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=bcc
Lattice constant (meters) and cohesive energy (J): a=2.882650256156921
cohesive_energy=3.880282732726341
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7940372859215e-19, 2.49059959931934e-19, 3.04448808345948e-19, 3.5054022575285995e-19, 3.8937698736101997e-19, 4.22655798225834e-19, 4.5148536457803e-19, 4.76625118142124e-19, 4.98618196797042e-19, 5.1806061025063195e-19, 5.351942871746279e-19, 5.50177843055796e-19, 5.632163565032879e-19, 5.74481260416942e-19, 5.841183528704519e-19, 5.92249399288002e-19, 5.9919002846649e-19, 6.05316751914906e-19, 6.102338320046519e-19, 6.14223251823312e-19, 6.175381552790579e-19, 6.19846891808652e-19, 6.211991288877479e-19, 6.21641329638732e-19, 6.21165483178434e-19, 6.19620984903258e-19, 6.1681397144049e-19, 6.125089228249319e-19, 6.06422253792366e-19, 5.982159050730179e-19, 5.874765150953159e-19, 5.742681709246199e-19, 5.5766641664311195e-19, 5.36772431159118e-19, 5.10663360731454e-19, 4.78184036007006e-19, 4.383026552334779e-19, 3.8972305751396396e-19, 3.29320998412164e-19, 2.5402830967396797e-19, 1.59806705093379e-19, 4.1228490887395196e-20, -1.0856605220245438e-19, -2.99964315947382e-19, -5.45843955260826e-19, -8.640762891890759e-19, -1.2881323897930258e-18, -1.86313916414592e-18, -2.6623369127178e-18, -3.81120971166018e-18, -5.529800499886619e-18, -8.23842429556068e-18, -1.2845611380758399e-17, -2.15878881841794e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014411618697634746
Energy: 1.4015465056179925
Energy: 1.1441663732202312
Energy: 0.015183919651534108
Energy: 0.015045759441992414
Energy: 1.4171869795601426
Energy: 0.015446696628544395
Energy: 0.18232820520096132
Energy: 0.18820096890899451
Energy: 0.1822887080114751
Energy: 0.1842420261162142
Energy: 0.189531882509716
Energy: 0.19451690885699302
Energy: 0.18278797039034148
Energy: 0.18177368117928913
Energy: 0.18925917799399722
Energy: 0.18832282627038524
Energy: 0.1829592919777924
Energy: 0.18669350156361122
Energy: 0.1880014606675904
Energy: 0.1826715115953465
Energy: 0.1821385653911574
Energy: 0.1869311442019888
Energy: 0.1880018847689619
Energy: 0.18282571488830165
Energy: 0.22165025272327296
Energy: 0.1877119286456325
Energy: 0.10657599775297887
Energy: 0.18300430717346594
Energy: 0.1878034383478106
Energy: 0.18876639574995147
Energy: 0.1842438222050869
Energy: 0.18564861992209078
Energy: 0.1886517658042096
Energy: 0.1830307911349947
Energy: 0.01489441849172718
Energy: 0.189298974526804
Energy: 0.18254937243837882
Energy: 0.01758365782889892
Energy: 0.01858613389016749
Energy: 0.1935737656187352
Energy: 0.18258851900281972

minimum gb energy = 0.014411618697634746 eV
minimum distance =  2.4676828859983 Angstroms
sigma value = 5


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

Energy: 1.5000141439572678
Energy: 1.0712357387423663
Energy: 0.9737182483973168
Energy: 1.051839908217591
Energy: 0.9488961371443099
Energy: 0.9674329130087822
Energy: 0.949920544500036
Energy: 0.9809824282176981
Energy: 0.9480985467542341
Energy: 0.7200039508532922
Energy: 0.7595876253987384
Energy: 0.941611462455332
Energy: 0.6563752643396784
Energy: 1.008114493624893
Energy: 0.9728422454117898
Energy: 0.7520016606181474
Energy: 0.9344265041327697
Energy: 0.8588638461820236
Energy: 0.9307833948237858
Energy: 0.9753596156592483
Energy: 0.9017458652437209
Energy: 0.6732723832984261
Energy: 0.9170731109307464
Energy: 0.9283933670393529
Energy: 0.9797513362525838
Energy: 0.9280879607212756
Energy: 0.9266327858048563
Energy: 0.9329902479624291
Energy: 0.896622939869114
Energy: 0.748041186099491
Energy: 0.6995634589626203
Energy: 0.8573642148607415
Energy: 0.7753139501200443
Energy: 0.7468283046444555
Energy: 0.8477110689041606
Energy: 0.9738771589030758
Energy: 0.9324375793750966
Energy: 0.8563489137739686
Energy: 0.9342179241186763
Energy: 0.9379625546305316
Energy: 0.87993709168452
Energy: 0.9410857841344413
Energy: 0.7461894589763731
Energy: 0.9305363364178192
Energy: 0.8447330451371386
Energy: 0.9299243030846016
Energy: 0.9297818948333977
Energy: 0.9519644277093723
Energy: 0.9429161651933754
Energy: 0.7303947064140065
Energy: 0.9687370723653617
Energy: 0.9075410222327572
Energy: 0.47792755750968136
Energy: 0.942795538425803
Energy: 0.8060165108646027
Energy: 0.7774738424013089
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Energy: 1.058530218864746
Energy: 1.063235592852963
Energy: 1.079345535429603
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Energy: 1.0672253855879827
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Energy: 0.8784941350290284
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Energy: 1.0295000859968215
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Energy: 0.9101867953419192
Energy: 0.8905757636661242
Energy: 0.944462430878425
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Energy: 0.9304071903124864
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Energy: 0.8156004801079835
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Energy: 0.7101186778136808
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Energy: 0.6548606522429433
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Energy: 0.9200066604342837
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Energy: 0.9307508035416333
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Energy: 0.8782916432731541
Energy: 0.9153823698544744
Energy: 0.8681183141752922
Energy: 0.8779486254190371
Energy: 0.9308855892160199
Energy: 0.9011541163003036
Energy: 0.6490599389074261
Energy: 0.793960089759636
Energy: 0.898592052195026
Energy: 0.7818494669701647
Energy: 0.8581349181359044
Energy: 0.9518310680204706
Energy: 1.008333309149461
Energy: 0.8835629961534559
Energy: 0.8590221367298212
Energy: 0.9577347092696405
Energy: 1.0455266812350257
Energy: 1.002670322272207
Energy: 1.0288324937338669
Energy: 0.9572206942915366
Energy: 0.9478306602085305
Energy: 0.8790782652087978
Energy: 0.9660758081092584
Energy: 1.0408629602356931
Energy: 0.8726000934026589
Energy: 0.9719456785731354
Energy: 0.9881530748348873
Energy: 0.8884716442924471
Energy: 0.9129026599128518
Energy: 0.8126942118855423
Energy: 0.7201754368011699
Energy: 0.8695218957903986
Energy: 0.9158877155249672
Energy: 0.8861135925917903
Energy: 0.8386219886210294
Energy: 0.915340590188883
Energy: 0.8880748704811227
Energy: 0.7189145804600747
Energy: 0.9478536348470497
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Energy: 0.8973006866619027
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Energy: 0.8765079942940327
Energy: 0.8977017561053356
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Energy: 0.9737574659020355
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Energy: 0.9013720779772473
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Energy: 1.0400849423005158
Energy: 1.01814512449261
Energy: 1.06061357407087
Energy: 1.0616065165690207
Energy: 1.0517722628923454
Energy: 1.0595150117996213
Energy: 1.0764465715321698
Energy: 0.9426330600847675
Energy: 0.8279864573402178
Energy: 0.9347706485217085
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Energy: 0.6576833112522952
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Energy: 0.9006076336982989
Energy: 0.7251560851116009
Energy: 0.914739935912393
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Energy: 0.8726536572623149
Energy: 0.9228633898921222
Energy: 0.8156178019146845
Energy: 0.8561667515128986
Energy: 0.9111160234963956
Energy: 0.9174857580646386
Energy: 0.8880791035557302
Energy: 0.8063984581169068
Energy: 0.91954082832035
Energy: 0.9326054578699543
Energy: 0.8919546648526699
Energy: 0.8181025018573396
Energy: 0.7894065097413471
Energy: 0.48290801320037535
Energy: 0.9229593167497161
Energy: 0.8603518570204427
Energy: 0.9090097250597927
Energy: 0.8763059704972606
Energy: 1.0593442710380572
Energy: 0.956263743538276
Energy: 0.9114581263139774
Energy: 0.9447244441656973
Energy: 0.997053422616914
Energy: 0.9362648247634282
Energy: 0.9475773096899333
Energy: 0.9644947695274116
Energy: 0.722130486779903
Energy: 0.9366158549299454
Energy: 0.9506057641392595
Energy: 0.9347347082606174
Energy: 0.9254317070434658
Energy: 0.7217827426118176
Energy: 1.0291136343651215
Energy: 1.0274010711588888
Energy: 0.6253193812262748
Energy: 1.0601817818498218
Energy: 1.0291716912683064
Energy: 1.0314797536053528
Energy: 0.9697572722970489
Energy: 1.0466041870377334
Energy: 0.931686882341208
Energy: 1.00215455191891
Energy: 1.0395709464043075
Energy: 1.0491034358467732
Energy: 0.977458416572377
Energy: 0.9909505341260963

minimum gb energy = 0.419793196539787 eV
minimum distance =  2.32860104474715 Angstroms
sigma value = 401


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

Energy: 1.178308258603602
Energy: 0.8519068094470309
Energy: 0.987647616061781
Energy: 0.9432691332100852
Energy: 0.7922425762988525
Energy: 0.8584642181205709
Energy: 1.0204831526010294
Energy: 0.9345214273030633
Energy: 1.004095808023902
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Energy: 0.5365448776014774
Energy: 0.7100288249992922
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Energy: 0.799659114552127
Energy: 1.1170134893112404
Energy: 1.0212956279827605
Energy: 0.8541888077551084
Energy: 0.8891622660343207
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Energy: 0.9964396167358552
Energy: 0.8777252284475772
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Energy: 0.8444842690656363
Energy: 1.0099023204111273
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Energy: 0.9749350156965972
Energy: 0.8844881437560577
Energy: 1.0023546501983227
Energy: 0.7659983759049253
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Energy: 0.9869837764095558
Energy: 1.071254531227066
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Energy: 1.027941014311594
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Energy: 0.9868310652043215
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Energy: 0.8676259637322384
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Energy: 0.6751926127293665
Energy: 0.9041596489308237
Energy: 0.8492178975292155
Energy: 0.6983016706832159
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Energy: 0.9004089399419668
Energy: 0.10502597946066493
Energy: 0.898875907162296
Energy: 0.8768138567282083
Energy: 0.3661975838166045
Energy: 0.9123325235961273
Energy: 0.9317092368185663
Energy: 0.6795421432812326
Energy: 0.9360026435095553
Energy: 0.9030313248881303
Energy: 0.9360774425261401
Energy: 0.5747077454669357
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Energy: 0.9383684435714837
Energy: 0.6906565301505211
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Energy: 0.9060758699938767
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Energy: 0.8701661794752217
Energy: 0.8989667870800386
Energy: 0.9430153316362365
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Energy: 0.9046728950521807
Energy: 0.8777369773724911
Energy: 0.8840307234816832
Energy: 0.9070893728207531
Energy: 0.9433806413480265
Energy: 1.0584106642717614
Energy: 0.9082416019494045
Energy: 0.8753506247372896
Energy: 0.7956762994392905
Energy: 0.5265430123486906
Energy: 0.9069899368410517
Energy: 0.8637894602204941
Energy: 0.9960142258059402
Energy: 0.9351021559676378
Energy: 0.8946670827705668
Energy: 0.9835145496715071
Energy: 1.0674580159849234
Energy: 0.8667509322238283
Energy: 1.0904863316381497
Energy: 1.0657254382303443
Energy: 1.0409389510251477
Energy: 0.9435276200037127
Energy: 0.9634227733356772
Energy: 1.0564071861999704
Energy: 0.857292394067492
Energy: 0.9644488831813609
Energy: 0.53304488456318
Energy: 0.9836840749043149
Energy: 0.6619783445600714
Energy: 0.5871114862588728
Energy: 0.9412311073712137
Energy: 1.1129371571155517
Energy: 0.8213902949320702
Energy: 0.8623914230319685
Energy: 0.7409360377764014
Energy: 1.1554111155159892
Energy: 0.9846587985630929
Energy: 0.7742777411951616
Energy: 0.8345431176036088
Energy: 0.9426613040143437
Energy: 0.8215385007504944
Energy: 0.9797465848103086
Energy: 0.9569885171706798
Energy: 0.8645827772995827
Energy: 0.9359832071533796
Energy: 1.0692331533303825
Energy: 1.1178696072751946
Energy: 1.0463922962186822
Energy: 1.0434125639492613
Energy: 0.84769469902634
Energy: 0.6847553075876156
Energy: 1.060017667031022
Energy: 0.8621132384063642
Energy: 1.0625563455474822
Energy: 1.1273588462263848
Energy: 1.0909595884047536
Energy: 0.8867762305600947
Energy: 0.7833368367477541
Energy: 1.0957204733972619
Energy: 1.027875647513982
Energy: 1.0865380923759764
Energy: 0.2607746113292845
Energy: 1.0358712476273895
Energy: 0.8981640535550168
Energy: 0.9222798161364243
Energy: 1.0573936677991893
Energy: 0.9636689010925673
Energy: 0.9465956166097597
Energy: 0.8125938706942061
Energy: 0.9355706927407763
Energy: 0.7990592579965975
Energy: 0.9603266493207757
Energy: 0.8954019629074543
Energy: 0.6589643814534777
Energy: 0.9617808937241059
Energy: 0.9963078566363268
Energy: 0.913175145533102
Energy: 0.9375921515798405
Energy: 0.9679840772671928
Energy: 0.8736259088352818
Energy: 0.8059414601692564
Energy: 0.9627625289820293
Energy: 0.7754231942342603
Energy: 0.9266169170151564
Energy: 0.8953011947808314
Energy: 0.9930268869663799
Energy: 0.8289020734333954
Energy: 0.8952618263249837
Energy: 1.0060354011594503
Energy: 1.0605582817447627
Energy: 0.21333599769312322
Energy: 1.0123109694578243
Energy: 0.9149128686674138
Energy: 0.19476140771193415
Energy: 1.0165506729293936
Energy: 1.0083695866185673
Energy: 0.6532869866685337
Energy: 1.0358369348594305
Energy: 0.9969594013521362
Energy: 0.8555989214873524
Energy: 0.21886347573127382
Energy: 1.130832342997752
Energy: 0.8511484562506197
Energy: 0.8139309922848016
Energy: 0.6828973767269643
Energy: 0.867551839754978
Energy: 0.9336825817197885
Energy: 0.6255039110153545
Energy: 0.8407091224631231
Energy: 0.9579965995673311
Energy: 0.968219974222293
Energy: 0.984527638038832
Energy: 0.6420024227583656
Energy: 0.853577694559337
Energy: 0.9071691383655582
Energy: 1.0374940348653792

minimum gb energy = 0.005886930000804317 eV
minimum distance =  2.22908561564846 Angstroms
sigma value = 311


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

Energy: 0.6445872245341497
Energy: 0.9158807660526076
Energy: 0.8670092174207358
Energy: 1.0420371651677933
Energy: 0.6582235490052492
Energy: 0.41799616472646883
Energy: 0.28439279263843276
Energy: 0.8939458959791844
Energy: 0.893661478443335
Energy: 0.4255320674358417
Energy: 0.6666137744453986
Energy: 0.8196169146193769
Energy: 0.7890798351524281
Energy: 0.873762440056677
Energy: 0.7982867039680628
Energy: 0.7635600775323584
Energy: 0.9957920156971883
Energy: 0.4793208479747951
Energy: 0.733079487257988
Energy: 1.0327989207838724
Energy: 0.5030795763100304
Energy: 0.9572554502319398
Energy: 0.8517035900800323
Energy: 0.9403735610382085
Energy: 0.8967753396774272
Energy: 0.8919750473588803
Energy: 0.4786226490694719
Energy: 0.873732188096279
Energy: 0.7657224662067484
Energy: 0.847629105172439
Energy: 0.8442237711302677
Energy: 0.7290884353664557
Energy: 0.5165545600581359
Energy: 0.8916986702786703
Energy: 0.6159940246879447
Energy: 0.8167765118195153
Energy: 0.7339427215761316
Energy: 0.5765807305587608
Energy: 0.794978968009413
Energy: 0.9737099834658328
Energy: 0.7161079890855134
Energy: 0.8281785440864048
Energy: 0.7932115903280624
Energy: 0.9371191958422097
Energy: 0.9358746425959495
Energy: 0.7210780219025335
Energy: 0.7669552342404292
Energy: 0.7058512870416621
Energy: 0.4418819869746748
Energy: 0.901923093289985
Energy: 0.9040013303656654
Energy: 0.8026578155617685
Energy: 0.736597642372037
Energy: 0.9859126191190997
Energy: 0.8919603498159139
Energy: 0.8957744901769619
Energy: 0.8306667650081797
Energy: 0.5771723959462317
Energy: 0.5755953304616037
Energy: 0.6282365778578691
Energy: 0.8032456329564326
Energy: 0.4488731426409888
Energy: 0.45670470570271693
Energy: 0.80131647270849
Energy: 0.8728240650583391
Energy: 0.8960576908445921
Energy: 0.7915615925208029
Energy: 0.6807492823533505
Energy: 0.9385719735733999
Energy: 0.9080949524281573
Energy: 0.8552583607530568
Energy: 0.726669738640839
Energy: 0.6923797432586731
Energy: 0.9015567419009313
Energy: 0.8668142619293466
Energy: 0.7892767731610966
Energy: 0.5221246403298236
Energy: 0.42880069159061546
Energy: 0.9847375210695223
Energy: 0.8851055825071102
Energy: 1.015452095844946
Energy: 0.8548760534239376
Energy: 0.9602905390163016
Energy: 0.5079421596812743
Energy: 0.8030928790793151
Energy: 0.993197683655516
Energy: 0.8921913521710991
Energy: 0.8866152192305077
Energy: 0.9582362230669974
Energy: 0.29397835566435304
Energy: 0.9007560769034021
Energy: 0.8571750464820503
Energy: 0.1885901423684589
Energy: 0.7376226953757672
Energy: 0.7717073372433688
Energy: 0.8547636443070524
Energy: 0.7930531829037749
Energy: 0.7761016613253865
Energy: 0.7721189823106547
Energy: 0.7467444412015835
Energy: 0.34921716579443757
Energy: 1.0206223413214204
Energy: 0.5260108523873289
Energy: 0.4062692270072896
Energy: 0.6644537174513818
Energy: 0.5791602040713765
Energy: 0.8800293103096537
Energy: 0.7265337286984849
Energy: 0.5715795127931143
Energy: 0.9488978495381494
Energy: 0.7144613555037781
Energy: 0.7722692701941267
Energy: 0.8666744890243944
Energy: 0.7680841261809827
Energy: 0.775052497724441
Energy: 0.8658576594818405
Energy: 0.7040809310429873
Energy: 0.5268187060030932
Energy: 0.8723962393733956
Energy: 0.6268508140936505
Energy: 0.7955243404669852
Energy: 0.7492743961753845
Energy: 0.6724388753358703
Energy: 0.7535615132549043
Energy: 0.7343250115997692
Energy: 0.71422378411241
Energy: 0.5905869346758238
Energy: 0.7987017057488855
Energy: 0.5811915125624729
Energy: 0.7116045487828905
Energy: 0.8253263773840979
Energy: 0.7661976851432556
Energy: 0.5224009891872561
Energy: 0.7715982388969237
Energy: 0.8868146187610289
Energy: 0.8832671550408518
Energy: 0.8782076513765014
Energy: 0.49855550893578987
Energy: 0.7711983951511894
Energy: 0.8627516086703629
Energy: 0.9643230993511972
Energy: 0.6338310560290954
Energy: 0.5199877085955137
Energy: 0.6520087308500307
Energy: 0.8517566028610426
Energy: 0.8094428540454768
Energy: 0.9479994094840374
Energy: 0.9529610537022375
Energy: 0.8591312922004767
Energy: 0.9435588092229953
Energy: 0.4603927713254465
Energy: 0.9867295562149562
Energy: 0.9529757255316571
Energy: 0.44062544716874447
Energy: 0.825764421690857
Energy: 0.7397273990023868
Energy: 0.9020046406796082
Energy: 0.8941263870361343
Energy: 0.8546017634550765
Energy: 0.9184477563013237
Energy: 0.6832651176820839
Energy: 0.5538350159716473
Energy: 0.7682675386301805
Energy: 0.9967291014840246
Energy: 0.9010152993012849
Energy: 0.883368089471944
Energy: 0.7308742736057305
Energy: 1.0073849821561625
Energy: 0.9004615190058806
Energy: 1.0098342021134805
Energy: 0.9687873777920871
Energy: 0.8978108985698453
Energy: 0.8980479527121858
Energy: 0.9596919741731109
Energy: 0.9493117849757393
Energy: 0.8058381015138844
Energy: 0.8598142247061039
Energy: 0.7379908917715252
Energy: 0.7592431342640936
Energy: 0.7634009135362045
Energy: 0.8500650957001555
Energy: 0.7161226751272299
Energy: 1.0247941000754128
Energy: 0.7343637348443816
Energy: 0.5518646752903522
Energy: 0.5238573800527844
Energy: 0.6603298243346655
Energy: 0.5423201865966287
Energy: 0.40718147326272164
Energy: 0.6151457578311413
Energy: 0.9570575414409348
Energy: 0.688468263226441
Energy: 0.9598407200221767
Energy: 0.7753018549069259
Energy: 0.8764010172963895
Energy: 0.7001757027189052
Energy: 0.8101051448969163
Energy: 0.7572503067381169
Energy: 0.7432160308536474
Energy: 0.7408429294181799
Energy: 0.5965121592640523
Energy: 0.9134369844217916
Energy: 0.7008222976611859
Energy: 0.8989052209720011
Energy: 0.6293350188538035
Energy: 0.35974205275256915
Energy: 1.0199115362061089
Energy: 0.8436490445176742
Energy: 0.46163155522589383
Energy: 0.6368344352302304
Energy: 0.9345713481845862
Energy: 0.6740157716207077
Energy: 0.7317305238489142
Energy: 0.8963983836736135
Energy: 0.3880870609631089
Energy: 0.8218934282851562
Energy: 0.7653351226474262
Energy: 0.8336699733363024
Energy: 0.912810410572686
Energy: 0.5499174395373029
Energy: 0.9145205278188098
Energy: 0.5245472351668612
Energy: 0.4717920313707977
Energy: 0.7580184842200934
Energy: 1.1035331640338182
Energy: 1.1040240467639095
Energy: 0.8699127916105506
Energy: 0.5293423039277946
Energy: 0.9641039344611188
Energy: 0.9573644236341109
Energy: 0.6631525691066691
Energy: 0.23203459281654273
Energy: 1.0130461848076546
Energy: 0.5475218164501066
Energy: 0.6288862110508473
Energy: 0.8839329304950055
Energy: 0.7061816108251047
Energy: 0.9914448252533307
Energy: 0.9188550193212196
Energy: 0.32565563100540446
Energy: 0.716478492009096
Energy: 0.8945666006335775
Energy: 0.27346240237968694
Energy: 0.8619113026250306
Energy: 0.9816964511995907
Energy: 0.6109395928441498
Energy: 0.9379971631375958
Energy: 0.8884972803169574
Energy: 0.7344003621159952
Energy: 0.8915945834470139
Energy: 0.8966069014167611
Energy: 1.0351342546781503

minimum gb energy = 0.1885901423684589 eV
minimum distance =  2.25498467991568 Angstroms
sigma value = 39


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

Energy: 0.864334862725066
Energy: 0.09590928869665714
Energy: 0.6261042427255008
Energy: 0.5730082105974432
Energy: 0.5695222331102108
Energy: 0.5399743111090527
Energy: 0.023368397203632638
Energy: -0.018802365801617642
Energy: 0.10947691675391975
Energy: 0.289672717449455
Energy: 0.1799125198723147
Energy: 0.7281904283606856
Energy: 0.08760730875121438
Energy: 0.3993885794573797
Energy: 0.5439628749333687
Energy: 0.10707705993806917
Energy: 0.23560509570004154
Energy: 0.5221082801079232
Energy: 0.09715072723077958
Energy: 0.03372935779714405
Energy: 0.1896784412965376
Energy: 0.45810966669216835
Energy: 0.4698900751413206
Energy: 0.4447587737126062
Energy: 0.4590055744968273
Energy: 0.4738851172152151
Energy: 0.4595891939031653
Energy: 0.43971197199639567
Energy: 0.011553901665169475
Energy: -0.043253377455136244
Energy: 0.44221950965163803
Energy: 0.4568075975405689
Energy: -0.05153473620967271
Energy: 0.33994127991786977
Energy: 0.44090890763336543
Energy: 0.5483802329703914
Energy: 0.44849947394209644
Energy: 0.4283939381976298
Energy: 0.3945297415742057
Energy: 0.7088631539748532
Energy: 0.43973667592791943
Energy: 0.43651687224098906
Energy: 0.6869897775715142
Energy: 0.5401347792777091
Energy: 0.44082098552453214
Energy: 0.5566540960991814
Energy: 0.44683889692175804
Energy: 0.5413217061592877
Energy: 0.4601369515355895
Energy: 0.684647936514646
Energy: 0.7096139680123784
Energy: 0.4460799698692664
Energy: 0.4405741722128062
Energy: 0.6967583649201915
Energy: 0.4421922796978956
Energy: 0.5493725038509258
Energy: 0.4375145632895536
Energy: 0.25373551051653387
Energy: 0.10739223027931379
Energy: 0.43019324121839103
Energy: 0.47015060954798654
Energy: 0.020553850817973618
Energy: -0.004063217079084363
Energy: 0.4388502752136563
Energy: 0.5405544201225301
Energy: 0.5282616426032198
Energy: 0.379314849693822
Energy: 0.4535357530883714
Energy: 0.08137733818502403
Energy: 0.46194154945965094
Energy: -0.00025517826505218203
Energy: 0.09962188774518663
Energy: -0.0056793145000358924
Energy: 0.5275450547353407
Energy: 0.4450367231879389
Energy: 0.10102001688578015
Energy: 0.5534018889381331
Energy: 0.40511476444418015
Energy: 0.42885319709758585
Energy: 0.5258837567652445
Energy: 0.40443352938890836
Energy: 0.2819591363932209
Energy: 0.42609247705826875
Energy: 0.0033983621541930245
Energy: -0.268697406096954
Energy: 0.35501827377296113
Energy: 0.5451744766361102
Energy: 0.578730281525127
Energy: 0.38252522494064795
Energy: 0.45172878645643993
Energy: 0.5710944698702948
Energy: 0.4647913721021189
Energy: 0.11163878662282804
Energy: 0.43096231532262447
Energy: 0.5219187872009909
Energy: 0.6552897060969931
Energy: 0.7287894161934653
Energy: -0.01601494534910188
Energy: 0.4706983878506319
Energy: 0.5398115044853623
Energy: 0.28674948092078684
Energy: 0.5085806652181297
Energy: 0.44003879873685553
Energy: 0.10580511594438102
Energy: 0.47991850938414954
Energy: 0.5485962720072612
Energy: 0.5245375674987977
Energy: 0.5298807040016543
Energy: 0.5753740229245372
Energy: 0.02635326511713043
Energy: 0.5207498544211336
Energy: 0.5705061228240966
Energy: -0.014225158452673721
Energy: 0.08538972601171535
Energy: 0.1657593028239509
Energy: 0.18119749571276428
Energy: 0.7273050701801173
Energy: 0.09813897324970355
Energy: 0.011799661035932718
Energy: 0.5460141616050709
Energy: 0.09076919663165889
Energy: -0.09877781241897335
Energy: 0.5185770987185978
Energy: 0.09202939553739203
Energy: 0.01660911901170059
Energy: 0.18900169517218382
Energy: 0.45489620627417465
Energy: 0.4655309174404387
Energy: 0.4444151835067916
Energy: 0.4538943184436683
Energy: 0.47620192241075654
Energy: 0.4481375647270342
Energy: 0.441340553681362
Energy: 0.11472340811610193
Energy: -0.07835242839226733
Energy: 0.3428926331818461
Energy: 0.4577516362092829
Energy: 0.09820100481704605
Energy: 0.3373637717628229
Energy: 0.37518649291726724
Energy: 0.4301906859255242
Energy: 0.44324459189660576
Energy: 0.42191912350959243
Energy: 0.45745885742055414
Energy: 0.7332209482205424
Energy: 0.44168393616959745
Energy: 0.43734180843907633
Energy: 0.686262807061235
Energy: 0.5410581768277457
Energy: 0.441377136716037
Energy: 0.558891066008039
Energy: 0.447751140962511
Energy: 0.5412900328072012
Energy: 0.46312895525186043
Energy: 0.6835417223943939
Energy: 0.7100869497975292
Energy: 0.4485288930860072
Energy: 0.4427861999159598
Energy: 0.6968919198576535
Energy: 0.4434883473899768
Energy: 0.5420626040313135
Energy: 0.43551479896231277
Energy: 0.24497305816973544
Energy: 0.10650405640062534
Energy: 0.42584024435651086
Energy: 0.4484890220548209
Energy: 0.3440126310977596
Energy: 0.18568274604956891
Energy: 0.4345163762045355
Energy: 0.5415761185866413
Energy: 0.529289346640647
Energy: 0.5360242861205661
Energy: 0.4528348006275263
Energy: 0.0999618659957003
Energy: 0.46212391513883605
Energy: -0.00523589481346154
Energy: 0.09317910770263271
Energy: 0.010077474964911279
Energy: 0.5305503885878927
Energy: 0.44477209263126527
Energy: 0.10666271459528419
Energy: 0.5523539082655156
Energy: 0.40353860437555705
Energy: 0.44002434661099055
Energy: 0.03544210773483612
Energy: 0.40613676650617175
Energy: 0.2888716304529061
Energy: 0.5770953472856429
Energy: 0.5247930833100065
Energy: -0.27200692617146094
Energy: 0.35628152777036903
Energy: 0.5451333777085976
Energy: 0.5780767099184455
Energy: 0.3770371769257948
Energy: 0.4625860215155068
Energy: 0.5672690491849325
Energy: 0.5403795152781812
Energy: 0.7302119960317994
Energy: 0.4401094150738838
Energy: 0.5253079751811425
Energy: 0.6910626085441494
Energy: 0.10076562522318287
Energy: -0.03557600183438549
Energy: 0.29276878354134606
Energy: 0.5684435098566725
Energy: 0.2833974895192201
Energy: 0.5329027225900561
Energy: 0.3822399637128354
Energy: 0.10668030925677359
Energy: 0.47471359645955713

minimum gb energy = -0.27200692617146094 eV
minimum distance =  2.37061470098669 Angstroms
sigma value = 21


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

Energy: 1.2111254126070066
Energy: 0.2503544339490907
Energy: 0.687607576961696
Energy: 0.5706450666177326
Energy: 0.535732444934866
Energy: 0.4730604985600265
Energy: 0.33521978364215793
Energy: 0.4326492768479735
Energy: 0.4381651901459188
Energy: 0.4045023495817493
Energy: 0.36099164194986577
Energy: 0.502718715290957
Energy: 0.5010058720566756
Energy: 0.5873946427013897
Energy: 0.6380818668689395
Energy: 0.4198242762109203
Energy: 0.4826528363130482
Energy: 0.4158873217111405
Energy: 0.41383470818129015
Energy: 0.4226630461386373
Energy: 0.40054081538676184
Energy: 0.6898799425045969
Energy: 0.4813653081303284
Energy: 0.5071017521471911
Energy: 0.41296517540697975
Energy: 0.3235087982539969
Energy: 0.5101996637627985
Energy: 0.43120629472679295
Energy: 0.5009473796050069
Energy: 0.4230350807104973
Energy: 0.4866583848267857
Energy: 0.4639884893950911
Energy: 0.33594450015934346
Energy: 0.3490813492513092
Energy: 0.4051817997328057
Energy: 0.49089556292003267
Energy: 0.5560992081143447
Energy: 0.5690514506522397
Energy: 0.5364233273265084
Energy: 0.41730331629629674
Energy: 0.554732414830022
Energy: 0.565968682023631
Energy: 0.4735001083773002
Energy: 0.3837320820689433
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Energy: 0.212600879869678
Energy: 0.3934600008130551
Energy: 0.5391871154322562
Energy: 0.09188110530081353
Energy: 0.5401039793928281

minimum gb energy = 0.0025333267375895665 eV
minimum distance =  2.31149724801278 Angstroms
sigma value = 113


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

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Energy: -0.258890443645961
Energy: -0.27226565693513877
Energy: 0.01211681484432596

minimum gb energy = -0.6267587224704632 eV
minimum distance =  2.38331190108608 Angstroms
sigma value = 365


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

Energy: 1.3522041511524947
Energy: 0.36609479980439724
Energy: -0.13425079055004407
Energy: -0.146528426378998
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Energy: 0.29423291008007896
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Energy: 0.2980194808223966
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Energy: 0.4230520708152333
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Energy: 0.24389946464625292
Energy: 0.24525850336056618
Energy: 0.3066369868168126
Energy: 0.35040172513191326

minimum gb energy = -0.29972169873799065 eV
minimum distance =  2.40319621169385 Angstroms
sigma value = 23