Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.646125234663486
cohesive_energy=3.9070925642619274
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.018222901467450568
Energy: 0.7792052353198013
Energy: 0.45369187880626144
Energy: 0.7793860885468059
Energy: 0.018222901467702272
Energy: 0.7792052353198013
Energy: 0.45369187880673695
Energy: 0.876363261493237
Energy: 0.018770051238290078
Energy: 0.39297013750272586
Energy: 0.018823286041452166
Energy: 0.876363261493964
Energy: 0.018770051238290078
Energy: 0.3929701375022225
Energy: 0.018222901467450568
Energy: 0.7792052353198013
Energy: 0.4536918788069886
Energy: 0.7793860885468059
Energy: 0.018222901467702272
Energy: 0.779205235319298
Energy: 0.45369187880626144
Energy: 0.876363261493237
Energy: 0.018770051238541783
Energy: 0.3929701375024741
Energy: 0.018823286041200458
Energy: 0.876363261493964
Energy: 0.018770051238290078
Energy: 0.3929701375024741
Energy: 0.018222901467450568
Energy: 0.7792052353198013
Energy: 0.4536918788069886
Energy: 0.7793860885465541
Energy: 0.018222901467702272
Energy: 0.7792052353195497
Energy: 0.45369187880673695
Energy: 0.876363261493237
Energy: 0.018770051238541783
Energy: 0.3929701375024741
Energy: 0.018823286041452166
Energy: 0.876363261493964
Energy: 0.01877005123778666
Energy: 0.39297013750272586

minimum gb energy = 0.018222901467450568 eV
minimum distance =  2.56059296467764 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.9027095829474499
Energy: 1.788979637116939
Energy: 1.8175007400439562
Energy: 1.7892267954203274
Energy: 1.90270958295647
Energy: 1.7889796371289661
Energy: 1.8175007400559833
Energy: 1.771035489138201
Energy: 1.7580835805400632
Energy: 1.8097775891101915
Energy: 1.7826036671634349
Energy: 1.7710354891562416
Energy: 1.7580835805340498
Energy: 1.8097775891131982
Energy: 1.7790257625312995
Energy: 1.7795962079932837
Energy: 1.7590206620481024
Energy: 1.7751746703054812
Energy: 1.7790257625373131
Energy: 1.779596207990277
Energy: 1.759020662051109
Energy: 1.8489423645294212
Energy: 1.794400335691401
Energy: 1.7679454810939295
Energy: 1.8116308740867892
Energy: 1.8489423645264145
Energy: 1.794400335691401
Energy: 1.767945481087916
Energy: 1.8104883328479549
Energy: 1.761291625057622
Energy: 1.7553549042076446
Energy: 1.7750460511236164
Energy: 1.810488332835928
Energy: 1.761291625057622
Energy: 1.755354904204638
Energy: 1.7926746381654106
Energy: 1.804211967487323
Energy: 1.7976330539559466
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Energy: 1.8042119674933366
Energy: 1.7976330539529397
Energy: 1.7769454796386686
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Energy: 1.8142991274363143
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Energy: 1.7696247976177752
Energy: 1.77570319007398
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Energy: 1.7623098014936511
Energy: 1.777860925757303
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Energy: 1.8097172411095248
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Energy: 1.8043692711493842
Energy: 1.7980184798308076
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Energy: 1.8102242349031605
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Energy: 1.8103303826809614
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Energy: 1.7672139361196935
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Energy: 1.7716066904038172
Energy: 1.8184488253145108
Energy: 1.803216216400242
Energy: 1.8332765220635534
Energy: 1.7716066904187964
Energy: 1.7559867625777001
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Energy: 1.7979043119110918
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Energy: 1.7559867625777001
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Energy: 1.7934647761961833
Energy: 1.7928674692673388
Energy: 1.8087022297252195
Energy: 1.8044263906149136
Energy: 1.7934647762112168
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Energy: 1.7692555552788647
Energy: 1.8000521890214551
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Energy: 1.8015960293236253
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Energy: 1.7764503454939577
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Energy: 1.7983915684315388
Energy: 1.7412345914489187
Energy: 1.8136412140742797
Energy: 1.7918967073909597
Energy: 1.7983915684255252
Energy: 1.7412345914429053
Energy: 1.7757211525926262
Energy: 1.7594928181832408
Energy: 1.798113394646823
Energy: 1.7984211528252867
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Energy: 1.798113394646823
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Energy: 1.7976943120954265
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Energy: 1.8044820955818937
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Energy: 1.8155523102203501
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Energy: 1.8025370422586058
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Energy: 1.7747402661864975
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Energy: 1.8072742999429106
Energy: 1.8196051212035973
Energy: 1.8059350745699907
Energy: 1.813429245312883
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Energy: 1.794252631960287
Energy: 1.7972561745268514
Energy: 1.751041149752362
Energy: 1.7820028098645346
Energy: 1.7942526319813341
Energy: 1.7972561745238447
Energy: 1.7510411497433416
Energy: 1.8860263398901336
Energy: 1.7519176517881232
Energy: 1.7834297602691969
Energy: 1.7655127030649962
Energy: 1.88602633988412
Energy: 1.7519176517761506
Energy: 1.783429760281224
Energy: 1.8589862125200223
Energy: 1.850431088223612
Energy: 1.7767131160927336
Energy: 1.8505019564726688
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Energy: 1.850431088235639
Energy: 1.7767131160837135
Energy: 1.7813116921859034
Energy: 1.795124007320477
Energy: 1.723330177895658
Energy: 1.7502176520998316
Energy: 1.7813116921678624
Energy: 1.7951240073234838
Energy: 1.7233301778776178
Energy: 1.764991539311329
Energy: 1.7828471249063151
Energy: 1.855885960506612
Energy: 1.7998451713477228
Energy: 1.7649915393143356
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Energy: 1.855885960506612
Energy: 1.81060448803826
Energy: 1.8306507953403792
Energy: 1.7710972506697884
Energy: 1.8201404385032045
Energy: 1.8106044880292396
Energy: 1.8306507953493996
Energy: 1.7710972506788087
Energy: 1.777155340014013
Energy: 1.776260658304465
Energy: 1.7812916072007916
Energy: 1.745829108225301
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Energy: 1.8136379638782092
Energy: 1.8068491162311604
Energy: 1.7761159201810857
Energy: 1.7795147835322638
Energy: 1.8136379638782092
Energy: 1.806849116237174
Energy: 1.7761159201720655
Energy: 1.8182870378819607
Energy: 1.778476408817376
Energy: 1.7686856459431424
Energy: 1.778057415648757
Energy: 1.8182870378819607
Energy: 1.7784764088263962
Energy: 1.7686856459521627
Energy: 1.776903488203916
Energy: 1.7804595017311906
Energy: 1.7989002549076176
Energy: 1.7914845566635378
Energy: 1.7769034882099295
Energy: 1.7804595017311906
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Energy: 1.809664674714273
Energy: 1.8042359649735504
Energy: 1.7702683625709716
Energy: 1.7920310596895812
Energy: 1.8096646747082596
Energy: 1.80423596496453
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Energy: 1.8097887750530048
Energy: 1.7933335774995645
Energy: 1.7983180795196354
Energy: 1.7426441714627106
Energy: 1.809788775040978
Energy: 1.7933335775025712
Energy: 1.7626982291244888
Energy: 1.7894913880811023
Energy: 1.798939761214289
Energy: 1.7604476876558512
Energy: 1.76269822910951
Energy: 1.7894913880931294
Energy: 1.7989397612052689
Energy: 1.7913300377593746
Energy: 1.849794985488793
Energy: 1.7370391710914532
Energy: 1.818328404725117
Energy: 1.791330037756368
Energy: 1.8497949854917997
Energy: 1.7370391710854398
Energy: 1.7611902707664766
Energy: 1.7424281058147462
Energy: 1.7754744924188142
Energy: 1.7865232689300998
Energy: 1.76119027077249
Energy: 1.7424281058267184
Energy: 1.775474492409794
Energy: 1.7757011758191357
Energy: 1.7957456456048109
Energy: 1.8080121895940062
Energy: 1.7949690451584233
Energy: 1.7757011758221424
Energy: 1.7957456455987975
Energy: 1.8080121895940062
Energy: 1.8311566126144594
Energy: 1.7819990094287148
Energy: 1.7976653677352006
Energy: 1.745665631289978
Energy: 1.8311566126144594
Energy: 1.7819990094136813
Energy: 1.7976653677472276
Energy: 1.803118204354991
Energy: 1.8181509899166102
Energy: 1.7743451276923388
Energy: 1.8334918251787693
Energy: 1.8031182043579974
Energy: 1.818150989919617
Energy: 1.7743451276863798
Energy: 1.7817481071891592
Energy: 1.7922244089738426
Energy: 1.7812332466187006
Energy: 1.7836553015305063
Energy: 1.7817481071951726
Energy: 1.792224408979856
Energy: 1.7812332466187006
Energy: 1.7425884226323203
Energy: 1.8096121123785227
Energy: 1.7620269865760645
Energy: 1.8077401301296074
Energy: 1.7425884226232997
Energy: 1.8096121123725093
Energy: 1.7620269865850846
Energy: 1.809694400063746
Energy: 1.8155348537843103
Energy: 1.794835234994762
Energy: 1.8148824280728373
Energy: 1.8096944000667528
Energy: 1.8155348537813034
Energy: 1.7948352350067345
Energy: 1.7427868419701535
Energy: 1.8098364907881082
Energy: 1.7813203209125468
Energy: 1.7988621056591667
Energy: 1.74278684197316
Energy: 1.8098364907820947
Energy: 1.7813203209185602

minimum gb energy = 1.7233301778776178 eV
minimum distance =  2.28559156304777 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.8012523119343058
Energy: 1.8494653856460617
Energy: 1.7849416424590057
Energy: 1.8665199220362532
Energy: 1.8012523119418145
Energy: 1.8494653856433312
Energy: 1.7849416424494493
Energy: 1.7795427760661038
Energy: 1.873049839307845
Energy: 1.7842372041806145
Energy: 1.8261308457066752
Energy: 1.7795427760650488
Energy: 1.87304983930921
Energy: 1.7842372041796217
Energy: 1.7652855639880585
Energy: 1.8755935485031416
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Energy: 1.76528556398055
Energy: 1.875593548499046
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Energy: 1.771667455251532
Energy: 1.8712262930821446
Energy: 1.784709412425496
Energy: 1.7683505595526088
Energy: 1.7716674552508496
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Energy: 1.7719773319614103
Energy: 1.8768234035393543
Energy: 1.7820055205772944
Energy: 1.816643636762903
Energy: 1.7719773319655054
Energy: 1.8768234035441322
Energy: 1.7820055205741916
Energy: 1.764779628804368
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Energy: 1.7774691169020695
Energy: 1.8624720491642885
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Energy: 1.7774691168989667
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Energy: 1.7602590491667895
Energy: 1.818272817242033
Energy: 1.7781004456388012
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Energy: 1.7913060974573092
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Energy: 1.8723920750204963
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Energy: 1.811773070833207
Energy: 1.933906289332511
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Energy: 1.7652128202609227
Energy: 1.8282305124479405
Energy: 1.7894022438120656
Energy: 1.877601505819867
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Energy: 1.7818004111488102
Energy: 1.7815112492559326
Energy: 1.8566827561838848
Energy: 1.7847219135585857
Energy: 1.8312351317442535
Energy: 1.7815112492511544
Energy: 1.8566827561845676
Energy: 1.7847219135507049
Energy: 1.801252311932258
Energy: 1.8494653856481094
Energy: 1.7849416424596882
Energy: 1.8665199220342055
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Energy: 1.784941642451497
Energy: 1.7795427760691445
Energy: 1.8730498393095203
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Energy: 1.8730498393085275
Energy: 1.7842372041792494
Energy: 1.7652855639866933
Energy: 1.8755935485021489
Energy: 1.7825144016778534
Energy: 1.8287700824363078
Energy: 1.7652855639819152
Energy: 1.8755935485004112
Energy: 1.7825144016815768
Energy: 1.7716674552501672
Energy: 1.8712262930818346
Energy: 1.7847094124285987
Energy: 1.7683505595532911
Energy: 1.7716674552474365
Energy: 1.871226293089653
Energy: 1.7847094124306466
Energy: 1.7719773319620926
Energy: 1.87682340354376
Energy: 1.7820055205755567
Energy: 1.816643636761538
Energy: 1.7719773319658159
Energy: 1.8768234035478557
Energy: 1.7820055205752463
Energy: 1.7647796287995898
Energy: 1.8622756517104742
Energy: 1.7774691168993388
Energy: 1.8624720491659639
Energy: 1.7647796287913984
Energy: 1.8622756517094814
Energy: 1.7774691168952432
Energy: 1.7599850169643507
Energy: 1.8086433922848457
Energy: 1.7792239274304034
Energy: 1.8172853043037962
Energy: 1.7599850169684461
Energy: 1.808643392285218
Energy: 1.8220994388355385
Energy: 1.7602590491661072
Energy: 1.8182728172424052
Energy: 1.7781004456459375
Energy: 1.813238158904552
Energy: 1.7602590491729329
Energy: 1.8182728172362619
Energy: 1.778100445636381
Energy: 1.7648050551909271
Energy: 1.8167646447336692
Energy: 1.7904521595405363
Energy: 1.874110564932146
Energy: 1.7648050551834185
Energy: 1.8167646447316215
Energy: 1.7904521595453147
Energy: 1.7715027783899568
Energy: 1.8723920750214893
Energy: 1.7834705422772288
Energy: 1.874787942396883
Energy: 1.7715027783906394
Energy: 1.872392075023537
Energy: 1.7834705422717683
Energy: 1.7716246964159446
Energy: 1.810455494204148
Energy: 1.9339062893307735
Energy: 1.8758224993784274
Energy: 1.771624696423391
Energy: 1.8104554942058235
Energy: 1.9339062893341863
Energy: 1.7652281455056058
Energy: 1.8282305124489333
Energy: 1.7818004111440322
Energy: 1.8776015058208597
Energy: 1.7652281455131145
Energy: 1.8282305124462028
Energy: 1.7818004111485002
Energy: 1.7938212741310642
Energy: 1.8566827561832022
Energy: 1.784721913557531
Energy: 1.8312351317472937
Energy: 1.7938212741280235
Energy: 1.8566827561859327
Energy: 1.78472191355207
Energy: 1.8049875426467847
Energy: 1.8494653856474268
Energy: 1.7849416424593778
Energy: 1.8665199220332125
Energy: 1.8049875426536108
Energy: 1.8494653856467442
Energy: 1.7849416424480842
Energy: 1.779542776069827
Energy: 1.873049839305797
Energy: 1.7842372041850825
Energy: 1.8283036152600105
Energy: 1.7795427760681515
Energy: 1.8730498393064798
Energy: 1.784237204180987

minimum gb energy = 1.7599850169643507 eV
minimum distance =  2.31879980505216 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.9635874727688112
Energy: 1.8371342066831162
Energy: 1.9547421570301122
Energy: 1.8370953548231306
Energy: 1.9635874727703873
Energy: 1.837134206681934
Energy: 1.9591418274211296
Energy: 1.962823531508413
Energy: 1.8076705712658367
Energy: 1.857784197288124
Energy: 1.854804129515768
Energy: 1.9628235315095957
Energy: 1.8076705712729304
Energy: 1.8577841972893063
Energy: 1.7796986345485721
Energy: 1.7834029157140698
Energy: 1.9658120160121255
Energy: 1.8399013200075924
Energy: 1.7796986345473897
Energy: 1.7834029157117053
Energy: 1.883965298825758
Energy: 1.8320014407286018
Energy: 1.8435373583552443
Energy: 1.8409927742942118
Energy: 1.7838847374031046
Energy: 1.8320014407289957
Energy: 1.8435373583544559
Energy: 1.8409927742922414
Energy: 1.9325814356414759
Energy: 1.845934318371243
Energy: 1.9222938278807815
Energy: 1.7789826067644365
Energy: 1.9325814356434463
Energy: 1.8459343183645431
Energy: 1.910082935203656
Energy: 1.8322590861012482
Energy: 1.825614021479259
Energy: 1.8107653786174185
Energy: 1.8039417841172016
Energy: 1.832259086099278
Energy: 1.8256140214761065
Energy: 1.8107653786178128
Energy: 1.93472410955694
Energy: 1.8373508053834293
Energy: 1.8208695562724997
Energy: 1.879412129563995
Energy: 1.934724109556152
Energy: 1.8373508053838234
Energy: 1.8208695562740762
Energy: 1.832330688924908
Energy: 1.8538680332956223
Energy: 1.8512631006257694
Energy: 1.8435317984773434
Energy: 1.8323306889221493
Energy: 1.8538680332995634
Energy: 1.8512631006261637
Energy: 1.9350247026173906
Energy: 1.8434309078145161
Energy: 1.8685606642195116
Energy: 1.8552774351846597
Energy: 1.9350247026193612
Energy: 1.8434309078156985
Energy: 1.8357175680406994
Energy: 1.824112161021438
Energy: 1.8603668813585703
Energy: 1.9462257058347654
Energy: 1.8383352037197305
Energy: 1.824112161017103
Energy: 1.8603668813636576
Energy: 1.9462257058343713
Energy: 1.933469738822749
Energy: 1.8646579540597794
Energy: 1.869121763359473
Energy: 1.7842095901332304
Energy: 1.9334697388207784
Energy: 1.864657954062144
Energy: 1.8691217633567143
Energy: 1.8662551650714336
Energy: 1.8663328001370647
Energy: 1.9108696992647283
Energy: 1.9057412264936173
Energy: 1.866255165075339
Energy: 1.866332800138247
Energy: 1.9108696992647283
Energy: 1.913159164164707
Energy: 1.8146496173829398
Energy: 1.9221570279000317
Energy: 1.83626610258557
Energy: 1.9131591641654953
Energy: 1.8146496173793931
Energy: 1.922157027897273
Energy: 1.8970845092323438
Energy: 1.785261770331446
Energy: 1.9370335797771105
Energy: 1.819514163324127
Energy: 1.8970845092323438
Energy: 1.785261770332234
Energy: 1.9370335797775045
Energy: 1.8677161114275533
Energy: 1.8362572840727276
Energy: 1.9221443339630373
Energy: 1.802746809409516
Energy: 1.8677161114314944
Energy: 1.8362572840687867
Energy: 1.9221443339638253
Energy: 1.8663029087003284
Energy: 1.9055079877270795
Energy: 1.910724254020421
Energy: 1.866346401253969
Energy: 1.8663029087038754
Energy: 1.905507987725109
Energy: 1.9107242540227856
Energy: 1.9335060375687583
Energy: 1.8264849156412173
Energy: 1.8694233015226727
Energy: 1.8648096165440176
Energy: 1.9335060375675759
Energy: 1.826484915639641
Energy: 1.869423301520308
Energy: 1.8698295873800963
Energy: 1.8383422594620504
Energy: 1.99079621371986
Energy: 1.860516585031874
Energy: 1.8698295873797022
Energy: 1.8383422594632328
Energy: 1.9907962137178896
Energy: 1.9353095303926007
Energy: 1.8552802949661125
Energy: 1.840831842551894
Energy: 1.8434469800189888
Energy: 1.9353095303957535
Energy: 1.85528029496493
Energy: 1.8408318425503172
Energy: 1.8323065218493866
Energy: 1.84368916097606
Energy: 1.8511853389413728
Energy: 1.854430677913549
Energy: 1.832306521846628
Energy: 1.843689160973337
Energy: 1.8511853389397968
Energy: 1.934792633762519
Energy: 1.879428861423139
Energy: 1.9478866386629432
Energy: 1.8374427426072648
Energy: 1.9347926337605483
Energy: 1.8794288614282266
Energy: 1.9478866386653078
Energy: 1.8322316776906749
Energy: 1.8359192968767957
Energy: 1.8107193553037328
Energy: 1.7837439165925486
Energy: 1.832231677691463
Energy: 1.8359192968795544
Energy: 1.8107193552997922
Energy: 1.9338531112304278
Energy: 1.77900700319593
Energy: 1.9044541749150947
Energy: 1.8459523790170447
Energy: 1.9338531112233344
Energy: 1.7790070031896243
Energy: 1.9044541749111894
Energy: 1.874065839050128
Energy: 1.7839110881414337
Energy: 1.8410984120167089
Energy: 1.8435181390280713
Energy: 1.8740658390520983
Energy: 1.7839110881461628
Energy: 1.8410984120186793
Energy: 1.7798109555569805
Energy: 1.8276056898951138
Energy: 1.8893844072277135
Energy: 1.8189331111616431
Energy: 1.7798109555530395
Energy: 1.8276056898962962
Energy: 1.889384407226531
Energy: 1.9302484314096948
Energy: 1.8550285526561165
Energy: 1.8578385974252964
Energy: 1.8076112182943878
Energy: 1.930248431406542
Energy: 1.8550285526647867
Energy: 1.857838597424902
Energy: 1.9635874727699933
Energy: 1.8371342066823282
Energy: 1.9322082572034043
Energy: 1.8370953548239184
Energy: 1.9635874727664466
Energy: 1.8371342066823282
Energy: 1.9307864671243091
Energy: 1.9301549483154807
Energy: 1.8467871989644664
Energy: 1.857784197290883
Energy: 1.8548041295169504
Energy: 1.9301549483150866
Energy: 1.8467871989644664
Energy: 1.857784197287336
Energy: 1.7840389565933699
Energy: 1.7834029157168287
Energy: 1.9356155999262792
Energy: 1.8274919219935262
Energy: 1.7840389565937638
Energy: 1.7834029157109172
Energy: 1.9356155999239146
Energy: 1.8320014407270253
Energy: 1.8435373583552443
Energy: 1.8409927742938172
Energy: 1.7838847374078337
Energy: 1.8320014407250549
Energy: 1.8435373583556383
Energy: 1.8409927742946057
Energy: 1.9325814356406874
Energy: 1.8459343183676962
Energy: 1.910082935204444
Energy: 1.7789826067624663
Energy: 1.9325814356434463
Energy: 1.8459343183732133
Energy: 1.910082935195774
Energy: 1.8322590861000663
Energy: 1.7838210018998804
Energy: 1.8107653786178128
Energy: 1.792430198596795
Energy: 1.8322590861008543
Energy: 1.7838210018975158
Energy: 1.8107653786158424
Energy: 1.9347241095577286
Energy: 1.8420274949489512
Energy: 1.8208695562744703
Energy: 1.8794121295620245
Energy: 1.934724109556546
Energy: 1.8420274949434339
Energy: 1.8208695562728938
Energy: 1.832330688924908
Energy: 1.8538680332987751
Energy: 1.8512631006257694
Energy: 1.8435317984816786
Energy: 1.8323306889237259
Energy: 1.8538680332964108
Energy: 1.8512631006261637
Energy: 1.9105701179916705
Energy: 1.8434309078113635
Energy: 1.8406878576704984
Energy: 1.8552774351830836
Energy: 1.9105701179932468
Energy: 1.8434309078121514
Energy: 1.8406878576701042
Energy: 1.824112161017103
Energy: 1.860366881358176
Energy: 1.9908698708376256
Energy: 1.8383352037213068
Energy: 1.8241121610206494
Energy: 1.8603668813597525
Energy: 1.990869870839202

minimum gb energy = 1.7789826067624663 eV
minimum distance =  2.30124365222949 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.8475562692739522
Energy: 1.8794702758169337
Energy: 1.8309138088369115
Energy: 1.8793768838267286
Energy: 1.8475562692730216
Energy: 1.8794702758234454
Energy: 1.830913808844353
Energy: 1.8272848874063699
Energy: 1.8457752065949395
Energy: 1.676158377616396
Energy: 1.8453546387369715
Energy: 1.8272848874040444
Energy: 1.8457752066065252
Energy: 1.6761583776080236
Energy: 1.8476512141596075
Energy: 1.7108928108911006
Energy: 1.8485069139127905
Energy: 1.873268926733123
Energy: 1.847651214158212
Energy: 1.710892810897147
Energy: 1.848506913911395
Energy: 1.8360617331205396
Energy: 1.847044917978291
Energy: 1.676022274601745
Energy: 1.8195031789271106
Energy: 1.836061733118679
Energy: 1.8470449179727098
Energy: 1.676022274600815
Energy: 1.8860283821319341
Energy: 1.8729881691115522
Energy: 1.8060755518160057
Energy: 1.873407766627425
Energy: 1.8860283821342596
Energy: 1.8729881691101569
Energy: 1.8060755518211218
Energy: 1.8360158502757478
Energy: 1.845638420569442
Energy: 1.9085211630708845
Energy: 1.8209069451100246
Energy: 1.8360158502790036
Energy: 1.8456384205759537
Energy: 1.9085211630713494
Energy: 1.99081673043502
Energy: 1.873094040823332
Energy: 1.9204134053611819
Energy: 1.8732485046135419
Energy: 1.9908167304280437
Energy: 1.8730940408214718
Energy: 1.8177609090515348
Energy: 1.8437688857570362
Energy: 1.6886163903176108
Energy: 1.7985844595427087
Energy: 1.688488698246335
Energy: 1.843768885759827
Energy: 1.6886163903152853
Energy: 1.798584459538523
Energy: 1.9909037966926493
Energy: 1.8732657680635294
Energy: 1.8381697189815305
Energy: 1.8730841152605415
Energy: 1.9909037966884633
Energy: 1.873265768067715
Energy: 1.7895304219649464
Energy: 1.835976122206119
Energy: 1.8209437866631384
Energy: 1.9083289023028778
Energy: 1.8456141376163715
Energy: 1.835976122205654
Energy: 1.8209437866668592
Energy: 1.9083289022977614
Energy: 1.8861846420787123
Energy: 1.8733491846685353
Energy: 1.854331247783748
Energy: 1.8729993714492357
Energy: 1.8861846420782473
Energy: 1.8733491846699306
Energy: 1.8216822715265915
Energy: 1.8347081259623312
Energy: 1.819405885309906
Energy: 1.676021022881015
Energy: 1.8467534195731992
Energy: 1.8347081259665172
Energy: 1.8194058853085107
Energy: 1.6760210228833405
Energy: 1.8457086358356367
Energy: 1.8734152325506435
Energy: 1.8347508611122396
Energy: 1.710890427853829
Energy: 1.8457086358305204
Energy: 1.8734152325520388
Energy: 1.8221992390373631
Energy: 1.8272456892067066
Energy: 1.8452337178574036
Energy: 1.6763106994658694
Energy: 1.8451571328597918
Energy: 1.827245689203916
Energy: 1.8452337178601943
Energy: 1.6763106994561021
Energy: 1.8475562692730216
Energy: 1.8794702758183288
Energy: 1.8309138088378416
Energy: 1.8793768838267286
Energy: 1.8475562692734868
Energy: 1.8794702758234454
Energy: 1.8309138088452834
Energy: 1.82728488740544
Energy: 1.8457752065963349
Energy: 1.676158377617791
Energy: 1.8453546387365063
Energy: 1.8272848874045093
Energy: 1.8457752066065252
Energy: 1.676158377608489
Energy: 1.8476512141591424
Energy: 1.7108928108929609
Energy: 1.8485069139123254
Energy: 1.8732689267326577
Energy: 1.8476512141563517
Energy: 1.710892810897147
Energy: 1.8485069139104648
Energy: 1.8360617331223998
Energy: 1.847044917977361
Energy: 1.6760222746022104
Energy: 1.819503178925715
Energy: 1.836061733119609
Energy: 1.8470449179713144
Energy: 1.676022274600815
Energy: 1.8860283821310035
Energy: 1.8729881691092267
Energy: 1.8060755518192613
Energy: 1.8734077666264948
Energy: 1.8860283821342596
Energy: 1.8729881691078314
Energy: 1.806075551822982
Energy: 1.8360158502743524
Energy: 1.8456384205703724
Energy: 1.9085211630699543
Energy: 1.8209069451100246
Energy: 1.8360158502790036
Energy: 1.8456384205778142
Energy: 1.9085211630722798
Energy: 1.9908167304308342
Energy: 1.8730940408214718
Energy: 1.817760909049209
Energy: 1.873248504613077
Energy: 1.9908167304275783
Energy: 1.8730940408196115
Energy: 1.8177609090510696
Energy: 1.8437688857575016
Energy: 1.688616390318076
Energy: 1.798584459543639
Energy: 1.688488698245405
Energy: 1.8437688857584316
Energy: 1.68861639031389
Energy: 1.7985844595389882
Energy: 1.990903796690789
Energy: 1.8732657680649243
Energy: 1.7895304219682022
Energy: 1.8730841152619369
Energy: 1.9909037966870677
Energy: 1.8732657680681803
Energy: 1.7895304219663417
Energy: 1.835976122206119
Energy: 1.8209437866663942
Energy: 1.9083289023010173
Energy: 1.8456141376168367
Energy: 1.8359761222070492
Energy: 1.8209437866682545
Energy: 1.908328902296366
Energy: 1.8861846420796426
Energy: 1.8733491846690005
Energy: 1.713085996153318
Energy: 1.8729993714506308
Energy: 1.8861846420796426
Energy: 1.8733491846708608
Energy: 1.757299301190593
Energy: 1.8347081259600058
Energy: 1.8194058853108364
Energy: 1.67602102288148
Energy: 1.846753419572734
Energy: 1.834708125966052
Energy: 1.8194058853071153
Energy: 1.6760210228824104
Energy: 1.8457086358356367
Energy: 1.8734152325520388
Energy: 1.8221992390396884
Energy: 1.7108904278552246
Energy: 1.8457086358309855
Energy: 1.8734152325529692
Energy: 1.8221992390368982
Energy: 1.8272456892071718
Energy: 1.8452337178555434
Energy: 1.6763106994667998
Energy: 1.8451571328583962
Energy: 1.8272456892053113
Energy: 1.845233717857869
Energy: 1.6763106994561021
Energy: 1.847556269274417
Energy: 1.8794702758169337
Energy: 1.8309138088364463
Energy: 1.879376883823938
Energy: 1.8475562692730216
Energy: 1.87947027582298
Energy: 1.830913808844818
Energy: 1.8272848874063699
Energy: 1.8457752065954047
Energy: 1.6761583776159306
Energy: 1.8453546387379016
Energy: 1.8272848874035792
Energy: 1.8457752066065252
Energy: 1.6761583776080236

minimum gb energy = 1.676021022881015 eV
minimum distance =  2.32407360977098 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.9342545337267334
Energy: 1.8243129994514258
Energy: 1.8629245088314976
Energy: 1.8241047892160698
Energy: 1.9342545337272976
Energy: 1.8243129994548135
Energy: 1.862924508832627
Energy: 1.939340532249397
Energy: 1.810622686920449
Energy: 1.624341049528942
Energy: 1.8022356846689003
Energy: 1.939340532249962
Energy: 1.8106226869198843
Energy: 1.6243410495278126
Energy: 1.9341756841133262
Energy: 1.7755868878927878
Energy: 1.7656702918177591
Energy: 1.821751482377117
Energy: 1.9341756841150202
Energy: 1.7755868878927878
Energy: 1.7656702918166298
Energy: 1.9409320741482923
Energy: 1.811206238147808
Energy: 1.7318499951864534
Energy: 1.8028431912853204
Energy: 1.9409320741488567
Energy: 1.811206238147808
Energy: 1.7318499951875828
Energy: 1.828171752915094
Energy: 1.7288808412394276
Energy: 1.8538276768577222
Energy: 1.7285979876012834
Energy: 1.8281717529139647
Energy: 1.7288808412394276
Energy: 1.8538276768594162
Energy: 1.9408818868005286
Energy: 1.7362995486391108
Energy: 1.9604176652072387
Energy: 1.8035430253920621
Energy: 1.9408818867988347
Energy: 1.7362995486385464
Energy: 1.9604176652100618
Energy: 1.8852365819745414
Energy: 1.7287944351724853
Energy: 1.8537394794295206
Energy: 1.8467848358915606
Energy: 1.88523658197005
Energy: 1.7287944351764375
Energy: 1.8537394794266977
Energy: 1.8812793011304132
Energy: 1.8241021743819328
Energy: 1.9607176136232172
Energy: 1.8034640323981568
Energy: 1.8812793011309779
Energy: 1.8241021743768766
Energy: 1.9607176136215234
Energy: 1.886767959620999
Energy: 1.8027912809550717
Energy: 1.734712604689417
Energy: 1.8436115388735
Energy: 1.886767959619305
Energy: 1.8027912809539424
Energy: 1.734712604684926
Energy: 1.8856097860615664
Energy: 1.830713306186997
Energy: 1.710907674222965
Energy: 1.8029806695269206
Energy: 1.8856097860610017
Energy: 1.8307133061875613
Energy: 1.7109076742212714
Energy: 1.9593835162209097
Energy: 1.815253198494098
Energy: 1.8640164344309347
Energy: 1.8131855372774632
Energy: 1.9593835162214743
Energy: 1.815253198491275
Energy: 1.8640164344314991
Energy: 1.720764437684946
Energy: 1.8302187994621646
Energy: 1.7298678316470957
Energy: 1.7275852619487464
Energy: 1.7207644376860753
Energy: 1.8302187994610355
Energy: 1.729867831645402
Energy: 1.9525803310947727
Energy: 1.8141706686174621
Energy: 1.86664406613734
Energy: 1.8022565749664292
Energy: 1.952580331097031
Energy: 1.8141706686174621
Energy: 1.8666440661384696
Energy: 1.720787764973296
Energy: 1.830477598104073
Energy: 1.8287580413196705
Energy: 1.7275763115141707
Energy: 1.7207877649710375
Energy: 1.8304775981018144
Energy: 1.8287580413213642
Energy: 1.9379405710768465
Energy: 1.7458907681682811
Energy: 1.7314258233206927
Energy: 1.80207720975405
Energy: 1.9379405710779758
Energy: 1.7458907681694105
Energy: 1.731425823323516
Energy: 1.7212604860424845
Energy: 1.8853412040988349
Energy: 1.827941730396601
Energy: 1.8319840360352948
Energy: 1.721260486040226
Energy: 1.8853412040993998
Energy: 1.827941730393778
Energy: 1.9378052585554268
Energy: 1.7460387763798701
Energy: 1.9118754718341855
Energy: 1.8021856050993303
Energy: 1.9378052585554268
Energy: 1.7460387763764824
Energy: 1.91187547183475
Energy: 1.7214063359412854
Energy: 1.8297643091349396
Energy: 1.8073880577396815
Energy: 1.8290314759542465
Energy: 1.7214063359407208
Energy: 1.8297643091343754
Energy: 1.8073880577379875
Energy: 1.9343799510198685
Energy: 1.7460836872768264
Energy: 1.989869092604055
Energy: 1.8024718844239587
Energy: 1.9343799510187394
Energy: 1.7460836872819083
Energy: 1.989869092600667
Energy: 1.7213331849110791
Energy: 1.9061521599576903
Energy: 1.7922680540383518
Energy: 1.9062531326762298
Energy: 1.7213331849082816
Energy: 1.9061521599593845
Energy: 1.7922680540394813
Energy: 1.9343595217851821
Energy: 1.802470352337051
Energy: 1.990070132069492
Energy: 1.7460171649092993
Energy: 1.9343595217834881
Energy: 1.8024703523381806
Energy: 1.990070132069492
Energy: 1.72136713579087
Energy: 1.8302129799737987
Energy: 1.8069291466794037
Energy: 1.8293678478969597
Energy: 1.7213671357914344
Energy: 1.830212979976057
Energy: 1.8069291466799686
Energy: 1.9378040178686124
Energy: 1.802175281981397
Energy: 1.9122630274244885
Energy: 1.746202173015469
Energy: 1.937804017870306
Energy: 1.802175281982526
Energy: 1.9122630274256176
Energy: 1.7212441419227429
Energy: 1.8321439922593492
Energy: 1.8281069627892537
Energy: 1.8853281214027793
Energy: 1.721244141921049
Energy: 1.8321439922638663
Energy: 1.8281069627909476
Energy: 1.9377747493677198
Energy: 1.8021029412324472
Energy: 1.6335068970437763
Energy: 1.746067710060082
Energy: 1.9377747493699782
Energy: 1.8021029412318825
Energy: 1.6335068970449056

minimum gb energy = 1.6243410495278126 eV
minimum distance =  2.35938810125978 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.705291114567127
Energy: 1.7960802958592021
Energy: 1.7142562154371943
Energy: 1.7959012343450138
Energy: 1.7052911145608243
Energy: 1.7960802958655042
Energy: 1.7142562154371943
Energy: 1.8689600240379625
Energy: 1.8040472853696865
Energy: 1.6381985912785013
Energy: 1.8039582574814181
Energy: 1.8689600240379625
Energy: 1.804047285363384
Energy: 1.6381985912658967
Energy: 1.7051580473658334
Energy: 1.6771489143556508
Energy: 1.7439505714816321
Energy: 1.7568250808615486
Energy: 1.705158047356437
Energy: 1.6771489143461973
Energy: 1.7439505714784809
Energy: 1.6573894292623983
Energy: 1.8029254581200205
Energy: 1.6473936435621197
Energy: 1.755561515552403
Energy: 1.6573894292718518
Energy: 1.802925458129474
Energy: 1.6473936435621197
Energy: 1.6819663717284636
Energy: 1.6626090315189574
Energy: 1.6463984768721787
Energy: 1.651609688223736
Energy: 1.6819663717347662
Energy: 1.662609031509504
Energy: 1.6463984768753297
Energy: 1.6568635318915126
Energy: 1.6970845828799828
Energy: 1.7671653774734952
Energy: 1.7217067037400686
Energy: 1.656863531888361
Energy: 1.6970845828956813
Energy: 1.7671653774766465
Energy: 1.6639734373007915
Energy: 1.6626827232491945
Energy: 1.6401287217458635
Energy: 1.668445428769936
Energy: 1.6639734372944892
Energy: 1.6626827232365897
Energy: 1.6401287217458635
Energy: 1.667242687640673
Energy: 1.7072108576461424
Energy: 1.6803436335406576
Energy: 1.7042100325976295
Energy: 1.6672426876343707
Energy: 1.707210857636689
Energy: 1.6803436335281103
Energy: 1.6639871275732598
Energy: 1.6806957412965031
Energy: 1.80197289880183
Energy: 1.6561480927789576
Energy: 1.6639871275764109
Energy: 1.680695741293352
Energy: 1.80197289880183
Energy: 1.6562028666216322
Energy: 1.7077906222363484
Energy: 1.7344526508533258
Energy: 1.7273007372844607
Energy: 1.6562028666121786
Energy: 1.7077906222426509
Energy: 1.7344526508595708
Energy: 1.6636418723328343
Energy: 1.716490080063702
Energy: 1.7488725792635016
Energy: 1.6560824747209384
Energy: 1.663641872329683
Energy: 1.7164900800700043
Energy: 1.7488725792666528
Energy: 1.656005743187079
Energy: 1.6877445560818523
Energy: 1.6959591020690041
Energy: 1.7046188204298127
Energy: 1.656005743187079
Energy: 1.6877445560881545
Energy: 1.695959102081609
Energy: 1.6633918191612254
Energy: 1.6445768505469585
Energy: 1.7489782058758214
Energy: 1.6882066720864617
Energy: 1.66339181917383
Energy: 1.6445768505532032
Energy: 1.7489782058695764
Energy: 1.70830522380046
Energy: 1.750931772797699
Energy: 1.7294693445808513
Energy: 1.7122243303210307
Energy: 1.7083052237910066
Energy: 1.750931772791397
Energy: 1.729469344590305
Energy: 1.663647806038504
Energy: 1.6801465388202765
Energy: 1.7687355471402344
Energy: 1.7538580782894972
Energy: 1.663647806019597
Energy: 1.6801465388108232
Energy: 1.7687355471402344
Energy: 1.70848502956858
Energy: 1.6877162941643788
Energy: 1.7064333823539486
Energy: 1.688129824897293
Energy: 1.7084850295748826
Energy: 1.68771629416753
Energy: 1.706433382363402
Energy: 1.6994955091979635
Energy: 1.722031417639962
Energy: 1.8107579616823597
Energy: 1.6881224810562618
Energy: 1.6994955092011148
Energy: 1.7220314176431135
Energy: 1.8107579617075689
Energy: 1.6557633254802653
Energy: 1.6872958573252395
Energy: 1.7062393575157007
Energy: 1.6548126772465757
Energy: 1.6557633254708122
Energy: 1.6872958573189945
Energy: 1.7062393575251542
Energy: 1.6994533434132835
Energy: 1.6878024650415746
Energy: 1.7109698727017548
Energy: 1.703244890921274
Energy: 1.6994533434132835
Energy: 1.6878024650447259
Energy: 1.7109698727048486
Energy: 1.6536305365025632
Energy: 1.6836305600584058
Energy: 1.726893142360472
Energy: 1.6832487782583068
Energy: 1.6536305364962611
Energy: 1.6836305600584058
Energy: 1.726893142360472
Energy: 1.70149075775943
Energy: 1.6804128527669688
Energy: 1.7092782130575386
Energy: 1.716642703624108
Energy: 1.7014907577405232
Energy: 1.680412852776422
Energy: 1.7092782130606898
Energy: 1.6536758931022482
Energy: 1.682771898767901
Energy: 1.7394217735298854
Energy: 1.6857305771475877
Energy: 1.6536758930990971
Energy: 1.6827718987615987
Energy: 1.7394217735361879
Energy: 1.7024297315605987
Energy: 1.6814138706844597
Energy: 1.8072962229637546
Energy: 1.6974104590165124
Energy: 1.7024297315637502
Energy: 1.6814138706813089
Energy: 1.8072962229669056
Energy: 1.6588920072301319
Energy: 1.7086529522410636
Energy: 1.7302070284860396
Energy: 1.685952848148196
Energy: 1.658892007214376
Energy: 1.708652952234761
Energy: 1.730207028476586
Energy: 1.7019718877815206
Energy: 1.7818179754975167
Energy: 1.7794069068173433
Energy: 1.802804341162434
Energy: 1.7019718877815206
Energy: 1.781817975503819
Energy: 1.779406906814192
Energy: 1.6916836168048324
Energy: 1.6880267057176357
Energy: 1.8078618603231322
Energy: 1.642942229940155
Energy: 1.6916836167953788
Energy: 1.688026705711333
Energy: 1.80786186031683
Energy: 1.9384330603283104
Energy: 1.7819623712931187
Energy: 1.698919977035226
Energy: 1.8289163649132145
Energy: 1.938433060340858
Energy: 1.7819623712962698
Energy: 1.6989199770414711
Energy: 1.6932051596427211
Energy: 1.7200265034257762
Energy: 1.767934409984056
Energy: 1.8167089165576604
Energy: 1.6932051596490236
Energy: 1.7200265034352298
Energy: 1.7679344100092655
Energy: 1.939994564089799
Energy: 1.7823534110850006
Energy: 1.6575994446026794
Energy: 1.8289727208595665
Energy: 1.9399945640961014
Energy: 1.7823534110755472
Energy: 1.6575994445995281
Energy: 1.6922747154510518
Energy: 1.6875494737924934
Energy: 1.7862783497842443
Energy: 1.686865288695622
Energy: 1.6922747154573545
Energy: 1.6875494737830399
Energy: 1.7862783497810928
Energy: 1.7037159773217148
Energy: 1.8177712257473655
Energy: 1.7428597351756876
Energy: 1.8032557789795625
Energy: 1.7037159773280175
Energy: 1.8177712257567618
Energy: 1.7428597351914437
Energy: 1.692360273556355
Energy: 1.7208724133749809
Energy: 1.6872654652394348
Energy: 1.6371652378656463
Energy: 1.6923602735658085
Energy: 1.7208724133529227
Energy: 1.6872654652394348
Energy: 1.7038959039430113
Energy: 1.7136224011415258
Energy: 1.7424599503967557
Energy: 1.689863990924882
Energy: 1.7038959039367092
Energy: 1.7136224011541303
Energy: 1.7424599503936045
Energy: 1.7277807320343344
Energy: 1.668416753056504
Energy: 1.756427748595257
Energy: 1.677792480123362
Energy: 1.727780732028032
Energy: 1.668416753056504
Energy: 1.756427748614164
Energy: 1.727179398085352
Energy: 1.669371091219446
Energy: 1.7085388729079507
Energy: 1.6844879280918517
Energy: 1.727179398069596
Energy: 1.6693710912162947
Energy: 1.708538872911102
Energy: 1.7275391769557544
Energy: 1.6868361512706087
Energy: 1.7561631214447224
Energy: 1.7087111702946387
Energy: 1.7275391769526032
Energy: 1.6868361512643062
Energy: 1.7561631214447224
Energy: 1.7271386669569286
Energy: 1.6847280506787923
Energy: 1.7251555554964288
Energy: 1.6964223401106144
Energy: 1.72713866696008
Energy: 1.6847280506787923
Energy: 1.7251555555026739
Energy: 1.7311081974262248
Energy: 1.6769701787811304
Energy: 1.7268337438496804
Energy: 1.7095335319327714
Energy: 1.7311081974293763
Energy: 1.6769701787811304
Energy: 1.7268337438496804
Energy: 1.7271938467384025
Energy: 1.7955913409211357
Energy: 1.7740002836541766
Energy: 1.6821889111405892
Energy: 1.7271938467352514
Energy: 1.7955913409211357
Energy: 1.7740002836699327
Energy: 1.7296314324793665
Energy: 1.7401567724497817
Energy: 1.750372279065394
Energy: 1.6823367882788147
Energy: 1.729631432482518
Energy: 1.7401567724529332
Energy: 1.7503722790811498
Energy: 1.8438691655613924
Energy: 1.6838402335001117
Energy: 1.733983127595115
Energy: 1.6822260217572957
Energy: 1.843869165558241
Energy: 1.683840233503263
Energy: 1.7339831276014175
Energy: 1.7292968524089858
Energy: 1.7012727228495994
Energy: 1.7354870136033744
Energy: 1.6788449301823858
Energy: 1.7292968524184391
Energy: 1.7012727228432973
Energy: 1.7354870136222813
Energy: 1.7553762415943899
Energy: 1.684344942683647
Energy: 1.7020503039524775
Energy: 1.6822899538426985
Energy: 1.7553762416069945
Energy: 1.6843449426805528
Energy: 1.7020503039398724
Energy: 1.7261965577529308
Energy: 1.706213113680884
Energy: 1.7410640270928168
Energy: 1.7052741708591135
Energy: 1.7261965577655356
Energy: 1.706213113661977
Energy: 1.741064027095968
Energy: 1.6522577625601134
Energy: 1.6847611372860434
Energy: 1.7005652705773855
Energy: 1.6899334770343402
Energy: 1.6522577625475658
Energy: 1.6847611372923457
Energy: 1.7005652705742342

minimum gb energy = 1.6371652378656463 eV
minimum distance =  2.31984050690866 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.6083679326103524
Energy: 1.4030834929958622
Energy: 1.5968701639445761
Energy: 1.403083493001546
Energy: 1.608367932611063
Energy: 1.403083493001546
Energy: 1.5968701639424445
Energy: 1.6083679326103524
Energy: 1.403083493001546
Energy: 2.366111402109154
Energy: 1.4030834929951517
Energy: 1.608367932611063
Energy: 1.403083493001546
Energy: 1.5968701639452867
Energy: 1.608367932611063
Energy: 1.4030834930008356
Energy: 1.5767480978387172
Energy: 1.403083493003677
Energy: 1.6083679326131943
Energy: 1.4030834929944414
Energy: 1.5968701639417342
Energy: 1.6083679326131943
Energy: 1.4030834929965725
Energy: 1.5968701639452867
Energy: 1.403083493001546
Energy: 1.608367932611063
Energy: 1.4030834930022562
Energy: 1.5968701639431553
Energy: 1.6083679326089315
Energy: 1.4030834930008356
Energy: 1.5767480855615974
Energy: 1.4030834929944414
Energy: 1.6083679326053792
Energy: 1.403083493001546
Energy: 1.5968701639431553
Energy: 1.6083679326103524
Energy: 1.4030834930008356
Energy: 1.5489637799548992
Energy: 1.403083493002967
Energy: 1.6083679326153255
Energy: 1.4030834929958622
Energy: 1.5968701639424445
Energy: 1.6083679326117732
Energy: 1.4030834929958622
Energy: 1.5968701639424445
Energy: 1.4030834930008356
Energy: 1.6083679326096418
Energy: 1.403083493001546
Energy: 1.5968701639410239
Energy: 1.6083679326089315
Energy: 1.4030834930008356
Energy: 1.5489637801253149
Energy: 1.4030834929958622
Energy: 1.6083679326075104
Energy: 1.4030834930022562
Energy: 1.5968701639438656
Energy: 1.608367932611063
Energy: 1.4030834930001248
Energy: 1.7706052762910853
Energy: 1.4030834930022562
Energy: 1.6083679326117732
Energy: 1.4030834929944414
Energy: 1.596870163939603
Energy: 1.608367932612484
Energy: 1.4030834929965725
Energy: 1.5968701639445761
Energy: 1.403083493001546
Energy: 1.6083679326096418
Energy: 1.403083493001546
Energy: 1.5968701639424445
Energy: 1.6083679326089315
Energy: 1.4030834930001248
Energy: 1.7706052762925064
Energy: 1.4030834929944414
Energy: 1.6083679326117732
Energy: 1.403083493001546
Energy: 1.5968701639431553
Energy: 1.6083679326117732
Energy: 1.4030834930008356
Energy: 1.5968701639410239
Energy: 1.403083493002967
Energy: 1.6083679326117732
Energy: 1.4030834929958622
Energy: 1.5968701639417342
Energy: 1.6083679326181677
Energy: 1.4030834929958622
Energy: 1.5968701639431553
Energy: 1.403083493001546
Energy: 1.6083679326075104
Energy: 1.403083493001546
Energy: 1.5968701639410239
Energy: 1.6083679326103524
Energy: 1.403083493001546
Energy: 1.5968701639431553
Energy: 1.4030834929944414
Energy: 1.6083679326089315
Energy: 1.403083493001546
Energy: 1.5968701639445761
Energy: 1.608367932611063
Energy: 1.4030834930001248
Energy: 1.5968701639424445
Energy: 1.403083493003677
Energy: 1.608367932612484
Energy: 1.4030834929951517
Energy: 1.5968701639431553
Energy: 1.6083679326146152
Energy: 1.4030834929965725
Energy: 1.5968701639459968
Energy: 1.4030834930022562
Energy: 1.6083679326096418
Energy: 1.4030834930022562
Energy: 1.5968701639431553
Energy: 1.6083679326117732
Energy: 1.4030834930001248
Energy: 1.5968701639424445
Energy: 1.4030834929951517
Energy: 1.608367932611063
Energy: 1.403083493001546
Energy: 1.5968701639445761
Energy: 1.6083679326117732
Energy: 1.403083493001546
Energy: 1.5968701639431553
Energy: 1.403083493002967
Energy: 1.6083679326131943
Energy: 1.4030834929951517
Energy: 1.5968701639445761
Energy: 1.6083679326103524
Energy: 1.4030834929965725
Energy: 1.5968701639438656
Energy: 1.4030834930008356
Energy: 1.608367932611063
Energy: 1.403083493001546
Energy: 1.5968701639417342
Energy: 1.6083679326096418
Energy: 1.4030834930008356
Energy: 1.5968701639445761
Energy: 1.4030834929944414
Energy: 1.6083679326131943
Energy: 1.403083493001546
Energy: 1.5968701639452867

minimum gb energy = 1.4030834929944414 eV
minimum distance =  2.42955449040912 Angstroms
sigma value = 23