 1.1384720920510096
Energy: 1.29121955260913
Energy: 1.4882152497564487
Energy: 1.2912195526082557
Energy: 1.529061020656695
Energy: 1.21480582058478
Energy: 1.1886318698904772
Energy: 1.21480582058523
Energy: 1.5061938627603602
Energy: 1.1685502798449903
Energy: 1.1703253516626464
Energy: 1.1685502798445409
Energy: 1.5638414118217137
Energy: 1.2914783614401226
Energy: 1.16711990171482
Energy: 1.2914783614396732
Energy: 1.5866874236108521
Energy: 1.2505942177734437
Energy: 1.1688249359340077
Energy: 1.2505942177734437
Energy: 1.3920704995342508
Energy: 1.168678007644667
Energy: 1.1686445507396916
Energy: 1.1686780076442174
Energy: 1.462933825997588
Energy: 1.2467624308261565
Energy: 1.8187040890316366
Energy: 1.2467624308252818
Energy: 1.1354243680125848
Energy: 1.2461255465573933
Energy: 1.8187408041922208
Energy: 1.246125546556494
Energy: 1.528797956250344
Energy: 1.3308790462345348
Energy: 1.2495331733987352
Energy: 1.330879046233211

minimum gb energy = 1.1354243680125848 eV
minimum distance =  2.27823861967642 Angstroms
sigma value = 5


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

Energy: 1.3667535776771547
Energy: 1.3406333088371114
Energy: 1.7839960285387195
Energy: 1.3406333088358922
Energy: 1.55570558014812
Energy: 1.2225692583566428
Energy: 1.3326121065264236
Energy: 1.2225692583054324
Energy: 1.2393611770569688
Energy: 1.2791306522655803
Energy: 1.2408314553728665
Energy: 1.2791306522680188
Energy: 1.240259831539559
Energy: 1.2576183480961085
Energy: 1.3750695286391585
Energy: 1.257618348097328
Energy: 1.1885886752700014
Energy: 1.25830323609105
Energy: 1.2181279369264524
Energy: 1.25830323609105
Energy: 1.2769114430144708
Energy: 1.2713568645846485
Energy: 1.216113802579668
Energy: 1.2713568645883062
Energy: 1.3170948318804152
Energy: 1.2548520384046342
Energy: 1.3910022998145746
Energy: 1.2548520384046342
Energy: 1.3190093433790686
Energy: 1.2696681244136474
Energy: 1.4414424596887083
Energy: 1.2696681244148669
Energy: 1.4910238744724018
Energy: 1.2244995995771437
Energy: 1.324978419393085
Energy: 1.2244995995759245
Energy: 1.4938020783120087
Energy: 1.2247435471656714
Energy: 1.3265989359361998
Energy: 1.2247435471668908
Energy: 1.2376599812649147
Energy: 1.2714900235935518
Energy: 1.3963199514713662
Energy: 1.2714900235898936
Energy: 1.237047677829359
Energy: 1.2854462796535726
Energy: 1.2121202178067167
Energy: 1.2854462796523531
Energy: 1.3869153501591878
Energy: 1.2878809394169268
Energy: 1.2093109344574051
Energy: 1.28788093941205
Energy: 1.210785789698968
Energy: 1.2593522452294734
Energy: 1.2123665834550086
Energy: 1.2593522452343506
Energy: 1.2250067095079644
Energy: 1.3494344347150231
Energy: 1.4552598281366529
Energy: 1.3494344347089267
Energy: 1.496283314054567
Energy: 1.3212974048626343
Energy: 1.3221096446234726
Energy: 1.3212974048638535
Energy: 1.4798242856637382
Energy: 1.2559007536653009
Energy: 1.466481918181349
Energy: 1.25590075366652
Energy: 1.2392463479207365
Energy: 1.2782587221053117
Energy: 1.4388326432974163
Energy: 1.2782587221089696
Energy: 1.3112674553224497
Energy: 1.232748946332674
Energy: 1.271428870811316
Energy: 1.232748946332674
Energy: 1.2279206064015844
Energy: 1.2766088141417316
Energy: 1.216064637834336
Energy: 1.2766088141380736
Energy: 1.2369014382864254
Energy: 1.2504165420438746
Energy: 1.2480081496790205
Energy: 1.2504165420463131
Energy: 1.3643545488324356
Energy: 1.258760610625735
Energy: 1.234236074088548
Energy: 1.2587606106208578
Energy: 1.2402240301969665
Energy: 1.2805696271268374
Energy: 1.2327660189181138
Energy: 1.2805696271231795
Energy: 1.4439481286403326
Energy: 1.2299693050492433
Energy: 1.6165946543351921
Energy: 1.2299693051114275
Energy: 1.4387114370729972
Energy: 1.230362988464706
Energy: 1.5979528595031307
Energy: 1.2303629884610483
Energy: 1.3821277916010526
Energy: 1.2583179918631333
Energy: 1.2306816533246188
Energy: 1.2583179918643526
Energy: 1.2414112884899091
Energy: 1.2576738735855373
Energy: 1.2323698803293182
Energy: 1.2576738735867565
Energy: 1.2547003326769932
Energy: 1.2547739519972732
Energy: 1.414021746410999
Energy: 1.2547739519984924
Energy: 1.2288918582569488
Energy: 1.2806250423778076
Energy: 1.2140784980469432
Energy: 1.2806250423778076
Energy: 1.4610858715782036
Energy: 1.3477401382784684
Energy: 1.297730427416672
Energy: 1.347740138280907
Energy: 1.313364889793812
Energy: 1.277013996785838
Energy: 1.3458498784995945
Energy: 1.2770139967882765
Energy: 1.3418025121396306
Energy: 1.209561059946933
Energy: 1.5564941911248973
Energy: 1.2095610599530295
Energy: 1.6540425608601375
Energy: 1.3209670224507193
Energy: 1.325186982038451
Energy: 1.3209670224519388

minimum gb energy = 1.1885886752700014 eV
minimum distance =  2.23142448063357 Angstroms
sigma value = 1


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

Energy: 1.221532144885979
Energy: 1.210953800925722
Energy: 1.4728520496994193
Energy: 1.210953800925722
Energy: 1.1868311637138107
Energy: 1.2310568311085008
Energy: 1.2204594857080862
Energy: 1.231056831106815
Energy: 1.3130915185459742
Energy: 1.2205930273063696
Energy: 1.245073675934565
Energy: 1.2205930273063696
Energy: 1.2104056574368542
Energy: 1.2198618101147631
Energy: 1.2219887793667292
Energy: 1.2198618101147631
Energy: 1.1609303166462197
Energy: 1.2103051506806053
Energy: 1.162949099001533
Energy: 1.2103051506806053
Energy: 1.1623889190849934
Energy: 1.1617412373353382
Energy: 1.1618790006310558
Energy: 1.1617412373353382
Energy: 1.2226953208174605
Energy: 1.220128229019669
Energy: 1.3130215095391573
Energy: 1.220128229019669
Energy: 1.2223814399379997
Energy: 1.218677074270464
Energy: 1.313285552693109
Energy: 1.218677074270464
Energy: 1.3652697763219526
Energy: 1.2097076152145882
Energy: 1.2110335411844027
Energy: 1.2097076152145882
Energy: 1.3652697763236383
Energy: 1.2097963563948058
Energy: 1.211028342965211
Energy: 1.2097963563948058
Energy: 1.2223399745402042
Energy: 1.218750302009851
Energy: 1.3132855526947949
Energy: 1.218750302009851
Energy: 1.2226656581934316
Energy: 1.2201558470131553
Energy: 1.3130215095391573
Energy: 1.2201558470131553
Energy: 1.1615658032284846
Energy: 1.1616917000742661
Energy: 1.1618887594736524
Energy: 1.1616917000742661
Energy: 1.160931708474316
Energy: 1.2102527155213447
Energy: 1.1628910159366146
Energy: 1.2102527155213447
Energy: 1.2101451575032003
Energy: 1.219840791054277
Energy: 1.2218214067966615
Energy: 1.219840791054277
Energy: 1.3130915185459742
Energy: 1.2205459192706476
Energy: 1.2454512710646695
Energy: 1.2205459192689618
Energy: 1.186890815009996
Energy: 1.2310760372393303
Energy: 1.2205061851257486
Energy: 1.2310760372376444
Energy: 1.221532144885979
Energy: 1.210953800925722
Energy: 1.4728505167632546
Energy: 1.210953800925722
Energy: 1.1868311637138107
Energy: 1.2310568311085008
Energy: 1.2204594857097721
Energy: 1.2310568311085008
Energy: 1.3130915185459742
Energy: 1.2205930273063696
Energy: 1.2450736759362508
Energy: 1.2205930273063696
Energy: 1.2104056574368542
Energy: 1.219861810113077
Energy: 1.2219887793667292
Energy: 1.2198618101147631
Energy: 1.160930316644534
Energy: 1.2103051506839773
Energy: 1.162949099001533
Energy: 1.2103051506822913
Energy: 1.1623889190849934
Energy: 1.1617412373370242
Energy: 1.1618790006310558
Energy: 1.1617412373370242
Energy: 1.2226953208191464
Energy: 1.220128229019669
Energy: 1.3130215095391573
Energy: 1.220128229019669

minimum gb energy = 1.160930316644534 eV
minimum distance =  2.23430115884041 Angstroms
sigma value = 17


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

Energy: 1.3957650646960489
Energy: 1.2295150347440615
Energy: 1.7700445587769094
Energy: 1.22951503478991
Energy: 1.470279533860334
Energy: 1.2794501330258228
Energy: 1.3901095163769095
Energy: 1.2794501330279069
Energy: 1.20066158067724
Energy: 1.2240730945705467
Energy: 1.222301637548843
Energy: 1.2240730945622105
Energy: 1.236965480404114
Energy: 1.203100155578213
Energy: 1.3794008151508539
Energy: 1.203100155579255
Energy: 1.212214763119453
Energy: 1.2172685663361837
Energy: 1.21282897759134
Energy: 1.2172685663340996
Energy: 1.2244183919931722
Energy: 1.2203904072782066
Energy: 1.209969728340589
Energy: 1.2203904072782066
Energy: 1.2164259247609792
Energy: 1.2203313279411556
Energy: 1.1806767742335338
Energy: 1.2203313279421975
Energy: 1.2164340999207004
Energy: 1.220032752468003
Energy: 1.215529628481302
Energy: 1.2200327524669607
Energy: 1.4540752848722303
Energy: 1.2090219876077253
Energy: 1.3686575872758218
Energy: 1.2090219876087673
Energy: 1.5018815351545511
Energy: 1.209782299576083
Energy: 1.3654122891947498
Energy: 1.209782299570873
Energy: 1.264506189058681
Energy: 1.2044531141744497
Energy: 1.4706031374235957
Energy: 1.2044531141724129
Energy: 1.2626549045841104
Energy: 1.2044198855410246
Energy: 1.385368127915424
Energy: 1.2044198855462347
Energy: 1.226466348372594
Energy: 1.2240388982028103
Energy: 1.2179446461665744
Energy: 1.2240388982017683
Energy: 1.188741661804612
Energy: 1.2178558118161578
Energy: 1.217910619844411
Energy: 1.217855811814074
Energy: 1.1934038421291273
Energy: 1.2347569747513225
Energy: 1.2213545664311556
Energy: 1.2347569747554905
Energy: 1.1996569203765535
Energy: 1.218696945305554
Energy: 1.1935038287856743
Energy: 1.2186969453045122
Energy: 1.3598823359099244
Energy: 1.190934947834831
Energy: 1.2554425754620648
Energy: 1.1909349478358733
Energy: 1.2594626110138332
Energy: 1.2283623955779128
Energy: 1.4017035922499548
Energy: 1.2283623955779128
Energy: 1.3536718183749745
Energy: 1.194499492995921
Energy: 1.3701360860594312
Energy: 1.194499492993837
Energy: 1.590830383332081
Energy: 1.2112844064482986
Energy: 1.2711248669743977
Energy: 1.2112844064482986
Energy: 1.3070242128039136
Energy: 1.2940365133283018
Energy: 1.434119170737861
Energy: 1.2940365133262177
Energy: 1.2100619600517228
Energy: 1.2164380916094943
Energy: 1.1804663293431354
Energy: 1.2164380916105362
Energy: 1.3236754974471137
Energy: 1.220494241475422
Energy: 1.2597288978148542
Energy: 1.220494241476464
Energy: 1.2031641532654707
Energy: 1.2192985032991956
Energy: 1.1756183247584593
Energy: 1.2192985033002377
Energy: 1.2209631722517942
Energy: 1.2388300251069058
Energy: 1.243280138396447
Energy: 1.2388300251058637
Energy: 1.2017790421653751
Energy: 1.2174787111641465
Energy: 1.2212958975391919
Energy: 1.2174787111683143
Energy: 1.337179456770869
Energy: 1.2177919280226515
Energy: 1.2583524994733193
Energy: 1.2177919280226515
Energy: 1.3812778547817761
Energy: 1.1874733314082853
Energy: 1.5832755987857687
Energy: 1.1874733314072432
Energy: 1.3730472860695653
Energy: 1.1870311084986422
Energy: 1.5837388603882485
Energy: 1.1870311085038525
Energy: 1.201000833501934
Energy: 1.2176664707058888
Energy: 1.2214871249819235
Energy: 1.2176664707090152
Energy: 1.2028340459651259
Energy: 1.2179981328767173
Energy: 1.258814632339707
Energy: 1.2179981328735914
Energy: 1.198448164477617
Energy: 1.2328855657883377
Energy: 1.2116176558644751
Energy: 1.2328855657831275
Energy: 1.206531443644231
Energy: 1.2198165641689946
Energy: 1.1754148249501781
Energy: 1.2198165641648266
Energy: 1.2673676336168296
Energy: 1.2226912383432962
Energy: 1.190479119858898
Energy: 1.2226912383432962
Energy: 1.2162086967250694
Energy: 1.2167159017646707
Energy: 1.2198398798358914
Energy: 1.2167159017657128
Energy: 1.336682956643829
Energy: 1.184308768887277
Energy: 1.3825992809586751
Energy: 1.1843087688851932
Energy: 1.6083230238709565
Energy: 1.210721457205009
Energy: 1.2706369398390642
Energy: 1.2107214572081348
Energy: 1.3802379067666557
Energy: 1.1955992419886852
Energy: 1.4560036032505477
Energy: 1.1955992419948898

minimum gb energy = 1.1754148249501781 eV
minimum distance =  2.23985988666225 Angstroms
sigma value = 89


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

Energy: 1.292230760380942
Energy: 1.152454341292235
Energy: 1.4121214490871652
Energy: 1.152454341291956
Energy: 1.250332384826753
Energy: 1.3397216727989654
Energy: 1.2723731833252296
Energy: 1.3397216728000807
Energy: 1.2459826970352008
Energy: 1.1423964740270747
Energy: 1.1493953773324883
Energy: 1.1423964740292434
Energy: 1.1653029973671347
Energy: 1.1568695040291488
Energy: 1.3186649736063538
Energy: 1.1568695040277857
Energy: 1.1673790640613142
Energy: 1.1566645910435225
Energy: 1.1380906048787227
Energy: 1.1566645910421594
Energy: 1.15999325150773
Energy: 1.284388658304744
Energy: 1.2221788002191065
Energy: 1.2843886583055495
Energy: 1.1592649994826103
Energy: 1.1427478927197563
Energy: 1.1380001521888545
Energy: 1.1427478927211197
Energy: 1.1606128771417017
Energy: 1.1652563401112568
Energy: 1.2662795187433717
Energy: 1.1652563401096456
Energy: 1.2452784865398223
Energy: 1.1569084336923474
Energy: 1.139830027468637
Energy: 1.1569084336923474
Energy: 1.158789442969179
Energy: 1.1569407941120788
Energy: 1.1399230473525552
Energy: 1.156940794113442
Energy: 1.250152921583638
Energy: 1.1427154940615603
Energy: 1.2783224090896117
Energy: 1.142715494062397
Energy: 1.2485045880946921
Energy: 1.1430705142793902
Energy: 1.2765417893292172
Energy: 1.1430705142807533
Energy: 1.246412017225782
Energy: 1.1571723456520076
Energy: 1.1402017981523829
Energy: 1.1571723456520076
Energy: 1.24526024729285
Energy: 1.1567655465460103
Energy: 1.139564664098109
Energy: 1.1567655465452045
Energy: 1.1587840637788676
Energy: 1.1576099586293203
Energy: 1.1935788744346956
Energy: 1.1576099586290416

minimum gb energy = 1.1380001521888545 eV
minimum distance =  2.2365300126505 Angstroms
sigma value = 13


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

Energy: 1.2100413210424439
Energy: 1.1120767234664233
Energy: 1.4078687217737398
Energy: 1.1120767234641378
Energy: 1.1875085058943542
Energy: 1.2546727549934638
Energy: 1.1589043301788229
Energy: 1.2546727549934638
Energy: 1.1621563077160928
Energy: 1.082861219001949
Energy: 1.163946120404448
Energy: 1.0828612190008062
Energy: 1.1437006963573242
Energy: 1.1554732961018888
Energy: 1.1607704617673262
Energy: 1.1554732960893186
Energy: 1.1140619059736978
Energy: 1.0913982693580653
Energy: 1.1131518414197952
Energy: 1.0913982693569226
Energy: 1.2170332029482256
Energy: 1.090660361772771
Energy: 1.147920738185801
Energy: 1.0906603617716284
Energy: 1.1141770786351752
Energy: 1.0828902343004945
Energy: 1.1189662308922599
Energy: 1.0828902342993516
Energy: 1.1208809616371467
Energy: 1.1127662737250128
Energy: 1.114662750017152
Energy: 1.1127662737261554
Energy: 1.1132368909634618
Energy: 1.0908905018258668
Energy: 1.1048345176928653
Energy: 1.090890501824724
Energy: 1.2871021770419186
Energy: 1.0913312235530597
Energy: 1.1580400909177297
Energy: 1.0913312235542023
Energy: 1.159998125688514
Energy: 1.0819410171600827
Energy: 1.1630410564677052
Energy: 1.08194101715894
Energy: 1.1442666254984994
Energy: 1.0853863125486727
Energy: 1.112764572868615
Energy: 1.0853863125498153
Energy: 1.1725012200449496
Energy: 1.1054278208977781
Energy: 1.1907773830692139
Energy: 1.1054278208954926
Energy: 1.1940630664379175
Energy: 1.1081343287590906
Energy: 1.2847019733224974
Energy: 1.1081343287590906
Energy: 1.159717783785781
Energy: 1.08166189508827
Energy: 1.1620345334688702
Energy: 1.081661895087127
Energy: 1.1442666242499941
Energy: 1.0819877424983793
Energy: 1.1678756817308196
Energy: 1.0819877424972364
Energy: 1.1726310311687476
Energy: 1.0906723142750068
Energy: 1.1052133897338
Energy: 1.0906723142738641
Energy: 1.1180562329414172
Energy: 1.0910409563989603
Energy: 1.1688316715260139
Energy: 1.0910409563978176
Energy: 1.1143077447281458
Energy: 1.081071109053202
Energy: 1.120589680902206
Energy: 1.081071109053202
Energy: 1.1203673341163822
Energy: 1.0811452041056722
Energy: 1.1142021551811538
Energy: 1.0811452041033867
Energy: 1.1690052709164673
Energy: 1.0910437485486522
Energy: 1.1194838244275878
Energy: 1.0910437485486522
Energy: 1.1051554755436368
Energy: 1.0906667428646917
Energy: 1.1726310311653194
Energy: 1.0906667428646917
Energy: 1.1678756817296767
Energy: 1.0808613935353766
Energy: 1.144369799066869
Energy: 1.0808613935342337
Energy: 1.1620345334665847
Energy: 1.081481005186074
Energy: 1.159712132793164
Energy: 1.081481005184931
Energy: 1.2846819709130208
Energy: 1.1081272959279975
Energy: 1.194050688732724
Energy: 1.1081272959291402
Energy: 1.1907060699833971
Energy: 1.1054294713150434
Energy: 1.1725012200449496
Energy: 1.105429471317329
Energy: 1.1135965664305512
Energy: 1.0855039515251095
Energy: 1.1443362794962855
Energy: 1.0855039515251095
Energy: 1.1630410564642768
Energy: 1.0819445338646152
Energy: 1.1595499413045902
Energy: 1.0819445338646152
Energy: 1.1580823750494598
Energy: 1.091152519544256
Energy: 1.2872261184280451
Energy: 1.0911525195431133
Energy: 1.104816600862827
Energy: 1.09093130315863
Energy: 1.113204170372793
Energy: 1.09093130315863
Energy: 1.114989308166679
Energy: 1.1128167522153274
Energy: 1.1210496823310292
Energy: 1.1128167522130419
Energy: 1.1192020612721794
Energy: 1.0828911106113395
Energy: 1.114024218919942
Energy: 1.0828911106101968
Energy: 1.1477545190404852
Energy: 1.090658533821468
Energy: 1.217008166727945
Energy: 1.0906585338226107
Energy: 1.1130993667350024
Energy: 1.0914685507847481
Energy: 1.114057804733724
Energy: 1.0914685507836053
Energy: 1.1608398537085636
Energy: 1.1556200105011145
Energy: 1.1445567271553467
Energy: 1.1556200105011145

minimum gb energy = 1.0808613935342337 eV
minimum distance =  2.25299041452765 Angstroms
sigma value = 37


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

Energy: 1.2228552295477488
Energy: 1.057138853030784
Energy: 1.34708695552155
Energy: 1.0571388530313872
Energy: 1.236389755557604
Energy: 1.304671141797978
Energy: 1.1628387450177922
Energy: 1.3046711417971963
Energy: 1.1405102556729116
Energy: 1.0158344203750564
Energy: 1.1494943896069065
Energy: 1.0158344203740737
Energy: 1.181703754799296
Energy: 1.0401812310151992
Energy: 1.1627901361413366
Energy: 1.0401812310181484
Energy: 1.093073921658076
Energy: 1.015455105648957
Energy: 1.134421367600186
Energy: 1.015455105648577
Energy: 1.1822091020539953
Energy: 1.0292587496083465
Energy: 1.1030845398330869
Energy: 1.0292587496099106
Energy: 1.070126192723894
Energy: 1.0161632082511156
Energy: 1.0756488832172053
Energy: 1.0161632082518977
Energy: 1.123152919395885
Energy: 1.3786821923988877
Energy: 1.1407994058948594
Energy: 1.3786821923986865
Energy: 1.0693827577307422
Energy: 1.0145077317767022
Energy: 1.0966313476731928
Energy: 1.0145077317776852
Energy: 1.1819645778406327
Energy: 1.029823813422661
Energy: 1.0928358057818184
Energy: 1.0298238134242472
Energy: 1.0805585208985407
Energy: 1.0142807714004198
Energy: 1.0996843346251515
Energy: 1.0142807714007993
Energy: 1.0821625225779274
Energy: 1.0298279498051046
Energy: 1.2465424292063871
Energy: 1.0298279498056857
Energy: 1.1409199164629396
Energy: 1.0143027991678772
Energy: 1.1403438473808643
Energy: 1.0143027991672742
Energy: 1.0733821547119613
Energy: 1.0142072582229755
Energy: 1.1396801258577152
Energy: 1.0142072582233557
Energy: 1.1833190642430185
Energy: 1.0550201741762752
Energy: 1.13302519213412
Energy: 1.0550201741760743
Energy: 1.1628495082683596
Energy: 1.056442862764423
Energy: 1.1319401726483778
Energy: 1.056442862765004
Energy: 1.1405297780892416
Energy: 1.0140784278665647
Energy: 1.13984700169974
Energy: 1.0140784278659838
Energy: 1.1393360476513301
Energy: 1.014541665554597
Energy: 1.1398151398874894
Energy: 1.0145416655540158
Energy: 1.0796063296201996
Energy: 1.0139459568307077
Energy: 1.1330561212653838
Energy: 1.0139459568307077
Energy: 1.0824202511561052
Energy: 1.0305611457168236
Energy: 1.1408838512899626
Energy: 1.0305611457166226

minimum gb energy = 1.0139459568307077 eV
minimum distance =  2.24815535269037 Angstroms
sigma value = 25


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

Energy: 1.1496789310809317
Energy: 0.9573495987084469
Energy: 1.205755738062255
Energy: 0.9573495987069116
Energy: 1.068412703773092
Energy: 1.214271862918631
Energy: 1.0227292771939887
Energy: 1.2142718629170959
Energy: 1.0387389745981095
Energy: 0.9390034379124966
Energy: 1.107369712205426
Energy: 0.9390034379094262
Energy: 1.0537954583002602
Energy: 0.9868780291064773
Energy: 1.1090214837433126
Energy: 0.9868780291064773
Energy: 1.0436627885797436
Energy: 0.9183838705209056
Energy: 1.0190239463550748
Energy: 0.9183838705193703
Energy: 1.0539557880014692
Energy: 0.9652245342727952
Energy: 1.0592184215418727
Energy: 0.9652245342727952
Energy: 0.9918988631423353
Energy: 0.9204739483063289
Energy: 1.024274332765357
Energy: 0.9204739483063289
Energy: 1.0320030267751295
Energy: 0.9242408980647555
Energy: 1.0803767701794267
Energy: 0.9242408980647555
Energy: 0.9840050078363107
Energy: 0.9179637474045124
Energy: 0.9957627581203744
Energy: 0.9179637474045124
Energy: 1.0490409544764723
Energy: 1.2892201240094185
Energy: 1.0196416780943829
Energy: 1.2892201240109538
Energy: 0.9841625543272268
Energy: 0.9178201515676534
Energy: 0.9971222251434848
Energy: 0.9178201515676534
Energy: 1.031229086071678
Energy: 0.9272325568577647
Energy: 1.0799109091743264
Energy: 0.9272325568608352
Energy: 0.9855991879782132
Energy: 0.918041868867574
Energy: 1.0183927543444842
Energy: 0.9180418688691093
Energy: 1.0281424838985516
Energy: 1.0246898331800274
Energy: 1.019018076412214
Energy: 1.024689833178492
Energy: 1.0323343071929687
Energy: 0.917861444478221
Energy: 1.021837124560621
Energy: 0.9178614444766857
Energy: 1.0463897039033745
Energy: 0.9175565618714444
Energy: 0.9959530839876856
Energy: 0.9175565618699094
Energy: 1.0360436015905425
Energy: 0.9391627540826131
Energy: 1.082789175626332
Energy: 0.9391627540841482
Energy: 0.9906548288846457
Energy: 0.9693210841821563
Energy: 1.059722131500841
Energy: 0.9693210841821563
Energy: 1.122710194394311
Energy: 0.9562448985389367
Energy: 1.0223100462960235
Energy: 0.956244898540472
Energy: 1.0683301185627356
Energy: 0.9562681995199123
Energy: 1.026832486857102
Energy: 0.9562681995199123
Energy: 1.0360716139082542
Energy: 0.9393530767219181
Energy: 1.0825694361616005
Energy: 0.9393530767219181
Energy: 1.030731109999137
Energy: 0.939083679034954
Energy: 1.0595021263189963
Energy: 0.939083679034954
Energy: 1.0326996619023423
Energy: 0.9186282530869831
Energy: 1.0187703189165682
Energy: 0.9186282530885184
Energy: 1.0680161231448635
Energy: 0.9193691776440266
Energy: 1.0413761309950436
Energy: 0.9193691776424914
Energy: 0.9871384393637667
Energy: 0.9187224311100947
Energy: 1.0184349254599943
Energy: 0.9187224311100947
Energy: 1.0367456540794096
Energy: 0.9244590890469105
Energy: 1.0187839298052552
Energy: 0.9244590890453753

minimum gb energy = 0.9175565618699094 eV
minimum distance =  2.25583817412357 Angstroms
sigma value = 41


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

Energy: 1.1173443703574784
Energy: 0.8902343823736159
Energy: 1.095279661868734
Energy: 0.8902343823710986
Energy: 0.9491022027847396
Energy: 1.0458317928583052
Energy: 0.9795679083118565
Energy: 1.0458317928658283
Energy: 0.9577671728122041
Energy: 0.8630207689378522
Energy: 1.0512944430625846
Energy: 0.8630207689353347
Energy: 0.9737642521137265
Energy: 0.9213409418420551
Energy: 0.9785410012796635
Energy: 0.9213409418445723
Energy: 1.0252245695084203
Energy: 0.8524221315159349
Energy: 0.9367571510638802
Energy: 0.8524221315159349
Energy: 0.974229919010782
Energy: 0.9131376831146522
Energy: 0.9731919907860801
Energy: 0.9131376831133935
Energy: 0.9360587983190262
Energy: 0.8409313124788206
Energy: 0.9720468693358804
Energy: 0.8409313124750446
Energy: 0.9756360208464859
Energy: 0.9157617559307385
Energy: 0.9728725059377682
Energy: 0.9157617559294798
Energy: 0.9650671462052421
Energy: 0.8410040410075487
Energy: 0.9183650463773531
Energy: 0.8410040410088072
Energy: 1.0020612347744402
Energy: 0.9578813048132938
Energy: 0.9734477384926158
Energy: 0.95788130474158
Energy: 0.9351852213264801
Energy: 0.8409216817061618
Energy: 0.9284077107793474
Energy: 0.8409216817049031
Energy: 0.9510768814889411
Energy: 1.227714513658063
Energy: 0.98542626881905
Energy: 1.227714513658063
Energy: 0.9363415991595033
Energy: 0.8410420144924261
Energy: 0.9272204315830441
Energy: 0.8410420144936847
Energy: 1.0042542176479734
Energy: 0.8482647866725477
Energy: 0.9683785974299883
Energy: 0.8482647866775822
Energy: 0.9626138013048838
Energy: 0.8410807348918574
Energy: 0.9171560571637289
Energy: 0.8410807348968922
Energy: 0.9585341266100363
Energy: 0.9479132549210213
Energy: 1.0285166408733923
Energy: 0.94791325492228
Energy: 0.9408995051987109
Energy: 0.8410455603253706
Energy: 0.9679291832350756
Energy: 0.8410455603278878
Energy: 0.9771262769926597
Energy: 0.8410856499963082
Energy: 0.9801253142986726
Energy: 0.8410856499950495
Energy: 1.0077195832462602
Energy: 0.8523748411725882
Energy: 0.9385487117308605
Energy: 0.8523748411700709
Energy: 0.9843765529127859
Energy: 0.914254277224073
Energy: 0.9428733290021672
Energy: 0.9142542772228145
Energy: 0.95544710112774
Energy: 0.8619322864655193
Energy: 1.028994866030588
Energy: 0.8619322864642609
Energy: 0.9488139028676628
Energy: 0.9297445460313317
Energy: 0.9786760290836425
Energy: 0.9297445460288145
Energy: 1.085749672890214
Energy: 0.8897384937343357
Energy: 0.9401947062344608
Energy: 0.8897384937355943
Energy: 1.0047075809484962
Energy: 0.9263996917201184
Energy: 0.9513069349941355
Energy: 0.9263996917176011
Energy: 0.9554603839846697
Energy: 0.8619909065510939
Energy: 1.0290900000633771
Energy: 0.8619909065485766
Energy: 0.9770094197830008
Energy: 0.9037031324498734
Energy: 0.9787937021319232
Energy: 0.9037031324498734
Energy: 1.0076190886120675
Energy: 0.8524959049750543
Energy: 0.9405289033185819
Energy: 0.8524959049813475
Energy: 0.9853343517200653
Energy: 0.8516255932077071
Energy: 0.9790016446557361
Energy: 0.8516255932077071
Energy: 0.9381110368480509
Energy: 0.8411729297200757
Energy: 0.9679942729265401
Energy: 0.841172929718817
Energy: 0.9745169958562006
Energy: 0.8407261203050452
Energy: 0.9760796920239259
Energy: 0.8407261203100798
Energy: 0.9633664808015158
Energy: 0.8410373445340829
Energy: 0.920003210530821
Energy: 0.8410373445353414
Energy: 0.9589508505696047
Energy: 0.8451677199972192
Energy: 0.9631218202556098
Energy: 0.8451677199997365

minimum gb energy = 0.8407261203050452 eV
minimum distance =  2.25888701738331 Angstroms
sigma value = 15


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

Energy: 1.0511016990900015
Energy: 0.8257581802210382
Energy: 1.0498581056107847
Energy: 0.8257581802189057
Energy: 0.9221267469471479
Energy: 0.9672701858599579
Energy: 0.9059856125948462
Energy: 0.9672701858578255
Energy: 0.8905254599933367
Energy: 0.8125712586262375
Energy: 0.9962631080552726
Energy: 0.8125712586230873
Energy: 0.9165516980982612
Energy: 0.8541396936053024
Energy: 0.9065716534080341
Energy: 0.8541396936010376
Energy: 0.9748987183465585
Energy: 0.7947386727435385
Energy: 0.8720650099111096
Energy: 0.7947386727382072
Energy: 0.9168879365066129
Energy: 0.8501825048697251
Energy: 0.9084324327785882
Energy: 0.8501825048643938
Energy: 0.8662902582034898
Energy: 0.7870969220781973
Energy: 0.9424562752419385
Energy: 0.7870969220781973
Energy: 0.9092491395713918
Energy: 0.8460390914034241
Energy: 0.9085551292581148
Energy: 0.8460390914034241
Energy: 0.9187589280470783
Energy: 0.778780128850774
Energy: 0.857431262863676
Energy: 0.778780128850774
Energy: 0.909484922542761
Energy: 0.8526982215489977
Energy: 0.9108424216288421
Energy: 0.8526982215521965
Energy: 0.8650541676440452
Energy: 0.7784314203159416
Energy: 0.8950045456410238
Energy: 0.7784314203148753
Energy: 0.9096227514242375
Energy: 0.8980126746134406
Energy: 0.9381541578560251
Energy: 0.8980126866886255
Energy: 0.8825668238938097
Energy: 0.7801107289791882
Energy: 0.8689998586253409
Energy: 0.7801107289813208
Energy: 0.9225869691819977
Energy: 0.7943192298083501
Energy: 0.8971544305462321
Energy: 0.7943192298030188
Energy: 0.8820783449572366
Energy: 0.7789062792290493
Energy: 0.868230476677973
Energy: 0.7789062792311817
Energy: 0.9115937135934903
Energy: 0.7978645088651425
Energy: 0.9436660970630706
Energy: 0.7978645088672749
Energy: 0.8663268105087432
Energy: 0.7790658831158411
Energy: 0.8936856589459743
Energy: 0.7790658831169074
Energy: 0.9510070373020396
Energy: 0.8868867997434547
Energy: 0.906402346479332
Energy: 0.886886799718931
Energy: 0.9182008543816914
Energy: 0.7789046996808122
Energy: 0.8593766468758409
Energy: 0.7789046996786798
Energy: 0.9127093856958511
Energy: 0.7920913471295724
Energy: 0.9059724388129323
Energy: 0.7920913471306386
Energy: 0.8692824913357214
Energy: 0.7855791306829568
Energy: 0.9222693269796225
Energy: 0.7855791306818903
Energy: 0.9069068236038602
Energy: 0.8453019525216446
Energy: 0.926721551240655
Energy: 0.845301952522711
Energy: 0.9620882948521731
Energy: 0.7949936234183996
Energy: 0.8730170629372946
Energy: 0.7949936234183996
Energy: 0.911001656864982
Energy: 0.8521142312331791
Energy: 0.8876697376880706
Energy: 0.8521142312363779
Energy: 0.8892875854646252
Energy: 0.8117116842784107
Energy: 0.9746968773469429
Energy: 0.8117116842805431
Energy: 0.8839058543677188
Energy: 0.8618148763918693
Energy: 0.9281155599568587
Energy: 0.861814876395068
Energy: 1.024012886398107
Energy: 0.824134939472456
Energy: 0.8749592726593225
Energy: 0.824134939472456
Energy: 0.9221192115504497
Energy: 0.8667634555705215
Energy: 0.8832718287380912
Energy: 0.8667634555737204
Energy: 0.8954653905938981
Energy: 0.8108269063029421
Energy: 0.9758221071485851
Energy: 0.8108269063040083
Energy: 0.9055493138136894
Energy: 0.8523648948308757
Energy: 0.928179053765409
Energy: 0.8523648948319419
Energy: 0.9620024575302546
Energy: 0.7947991291593806
Energy: 0.8745730696716648
Energy: 0.7947991291561819
Energy: 0.9110073197859192
Energy: 0.8479689633165355
Energy: 0.9060727561694861
Energy: 0.8479689633154691
Energy: 0.8677703156892019
Energy: 0.7856336162847544
Energy: 0.9223314689485977
Energy: 0.7856336162858206
Energy: 0.9071781510168389
Energy: 0.7864145982944803
Energy: 0.9203101160311943
Energy: 0.7864145982923478
Energy: 0.9182082851685306
Energy: 0.7784717027931446
Energy: 0.8756429731017629
Energy: 0.7784717027920782
Energy: 0.9128508294668313
Energy: 0.7894958971165243
Energy: 0.9097563823981998
Energy: 0.7894958971197231
Energy: 0.864399705439667
Energy: 0.7784950046203097
Energy: 0.8935621755651347
Energy: 0.7784950046224421

minimum gb energy = 0.7784314203148753 eV
minimum distance =  2.26183358489454 Angstroms
sigma value = 85


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

Energy: 1.0452173208273128
Energy: 0.7864346697550522
Energy: 0.892572509411685
Energy: 0.7864346697541272
Energy: 0.8114642806176655
Energy: 0.9156235589857334
Energy: 0.8465079506388871
Energy: 0.9156235589866583
Energy: 0.7945224349513303
Energy: 0.7808942786154267
Energy: 1.0046416317135813
Energy: 0.7808942786163513
Energy: 0.8336506062742832
Energy: 0.7673337597402331
Energy: 0.856184864808287
Energy: 0.7673337597402331
Energy: 0.9584689733953443
Energy: 0.7439205139081019
Energy: 0.7862064955877036
Energy: 0.7439205139118009
Energy: 0.8334018388299882
Energy: 0.763900298200962
Energy: 0.8448337730835741
Energy: 0.7639002982018865
Energy: 0.7896114691964178
Energy: 0.7430595522271771
Energy: 0.9262701547088513
Energy: 0.743059552228102
Energy: 0.8346609303356547
Energy: 0.8128924330630636
Energy: 0.8450085897868347
Energy: 0.8128924330621387
Energy: 0.891767260368896
Energy: 0.720853751924885
Energy: 0.8049570432943722
Energy: 0.7208537519239603
Energy: 0.8346889448568956
Energy: 0.778017591464824
Energy: 0.848785258134193
Energy: 0.7780175914638991
Energy: 0.779687559373013
Energy: 0.7205320368752934
Energy: 0.8663381533067456
Energy: 0.7205320368743685
Energy: 0.8495501581035542
Energy: 0.7930234830347341
Energy: 0.8489607836770289
Energy: 0.7930234830338304
Energy: 0.8360032250643263
Energy: 0.7198758821157396
Energy: 0.8030680656525176
Energy: 0.7198758821148148
Energy: 0.8766518471809388
Energy: 0.7337155662174009
Energy: 0.8489409977702327
Energy: 0.7337155662174009
Energy: 0.7940212916459003
Energy: 0.72074752616651
Energy: 0.8249236914174921
Energy: 0.7207475261646604
Energy: 0.8394927160252509
Energy: 0.7318547839825529
Energy: 0.8576352281552285
Energy: 0.7318547839797787
Energy: 0.7979550747248239
Energy: 0.7207516943832438
Energy: 0.8206194232452216
Energy: 0.720751694386018
Energy: 0.8781279886538518
Energy: 0.9158014934643882
Energy: 0.8481318984698457
Energy: 0.9158014934634846
Energy: 0.8282707165060619
Energy: 0.7204590524014953
Energy: 0.80401916660521
Energy: 0.7204590524014953
Energy: 0.8519192449295743
Energy: 0.828151332297128
Energy: 0.8783898410233884
Energy: 0.8281513322989775
Energy: 0.7769727981873726
Energy: 0.7205360637761037
Energy: 0.8579325660787901
Energy: 0.7205360637779531
Energy: 0.8347321861773978
Energy: 0.7145460705935648
Energy: 0.8472683215789143
Energy: 0.7145460705954141
Energy: 0.8700254044419835
Energy: 0.7192880650024286
Energy: 0.8089401593753673
Energy: 0.7192880650024286
Energy: 0.8577626589577657
Energy: 0.7764142099879027
Energy: 0.8235591501389082
Energy: 0.7764142099888274
Energy: 0.7911046078570558
Energy: 0.742484508857011
Energy: 0.906149120087811
Energy: 0.7424845088551615
Energy: 0.8335731706949695
Energy: 0.8209060524196592
Energy: 0.8448484839062455
Energy: 0.820906052420584
Energy: 0.9231983938674557
Energy: 0.743461973753477
Energy: 0.7870697624191513
Energy: 0.7434619737562512
Energy: 0.8672924581135771
Energy: 0.777659695811081
Energy: 0.7922821532478176
Energy: 0.7776596958120057
Energy: 0.7937665466240633
Energy: 0.7813006780577656
Energy: 0.9629980059105236
Energy: 0.7813006780559161
Energy: 0.8115234891452616
Energy: 0.7697374866375131
Energy: 0.8468001976206562
Energy: 0.769737486638438
Energy: 0.961916870077237
Energy: 0.7865908649066568
Energy: 0.7884778487473193
Energy: 0.7865908649066568
Energy: 0.880023158250051
Energy: 0.7899979641093189
Energy: 0.7921799878839592
Energy: 0.7899979641065445
Energy: 0.7936854570788414
Energy: 0.781183612403348
Energy: 0.9629900223591938
Energy: 0.7811836124024234
Energy: 0.833433570287322
Energy: 0.767376536120994
Energy: 0.8476988534636758
Energy: 0.7673765361228436
Energy: 0.923034157026843
Energy: 0.7440888616171552
Energy: 0.7883044904647396
Energy: 0.7440888616171552
Energy: 0.86721869437795
Energy: 0.7764954888427318
Energy: 0.8233454780949524
Energy: 0.7764954888445813
Energy: 0.7907446787236825
Energy: 0.7424791612908557
Energy: 0.9061261654678263
Energy: 0.7424791612917805
Energy: 0.8345828177493774
Energy: 0.7108368061788198
Energy: 0.8449046984955619
Energy: 0.7108368061797447
Energy: 0.8696889619203977
Energy: 0.7194540421366589
Energy: 0.8040154467662003
Energy: 0.7194540421357343
Energy: 0.8580845224721768
Energy: 0.7096753815259156
Energy: 0.8371427791659398
Energy: 0.7096753815231414
Energy: 0.7795099084372588
Energy: 0.7195854904033039
Energy: 0.8580673244101502
Energy: 0.7195854904023792
Energy: 0.8493549917361071
Energy: 0.7144847228910621
Energy: 0.8476169925430983
Energy: 0.7144847228938364
Energy: 0.8283811278394668
Energy: 0.7097793793360656
Energy: 0.8038486189657955
Energy: 0.7097793793379151

minimum gb energy = 0.7096753815231414 eV
minimum distance =  2.26534899895105 Angstroms
sigma value = 113


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

Energy: 0.014073979380611893
Energy: 0.01417582554259406
Energy: 1.3931583338817002
Energy: 0.014175825543304965
Energy: 0.015235147681707547
Energy: 0.665713281597226
Energy: 0.015235147681707547
Energy: 0.665713281597226
Energy: 1.3783883501731797
Energy: 0.01417582554259406
Energy: 0.014073979379900988
Energy: 0.01417582554259406
Energy: 0.015235147681707547
Energy: 0.665713281597226
Energy: 0.015235147681707547
Energy: 0.6657132815986083
Energy: 0.014073979380611893
Energy: 0.01417582554259406
Energy: 1.3931583338837934
Energy: 0.014175825543304965
Energy: 0.015235147680996642
Energy: 0.665713281597226
Energy: 0.015235147681707547
Energy: 0.665713281597226

minimum gb energy = 0.014073979379900988 eV
minimum distance =  2.4105142664263 Angstroms
sigma value = 1