Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_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=3.606302589178085
cohesive_energy=4.204648203132152
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: 0.020042953476767957
Energy: 0.802704836094989
Energy: 0.9265021889643708
Energy: 0.8027390013392837
Energy: 0.02004295347425217
Energy: 0.8027048360977621
Energy: 0.9265021889693738
Energy: 0.9258538699518218
Energy: 0.020582834812930887
Energy: 0.4050421179950591
Energy: 0.02056713643693504
Energy: 0.9258538699518218
Energy: 0.020582834812930887
Energy: 0.40504211799608825
Energy: 0.020042953476767957
Energy: 0.8027048360942457
Energy: 0.9265021889668865
Energy: 0.8027390013397696
Energy: 0.02004295347425217
Energy: 0.8027048360970188
Energy: 0.9265021889693738
Energy: 0.9258538699543375
Energy: 0.020582834812930887
Energy: 0.4050421179948304
Energy: 0.02056713643693504
Energy: 0.9258538699543375
Energy: 0.020582834812930887
Energy: 0.40504211799608825
Energy: 0.020042953476767957
Energy: 0.8027048360947603
Energy: 0.9265021889693738
Energy: 0.8027390013402842
Energy: 0.02004295347425217
Energy: 0.8027048360972762
Energy: 0.9265021889718894
Energy: 0.9258538699518218
Energy: 0.020582834812930887
Energy: 0.4050421179950591
Energy: 0.02056713643693504
Energy: 0.9258538699543375
Energy: 0.020582834812930887
Energy: 0.405042117995831

minimum gb energy = 0.02004295347425217 eV
minimum distance =  2.5317801732777 Angstroms
sigma value = 5


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

Energy: 2.0390333298195293
Energy: 1.91508752544746
Energy: 1.952448485952076
Energy: 1.9153421357491833
Energy: 2.0390333298072347
Energy: 1.91508752544746
Energy: 1.9337504187239298
Energy: 1.8984376294992122
Energy: 1.8842763632060504
Energy: 1.9411940447148592
Energy: 1.9097117195261912
Energy: 1.8984376294899918
Energy: 1.8842763632214181
Energy: 1.9411940446964182
Energy: 1.9112328703101729
Energy: 1.9157141949716738
Energy: 1.872626878679633
Energy: 1.908181566769542
Energy: 1.91123287031632
Energy: 1.9157141949870415
Energy: 1.8726268786827065
Energy: 1.9816529478820784
Energy: 1.9412623580167248
Energy: 1.9106443895110934
Energy: 1.9444241316284434
Energy: 1.9816529478605638
Energy: 1.9412623580197985
Energy: 1.9106443895264607
Energy: 1.9422525806815183
Energy: 1.8917110168391833
Energy: 1.9281750250286283
Energy: 1.9058803829286135
Energy: 1.9422525807061064
Energy: 1.8917110168699185
Energy: 1.8828391918221918
Energy: 1.9242984465273822
Energy: 1.9363662636205117
Energy: 1.9350456111375072
Energy: 1.8889215872917213
Energy: 1.9242984465549882
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Energy: 1.9350456111590215
Energy: 1.9091014021268766
Energy: 1.9503563670154398
Energy: 1.9041121250132877
Energy: 1.9452634813942642
Energy: 1.9091014021422443
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Energy: 1.9041121250163613
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Energy: 1.9092987324116582
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Energy: 1.9095915745790775
Energy: 1.8900718944162709
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Energy: 1.9249048092987153
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Energy: 1.889471704731415
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Energy: 1.9613415766127718
Energy: 1.9557150331480957
Energy: 1.9476345854943051
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Energy: 1.955715033178831
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Energy: 1.8701298205295398
Energy: 1.9237722447994805
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Energy: 1.9248153878624399
Energy: 1.938393120746975
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Energy: 1.9282830361480794
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Energy: 1.8970732153685603
Energy: 1.9229311685365025
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Energy: 1.9295542444597882
Energy: 1.8970732153900753
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Energy: 1.9012835827704822
Energy: 1.9252032414796847
Energy: 1.9284564685768548
Energy: 1.8676662172298182
Energy: 1.9608355620385485
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Energy: 1.9284564685768548
Energy: 1.8676662171929357
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Energy: 1.8899611461843673
Energy: 1.925007187263272
Energy: 1.9259923331694053
Energy: 1.9075351102588531
Energy: 1.8899611461966612
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Energy: 1.9341540863051772
Energy: 1.930846987007182
Energy: 1.886912577528721
Energy: 1.9415650945575558
Energy: 1.9341540863082507
Energy: 1.9308469869856675
Energy: 1.886912577494912
Energy: 1.9413188504085115
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Energy: 1.8996600413151514
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Energy: 1.9464441153682237
Energy: 1.8764795542873087
Energy: 1.9412370470135059
Energy: 1.9091628025219427
Energy: 1.9464441153529117
Energy: 1.8764795542811619
Energy: 1.9082721358382626
Energy: 1.932085545236458
Energy: 1.890377606501589
Energy: 1.9326208735240022
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Energy: 1.932085545251826
Energy: 1.8903776064770568
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Energy: 1.9031906795426432
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Energy: 1.9105154393989272
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Energy: 1.8931674539062373
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Energy: 1.9466075565481327
Energy: 1.9385165449603383
Energy: 1.9795051926797023
Energy: 1.9368781998544795
Energy: 1.946607556572665
Energy: 1.9385165449757058
Energy: 1.9795051926551142
Energy: 1.9257828082963808
Energy: 1.9271775726077423
Energy: 1.8929938742728598
Energy: 1.9112318989370363
Energy: 1.9257828082933073
Energy: 1.9271775726200362
Energy: 1.8929938742912449
Energy: 2.020542982227048
Energy: 1.8826211032122777
Energy: 1.9257132937929797
Energy: 1.8954759718878944
Energy: 2.020542982217828
Energy: 1.8826211031907634
Energy: 1.9257132937960533
Energy: 1.9892272801234672
Energy: 1.9814000424606815
Energy: 1.9059489792449504
Energy: 1.9825074189743304
Energy: 1.9892272801357052
Energy: 1.981400042457608
Energy: 1.905948979269539
Energy: 1.9121772274692999
Energy: 1.9259233605748136
Energy: 1.8435440615430254
Energy: 1.8876771149458031
Energy: 1.9121772274908144
Energy: 1.9259233605932546
Energy: 1.843544061506199
Energy: 1.8957069568464615
Energy: 1.9120387609086598
Energy: 1.9793389737022462
Energy: 1.9270174506695286
Energy: 1.895706956858756
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Energy: 1.979338973696099
Energy: 1.9430303066313923
Energy: 1.959438222812888
Energy: 1.8970392054507226
Energy: 1.9489721525311035
Energy: 1.9430303066344659
Energy: 1.959438222794447
Energy: 1.8970392054660903
Energy: 1.9085277959711189
Energy: 1.906456294967566
Energy: 1.9104968864144833
Energy: 1.8723976184352435
Energy: 1.9085277959557512
Energy: 1.906456294995228
Energy: 1.9104968864144833
Energy: 1.9452667295143007
Energy: 1.936011608979962
Energy: 1.897475874503807
Energy: 1.9105812024282884
Energy: 1.9452667294897128
Energy: 1.9360116089645942
Energy: 1.907163195774097
Energy: 1.9499717093085902
Energy: 1.90998036591022
Energy: 1.8873840806291715
Energy: 1.9095562788758924
Energy: 1.9499717092932225
Energy: 1.909980365894908
Energy: 1.887384080666054
Energy: 1.9092019795040944
Energy: 1.9116274759751153
Energy: 1.900129563960524
Energy: 1.923000307332878
Energy: 1.9092019795163888
Energy: 1.9116274759628769
Energy: 1.9001295639819833
Energy: 1.9414218350265293
Energy: 1.935426509715618
Energy: 1.9000403132369619
Energy: 1.9230969516836336
Energy: 1.9414218350265293
Energy: 1.9354265096941035
Energy: 1.9000403132431092
Energy: 1.8721995960016926
Energy: 1.9421094548107378
Energy: 1.9595981109585259
Energy: 1.93120912945624
Energy: 1.8721995960016926
Energy: 1.9421094548353262
Energy: 1.959598110976967
Energy: 1.8914258190755557
Energy: 1.9230508378562776
Energy: 1.9024309773667019
Energy: 1.8911940098746893
Energy: 1.8914258190448203
Energy: 1.9230508378501305
Energy: 1.9024309773820693
Energy: 1.9258691845236409
Energy: 1.9795465784290212
Energy: 1.8640956503740995
Energy: 1.9472974693440583
Energy: 1.9258691845051998
Energy: 1.9795465784014152
Energy: 1.8640956503771733
Energy: 1.8867262575410166
Energy: 1.8675049579838017
Energy: 1.9010029308790939
Energy: 1.9135257979717901
Energy: 1.8867262575625312
Energy: 1.8675049579469194
Energy: 1.9010029308667997
Energy: 1.921356000125212
Energy: 1.9248205820988986
Energy: 1.9105346936031193
Energy: 1.9248977940991765
Energy: 1.921356000125212
Energy: 1.9248205820927518
Energy: 1.9105346935846783
Energy: 1.9615932210523392
Energy: 1.9135876061233204
Energy: 1.9231108049647154
Energy: 1.8724183966480976
Energy: 1.9615932210492657
Energy: 1.9135876061356145
Energy: 1.923110804992377
Energy: 1.9319402486988264
Energy: 1.947222423676067
Energy: 1.9067206442617948
Energy: 1.9616008065597275
Energy: 1.9319402486711645
Energy: 1.9472224236729934
Energy: 1.9067206442372622
Energy: 1.9132278422283404
Energy: 1.9242745851877645
Energy: 1.9055332620981384
Energy: 1.9154928611185986
Energy: 1.9132278422252673
Energy: 1.9242745851816174
Energy: 1.9055332621318914
Energy: 1.8721461890467315
Energy: 1.9442818879942585
Energy: 1.8943824462045544
Energy: 1.9409039721373327
Energy: 1.8721461890713198
Energy: 1.9442818880034791
Energy: 1.8943824462045544
Energy: 1.9414845198459298
Energy: 1.9450549209153498
Energy: 1.9020549071256996
Energy: 1.9440091860565574
Energy: 1.9414845198274888
Energy: 1.9450549209368648
Energy: 1.9020549071379935
Energy: 1.8723881194252825
Energy: 1.9420736840151753
Energy: 1.9096893860962096
Energy: 1.9309061040308948
Energy: 1.8723881194345031
Energy: 1.9420736840336164
Energy: 1.9096893860962096

minimum gb energy = 1.843544061506199 eV
minimum distance =  2.26296511084582 Angstroms
sigma value = 401


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

Energy: 1.9342784950052825
Energy: 2.0116875617952443
Energy: 1.9636091554487896
Energy: 2.0006832214866463
Energy: 1.9342784949913274
Energy: 2.0116875617987335
Energy: 1.9177577656098446
Energy: 1.909247590188799
Energy: 2.013719289685249
Energy: 1.939363982995415
Energy: 1.9583978198522578
Energy: 1.909247590192288
Energy: 2.0137192896817604
Energy: 1.9219306628879045
Energy: 1.899751762127578
Energy: 2.005749313700325
Energy: 1.9403774073161733
Energy: 1.9736361298175722
Energy: 1.899751762110134
Energy: 2.005749313703814
Energy: 1.9190336750044366
Energy: 1.8997010478487117
Energy: 2.0239120306135128
Energy: 1.922076525400861
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Energy: 1.8997010478522005
Energy: 2.023912030627468
Energy: 1.9220765253973722
Energy: 1.8998623505633685
Energy: 2.01776638093165
Energy: 1.9397967682170174
Energy: 1.9528284181292692
Energy: 1.8998623505808125
Energy: 2.0177663809351385
Energy: 1.9185095680679345
Energy: 1.8995719567775506
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Energy: 1.9145790059086398
Energy: 2.0006961338733475
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Energy: 1.992398817260544
Energy: 1.9098385968851337
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Energy: 1.9501860684464962
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Energy: 1.9406502134766577
Energy: 1.937216797049317
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Energy: 1.9302315029211894
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Energy: 1.953250035289989
Energy: 1.9786251988816592
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Energy: 1.9213202607856874
Energy: 1.899473828119014
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Energy: 1.918675984215828
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Energy: 1.9576271192923855
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Energy: 2.0057493136968363
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Energy: 1.9736361298175722
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Energy: 1.955438103402612
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Energy: 1.943106098400845
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Energy: 1.9532500352760338
Energy: 1.9431060984043338
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Energy: 1.9270367458908841
Energy: 2.014882553462824
Energy: 1.899272074405669
Energy: 1.9877114033085534
Energy: 1.9270367458839066
Energy: 1.8995474978997984
Energy: 1.9564527571880035
Energy: 1.92132026077871
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Energy: 1.956452757184515
Energy: 1.9213202607961537
Energy: 1.8995844913450617
Energy: 1.959353555595913
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Energy: 1.8995844913415727
Energy: 1.9593535555854467
Energy: 1.9392176046873608
Energy: 1.919809315753899
Energy: 1.9921103417475912
Energy: 1.9335475444844117
Energy: 1.973835380581789
Energy: 1.91980931575041
Energy: 1.9921103417580577
Energy: 1.9335475444844117
Energy: 1.934278494998305
Energy: 2.0116875617882672
Energy: 1.9177577656237996
Energy: 2.0006832214971126
Energy: 1.9342784949948162
Energy: 2.0116875617882672
Energy: 1.9561051231553925
Energy: 1.9092475901853105
Energy: 2.0137192896817604
Energy: 1.921930662880927
Energy: 1.9583978198592353
Energy: 1.9092475901992656
Energy: 2.0137192896817604
Energy: 1.9219306628913932
Energy: 1.899751762127578
Energy: 2.0057493136968363
Energy: 1.9190336750009476
Energy: 1.9736361298175722
Energy: 1.899751762113623
Energy: 2.005749313700325
Energy: 1.9190336750044366
Energy: 1.8997010478487117
Energy: 2.023912030627468
Energy: 1.9220765253938834
Energy: 1.9037553941083534
Energy: 1.8997010478591778
Energy: 2.023912030634446
Energy: 1.9220765253973722
Energy: 1.8998623505633685
Energy: 2.0177663809351385
Energy: 1.9185095680749125
Energy: 1.9528284181257807
Energy: 1.899862350573835
Energy: 2.01776638093165
Energy: 1.918509568060957
Energy: 1.8995719567740619
Energy: 1.9923988172884544
Energy: 1.9294924473886519
Energy: 2.000696133880325
Energy: 1.8995719567740619
Energy: 1.9923988172675215
Energy: 1.9294924473816746
Energy: 1.899672853378419
Energy: 1.940650213473169
Energy: 1.9530583161763404
Energy: 1.950186068460451
Energy: 1.8996728533749303
Energy: 1.94065021346968
Energy: 1.953058316183318
Energy: 1.899225919284171
Energy: 1.9554381033991233
Energy: 1.9043244914432997
Energy: 1.9457597480477886
Energy: 1.8992259192702157
Energy: 1.9554381034095896
Energy: 1.9043244914293447
Energy: 1.8993895088869324
Energy: 1.9532500352795226
Energy: 1.92953953125713
Energy: 2.0143656769827336
Energy: 1.8993895088904214
Energy: 1.9532500352830116
Energy: 1.9295395312745736
Energy: 1.8992720743986915
Energy: 1.987711403315531
Energy: 1.9203625164689737
Energy: 2.014882553469801
Energy: 1.8992720744091578
Energy: 1.987711403301576
Energy: 1.9203625164829288
Energy: 1.8995474978893319
Energy: 1.9741680460266273
Energy: 1.9213202607717326
Energy: 2.0145394375564543
Energy: 1.8995474978963096
Energy: 1.9741680460231386
Energy: 1.921320260792665
Energy: 1.8994738281155252
Energy: 1.9593535555924242
Energy: 1.942283001016852
Energy: 2.016213854842174
Energy: 1.899473828122503
Energy: 1.9593535555854467
Energy: 1.9422830010203405
Energy: 1.9361681376028308
Energy: 1.9921103417441024
Energy: 1.9335475445018555
Energy: 1.9738353805678337
Energy: 1.9361681375888757
Energy: 1.9921103417510797
Energy: 1.9335475444983665
Energy: 1.9486001989869552
Energy: 2.0116875617952443
Energy: 1.9177577656203109
Energy: 2.000683221490135
Energy: 1.948600198993933
Energy: 2.0116875617987335
Energy: 1.9177577656133333
Energy: 1.909247590192288
Energy: 2.0137192896747824
Energy: 1.9219306628844157
Energy: 1.9611853509493067
Energy: 1.9092475902027541
Energy: 2.013719289678271
Energy: 1.9219306628913932

minimum gb energy = 1.8992259192632384 eV
minimum distance =  2.29556072539973 Angstroms
sigma value = 311


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

Energy: 2.1171368144242657
Energy: 1.987856849135752
Energy: 2.1192662416408883
Energy: 1.9657824434529227
Energy: 2.117136814423057
Energy: 1.9878568491417945
Energy: 2.0616709110849616
Energy: 2.109484041892729
Energy: 1.9628058318539234
Energy: 1.9859287920053268
Energy: 2.00667318301367
Energy: 2.109484041891923
Energy: 1.9628058318486865
Energy: 1.9859287920089521
Energy: 2.031683709775565
Energy: 1.9489461217291675
Energy: 2.1036657592593877
Energy: 1.9663774670438436
Energy: 2.031683709771134
Energy: 1.948946121736016
Energy: 2.0780130934552883
Energy: 1.9618595795482066
Energy: 1.9629131686805963
Energy: 2.011365452747955
Energy: 1.9265996983414544
Energy: 1.9618595795530407
Energy: 1.9629131686834165
Energy: 2.0113654527475524
Energy: 2.063018220176672
Energy: 1.9729688124177116
Energy: 2.0801301225222297
Energy: 1.9309180351721071
Energy: 2.063018220175463
Energy: 1.972968812413683
Energy: 2.058505115302446
Energy: 1.9996719607288962
Energy: 2.004589084321255
Energy: 1.947634174672029
Energy: 1.89661539014549
Energy: 1.999671960729299
Energy: 2.0045890843216583
Energy: 1.947634174671626
Energy: 2.0462996557346096
Energy: 1.9695817744050343
Energy: 2.0492259087442126
Energy: 2.0145668380740736
Energy: 2.046299655736624
Energy: 1.96958177440866
Energy: 1.9547665438105353
Energy: 1.9617931315599744
Energy: 1.9876203541716175
Energy: 1.9736796813077866
Energy: 1.9813875027609114
Energy: 1.9617931315615855
Energy: 1.9876203541663806
Energy: 1.9736796813025497
Energy: 2.0462145625567536
Energy: 1.9905058839503074
Energy: 1.9762202041368246
Energy: 1.98897002851293
Energy: 2.0462145625583648
Energy: 1.9905058839539327
Energy: 1.9762202041315877
Energy: 1.95628407299243
Energy: 2.017954786393336
Energy: 2.0599742105656778
Energy: 1.9666670930274959
Energy: 1.9562840729980697
Energy: 2.017954786394544
Energy: 2.0599742105652745
Energy: 2.0724339410024366
Energy: 2.0010876396308457
Energy: 1.995208969948519
Energy: 1.9448749504833849
Energy: 2.0724339410108596
Energy: 2.0010876396316513
Energy: 1.995208969954159
Energy: 1.994380002520693
Energy: 2.0288638504555707
Energy: 2.035938425259889
Energy: 2.0322246876835393
Energy: 1.9943800025214988
Energy: 2.0288638504495284
Energy: 2.0359384252590838
Energy: 2.0550483548252036
Energy: 1.9738545404958712
Energy: 2.0963167030651744
Energy: 1.9980646918151024
Energy: 2.0550483548256064
Energy: 1.9738545404990944
Energy: 2.096316703058326
Energy: 2.032124978567646
Energy: 1.9500809465740272
Energy: 2.061240913467238
Energy: 1.9824847578138858
Energy: 2.0321249785696605
Energy: 1.950080946574833
Energy: 2.0612409134632093
Energy: 2.0145453079821354
Energy: 1.9888480232587615
Energy: 2.0379319175860937
Energy: 1.9338792249355161
Energy: 2.014545307983747
Energy: 1.9888480232571504
Energy: 2.0379319175901225
Energy: 1.9670337492402128
Energy: 2.0844253711951533
Energy: 2.0318515774345354
Energy: 2.0246119421900226
Energy: 1.9670337492462555
Energy: 2.0844253711931393
Energy: 2.03185157743655
Energy: 2.0205478858396746
Energy: 2.0062758531848224
Energy: 1.981178355481705
Energy: 2.0231802863805113
Energy: 2.020547885844106
Energy: 2.006275853180794
Energy: 1.9811783554844886
Energy: 1.989598498575254
Energy: 1.971242741979524
Energy: 2.128344620237413
Energy: 1.99027408410666
Energy: 1.9895984985768653
Energy: 1.9712427419811356
Energy: 2.128344620232176
Energy: 2.046101988406366
Energy: 2.001016256200237
Energy: 1.9452302675956037
Energy: 1.980965672908656
Energy: 2.0461019884107974
Energy: 2.001016256200237
Energy: 1.945230267592381
Energy: 1.9619558841657283
Energy: 2.006677887507493
Energy: 1.9750139079902873
Energy: 1.9868456034889834
Energy: 1.9619558841629083
Energy: 2.006677887501853
Energy: 1.9750139079898845
Energy: 2.0464420920288453
Energy: 2.0120233412232973
Energy: 2.0178346687696154
Energy: 1.9653055143774192
Energy: 2.046442092032874
Energy: 2.0120233412313544
Energy: 2.017834668772436
Energy: 1.9615168605974977
Energy: 1.9998290975845452
Energy: 1.9328991283214392
Energy: 1.9446051069361874
Energy: 1.9615168605950806
Energy: 1.999829097587365
Energy: 1.9328991283157995
Energy: 2.0229707052633024
Energy: 1.905709812055661
Energy: 2.026312359342943
Energy: 1.9728091967663086
Energy: 2.0229707052556485
Energy: 1.9057098120588836
Energy: 2.026312359346569
Energy: 1.988410256989006
Energy: 1.9608192396726314
Energy: 1.973103235179025
Energy: 2.016259465524107
Energy: 1.9884102569914233
Energy: 1.9608192396726314
Energy: 1.9731032351806366
Energy: 1.9955242490550535
Energy: 1.9600257781061594
Energy: 2.027129279697717
Energy: 2.0407250054707746
Energy: 1.9955242490530392
Energy: 1.960025778106965
Energy: 2.0271292797017453
Energy: 2.0670699977426383
Energy: 2.0077111954977473
Energy: 2.0160039021894147
Energy: 1.9416472729929333
Energy: 2.0670699977478755
Energy: 2.007711195504596
Energy: 2.0160039021822
Energy: 2.077257134824196
Energy: 1.9657020561513197
Energy: 2.010743001343642
Energy: 1.9697530968987913
Energy: 2.077257134821376
Energy: 1.9657020561489027
Energy: 2.010743001348879
Energy: 2.1012746022857254
Energy: 1.9734801307379113
Energy: 1.9958337651840345
Energy: 2.0358709694933874
Energy: 2.1012746022869337
Energy: 1.9734801307399252
Energy: 1.9958337651792002
Energy: 2.0520334605113044
Energy: 1.9103270301973299
Energy: 2.1014267206287496
Energy: 1.962807887279807
Energy: 2.0520334605105357
Energy: 1.9103270301937043
Energy: 2.1014267206235124
Energy: 1.9787275074399064
Energy: 1.9512983507184753
Energy: 1.9920019771529962
Energy: 1.9173194764031973
Energy: 1.9787275074419204
Energy: 1.951298350719281
Energy: 1.9920019771529962
Energy: 2.0720006245420346
Energy: 1.9730759408134595
Energy: 2.0660171450887392
Energy: 1.9557580233017946
Energy: 2.0720006245424374
Energy: 1.9730759408106393
Energy: 2.0660171450887392
Energy: 2.000080257209686
Energy: 1.9954084381792434
Energy: 1.9633183752054466
Energy: 1.9241433220746458
Energy: 2.0000802572104917
Energy: 1.995408438174812
Energy: 1.9633183752046406
Energy: 2.0731739600430097
Energy: 1.9964425887549537
Energy: 1.9868418135793018
Energy: 2.003370210044491
Energy: 2.0731739600466352
Energy: 1.9964425887557595
Energy: 1.9868418135797048
Energy: 1.961741307927851
Energy: 1.9874162900225456
Energy: 2.0606842831053465
Energy: 1.9570587706197504
Energy: 1.9617413079246284
Energy: 1.9874162900177113
Energy: 2.060684283114612
Energy: 2.0620768995401413
Energy: 1.99052994665532
Energy: 2.019758902249844
Energy: 1.9572336393936192
Energy: 2.0620768995413497
Energy: 1.99052994665532
Energy: 2.0197589022494413
Energy: 1.9571229143750086
Energy: 1.990394797430077
Energy: 2.1244486590212284
Energy: 1.9666375614518017
Energy: 1.9571229143758142
Energy: 1.990394797430077
Energy: 2.124448659018408

minimum gb energy = 1.89661539014549 eV
minimum distance =  2.27511766411165 Angstroms
sigma value = 39


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

Energy: 1.9770853580692647
Energy: 2.0126642950340363
Energy: 2.0549136624788735
Energy: 2.012913324805992
Energy: 1.9770853580702157
Energy: 2.0126642950373643
Energy: 2.0933587994178864
Energy: 1.9565435631969805
Energy: 1.9791875296649613
Energy: 1.8005353546870364
Energy: 1.9792063342954032
Energy: 1.956543563183668
Energy: 1.9791875296578296
Energy: 1.800535354687512
Energy: 1.9767909834950126
Energy: 1.8418410568780506
Energy: 1.8763326539176788
Energy: 2.011088043662888
Energy: 1.9767909834802742
Energy: 1.8418410568885102
Energy: 1.8595872222027379
Energy: 1.965977550002883
Energy: 1.9814680347129354
Energy: 1.8005324606571154
Energy: 1.951829645925228
Energy: 1.9659775500119165
Energy: 1.9814680347010496
Energy: 1.800532460670903
Energy: 2.0189728843484556
Energy: 2.0107441426579857
Energy: 1.9690073909008659
Energy: 2.0113026946593164
Energy: 2.018972884356538
Energy: 2.0107441426594117
Energy: 1.9310295716007353
Energy: 1.9557567560039795
Energy: 1.9796101042891414
Energy: 2.033436408859858
Energy: 1.9536587396166836
Energy: 1.9557567559997007
Energy: 1.9796101042905676
Energy: 2.0334364088493984
Energy: 2.1390839074258747
Energy: 2.010912895878755
Energy: 1.9975615692646291
Energy: 2.010942580450784
Energy: 2.139083907444892
Energy: 2.0109128958835094
Energy: 1.9567500409983696
Energy: 1.9551743295444124
Energy: 1.8152356527332156
Energy: 1.9075053470793522
Energy: 1.8153309949902336
Energy: 1.9551743295486914
Energy: 1.8152356527265592
Energy: 1.9075053470693677
Energy: 2.1389519685586995
Energy: 2.0108956924422747
Energy: 1.9940670919130887
Energy: 2.0108932350535964
Energy: 2.138951968543486
Energy: 2.0108956924460784
Energy: 1.941395745133581
Energy: 1.9556024764320077
Energy: 1.9535577051842867
Energy: 2.032778730690301
Energy: 1.9795902238148537
Energy: 1.9556024764405657
Energy: 1.953557705181434
Energy: 2.032778730676989
Energy: 2.019068734772344
Energy: 2.011226695122428
Energy: 1.8310496712390438
Energy: 2.0107292026942147
Energy: 2.0190687347709173
Energy: 2.011226695127182
Energy: 1.8482219240204536
Energy: 1.9554162866348626
Energy: 1.9519612778661655
Energy: 1.8005054903061908
Energy: 1.983565348756376
Energy: 1.9554162866410434
Energy: 1.9519612778728217
Energy: 1.800505490309994
Energy: 1.9769440075907099
Energy: 2.01106507282
Energy: 1.8201865033912559
Energy: 1.8418519498945682
Energy: 1.976944007597798
Energy: 2.0110650728133437
Energy: 1.833327018129139
Energy: 1.956570319210904
Energy: 1.9792104727915887
Energy: 1.8006562456579387
Energy: 1.9789251406266992
Energy: 1.9565703192237411
Energy: 1.9792104727911133
Energy: 1.8006562456517579
Energy: 1.9770853580702157
Energy: 2.0126642950340363
Energy: 1.8881439686820847
Energy: 2.012913324805041
Energy: 1.9770853580687893
Energy: 2.012664295038315
Energy: 1.984351597925896
Energy: 1.956543563196505
Energy: 1.9791875296659123
Energy: 1.8005353546865612
Energy: 1.9792063342958786
Energy: 1.9565435631846189
Energy: 1.9791875296640105
Energy: 1.8005353546889384
Energy: 1.97679098349216
Energy: 1.841841056875198
Energy: 1.8763326539181544
Energy: 2.011088043658134
Energy: 1.9767909834793231
Energy: 1.841841056887084
Energy: 1.8595872222065417
Energy: 1.965977550002883
Energy: 1.9814680347058038
Energy: 1.800532460660919
Energy: 1.9518296459276054
Energy: 1.9659775500119165
Energy: 1.9814680346934423
Energy: 1.800532460675182
Energy: 2.0189728843479804
Energy: 2.0107441426560837
Energy: 1.9310295716054895
Energy: 2.011302694662169
Energy: 2.0189728843574892
Energy: 2.0107441426579857
Energy: 1.9310295716007353
Energy: 1.955756756004455
Energy: 1.9796101042910432
Energy: 2.0334364088603336
Energy: 1.9536587396176344
Energy: 1.955756756002078
Energy: 1.9796101042924696
Energy: 2.0334364088493984
Energy: 2.1390839074273007
Energy: 2.010912895881132
Energy: 1.9975615692674815
Energy: 2.010942580450784
Energy: 2.139083907446319
Energy: 2.0109128958839846
Energy: 1.9555463067611265
Energy: 1.9551743295453634
Energy: 1.8152356527298872
Energy: 1.9075053470779257
Energy: 1.8153309949907093
Energy: 1.9551743295505932
Energy: 1.8152356527256084
Energy: 1.90750534706604
Energy: 2.1389519685591756
Energy: 2.010895692444652
Energy: 1.9857216284593884
Energy: 2.010893235054547
Energy: 2.138951968543486
Energy: 2.0108956924508328
Energy: 2.0276864258065976
Energy: 1.955602476433434
Energy: 1.9535577051828603
Energy: 2.032778730692679
Energy: 1.9795902238143783
Energy: 1.955602476441992
Energy: 1.9535577051771549
Energy: 2.0327787306784155
Energy: 2.019068734770442
Energy: 2.011226695130035
Energy: 1.7881099382818342
Energy: 2.0107292026908867
Energy: 2.0190687347656877
Energy: 2.0112266951262314
Energy: 1.9038362078439914
Energy: 1.9554162866358136
Energy: 1.9519612778661655
Energy: 1.800505490304289
Energy: 1.9835653487611302
Energy: 1.9554162866377154
Energy: 1.9519612778713953
Energy: 1.8005054903085678
Energy: 1.9769440075935194
Energy: 2.0110650728214265
Energy: 1.8460626963260083
Energy: 1.8418519498983714
Energy: 1.9769440075992244
Energy: 2.0110650728138193
Energy: 1.7888788638955764
Energy: 1.9565703192094779
Energy: 1.9792104727915887
Energy: 1.8006562456584139
Energy: 1.9789251406247974
Energy: 1.9565703192218393
Energy: 1.9792104727939661
Energy: 1.8006562456522333
Energy: 1.9770853580683136
Energy: 2.0126642950335607
Energy: 1.9564704513327829
Energy: 2.012913324804566
Energy: 1.9770853580706909
Energy: 2.0126642950378395
Energy: 2.005955540590226
Energy: 1.956543563197456
Energy: 1.9791875296640105
Energy: 1.8005353546860856
Energy: 1.9792063342954032
Energy: 1.9565435631850945
Energy: 1.9791875296587806
Energy: 1.8005353546879874

minimum gb energy = 1.7881099382818342 eV
minimum distance =  2.30033933969245 Angstroms
sigma value = 21


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

Energy: 2.0719767007017262
Energy: 1.9417500459258965
Energy: 1.9446396605353868
Energy: 1.941282482727495
Energy: 2.071976700705766
Energy: 1.941750045927051
Energy: 1.9446396605342327
Energy: 2.0607715526734163
Energy: 1.9329796362273888
Energy: 1.7437541162616834
Energy: 1.9330423331924484
Energy: 2.060771552672262
Energy: 1.9329796362239258
Energy: 1.7437541162616834
Energy: 2.071943024760662
Energy: 1.9019846939020455
Energy: 1.8808875722898648
Energy: 1.948721013281359
Energy: 2.0719430247618162
Energy: 1.901984693900314
Energy: 1.8808875722858247
Energy: 2.069146256681559
Energy: 1.9440479790008633
Energy: 1.8515765131055721
Energy: 1.9330811004984911
Energy: 2.0691462566792507
Energy: 1.9440479790014402
Energy: 1.8515765131038404
Energy: 1.959746091297143
Energy: 1.8520028694019774
Energy: 1.9839041583349715
Energy: 1.8514592040757143
Energy: 1.9597460912994518
Energy: 1.8520028694031316
Energy: 1.9839041583349715
Energy: 2.069063636598705
Energy: 1.8575619687270657
Energy: 2.089976654340499
Energy: 1.9340031617039346
Energy: 2.069063636601591
Energy: 1.857561968731106
Energy: 2.089976654346271
Energy: 2.018861631711055
Energy: 1.8519724763205556
Energy: 1.941260107851746
Energy: 1.9788903055489546
Energy: 2.0188616317064376
Energy: 1.8519724763159382
Energy: 1.9825887521694228
Energy: 2.0081127006970907
Energy: 1.9467139997736578
Energy: 2.0896347009628915
Energy: 1.934228636387505
Energy: 2.0081127006999764
Energy: 1.9467139997742349
Energy: 2.089634700956543
Energy: 2.019678299074862
Energy: 1.9335659229750353
Energy: 1.9149590659095466
Energy: 1.9715586447370919
Energy: 2.019678299081788
Energy: 1.9335659229756126
Energy: 1.914959065911278
Energy: 2.0185049710958456
Energy: 1.961115548137765
Energy: 1.8267747789464104
Energy: 1.933388529358075
Energy: 2.0185049711010397
Energy: 1.9611155481394964
Energy: 1.8267747789481417
Energy: 2.1012973819170613
Energy: 1.9493360277784955
Energy: 1.9926009744123292
Energy: 1.9463053718563532
Energy: 2.1012973819135983
Energy: 1.9493360277692608
Energy: 1.992600974419832
Energy: 1.846614682428914
Energy: 1.9590382915248008
Energy: 1.8510964193176043
Energy: 1.848685089413164
Energy: 1.8466146824341085
Energy: 1.9590382915242237
Energy: 1.851096419323376
Energy: 2.094034035446819
Energy: 1.94832669606607
Energy: 2.001197716447523
Energy: 1.9317693664444708
Energy: 2.094034035452014
Energy: 1.948326696068956
Energy: 2.001197716449832
Energy: 1.84667548988477
Energy: 1.9595786120058156
Energy: 1.9255039931434699
Energy: 1.8486520431879443
Energy: 1.8466754898841928
Energy: 1.9595786120023786
Energy: 1.9255039931486642
Energy: 2.0664064656155947
Energy: 1.8754588837354853
Energy: 1.81170472639347
Energy: 1.9327287722018118
Energy: 2.0664064656150174
Energy: 1.8754588837337538
Energy: 1.8117047263911614
Energy: 1.8474496339218907
Energy: 2.0149577769630804
Energy: 1.926321355344787
Energy: 1.9536516363177492
Energy: 1.8474496339172735
Energy: 2.0149577769648115
Energy: 1.9263213553424785
Energy: 2.0664464321670732
Energy: 1.8754774659308349
Energy: 2.000124087998363
Energy: 1.9330649540482465
Energy: 2.066446432161879
Energy: 1.8754774659285263
Energy: 2.000124087998363
Energy: 1.8474825417930838
Energy: 1.9579055439077935
Energy: 1.9234733516004243
Energy: 2.099777912971627
Energy: 1.8474825417907752
Energy: 1.957905543911257
Energy: 1.9234733515969613
Energy: 2.071755936295042
Energy: 1.8756204753556447
Energy: 1.991702330710763
Energy: 1.9328948660420229
Energy: 2.071755936300813
Energy: 1.875620475353336
Energy: 1.9917023307113402
Energy: 1.8473242709733069
Energy: 2.0443372513458815
Energy: 1.9040400630504595
Energy: 2.0442238617133768
Energy: 1.8473242709698436
Energy: 2.0443372513354925
Energy: 1.9040400630487542
Energy: 2.072022575817859
Energy: 1.9328647888404797
Energy: 1.9913797431176736
Energy: 1.8756186481799182
Energy: 2.072022575817282
Energy: 1.9328647888462513
Energy: 1.9913797431170968
Energy: 1.8475027826074515
Energy: 2.100318864779213
Energy: 1.9232294236927199
Energy: 1.957954524854968
Energy: 1.847502782606297
Energy: 2.1003188647763267
Energy: 1.9232294236932972
Energy: 2.066665235158485
Energy: 1.9330638603014938
Energy: 2.043885581600519
Energy: 1.87543696943872
Energy: 2.066665235162525
Energy: 1.9330638602974537
Energy: 2.043885581597056
Energy: 1.847438416882566
Energy: 1.953601395445072
Energy: 1.9262345082297958
Energy: 2.013496987233608
Energy: 1.8474384168837203
Energy: 1.9536013954485347
Energy: 1.9262345082274872
Energy: 2.0664044343549812
Energy: 1.932514951118574
Energy: 1.856530590763731
Energy: 1.8753905444308392
Energy: 2.0664044343544044
Energy: 1.932514951118574
Energy: 1.8565305907683483

minimum gb energy = 1.7437541162616834 eV
minimum distance =  2.33229053432567 Angstroms
sigma value = 113


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

Energy: 1.8631290417860582
Energy: 1.928059770974666
Energy: 1.856504873011351
Energy: 1.9729761264939543
Energy: 1.8631290417860582
Energy: 1.9280597709778873
Energy: 1.8565048730081297
Energy: 2.0066868581229578
Energy: 1.9340448873574205
Energy: 1.7547237308844565
Energy: 1.9198996935024462
Energy: 2.0066868581390636
Energy: 1.9340448873574205
Energy: 1.7547237308908987
Energy: 1.825339104231471
Energy: 1.865704532803564
Energy: 1.7868201871871714
Energy: 1.8859807037734646
Energy: 1.8253391042379132
Energy: 1.8657045328196693
Energy: 1.7868201866688023
Energy: 1.8350919700307737
Energy: 1.8873915668790717
Energy: 1.7679478081761384
Energy: 1.8820869875329642
Energy: 1.835091970024331
Energy: 1.8873915668758505
Energy: 1.767947808189023
Energy: 1.815058797253712
Energy: 1.7853566974158774
Energy: 1.759345676917404
Energy: 1.7804033997231945
Energy: 1.8150587972569332
Energy: 1.7853566974190986
Energy: 1.7593456769238462
Energy: 1.7873777105137234
Energy: 1.8176546685141373
Energy: 1.8690521735040695
Energy: 1.8524898306931312
Energy: 1.787377710510502
Energy: 1.8176546685076949
Energy: 1.8690521735105121
Energy: 1.7985167204472807
Energy: 1.7856420275027756
Energy: 1.7621771969952857
Energy: 1.7772940878192656
Energy: 1.798516720453723
Energy: 1.7856420274834488
Energy: 1.7621771969888433
Energy: 1.776511619880201
Energy: 1.831332438606595
Energy: 1.8377393621989757
Energy: 1.8516991509981708
Energy: 1.7765116198705375
Energy: 1.8313324386033738
Energy: 1.837739362205418
Energy: 1.7848247175887215
Energy: 1.8086713538090173
Energy: 1.932175928191561
Energy: 1.7774754976364444
Energy: 1.7848247175983851
Energy: 1.8086713537929118
Energy: 1.9321759281947823
Energy: 1.7789159664777223
Energy: 1.8295223218981844
Energy: 1.8459682921461895
Energy: 1.8418278705403646
Energy: 1.7789159664841645
Energy: 1.8295223219175114
Energy: 1.8459682921719585
Energy: 1.7853207933118838
Energy: 1.8372967426693947
Energy: 1.8719688121775024
Energy: 1.7960837574773565
Energy: 1.7853207932989992
Energy: 1.837296742672616
Energy: 1.8719688121839446
Energy: 1.8010699044457819
Energy: 1.8399484355802644
Energy: 1.8428958284914836
Energy: 1.8213384519110514
Energy: 1.8010699044683294
Energy: 1.8399484355867068
Energy: 1.8428958284979258
Energy: 1.7843618554295517
Energy: 1.842573462720226
Energy: 1.8476771564046746
Energy: 1.825979013671255
Energy: 1.7843618554134462
Energy: 1.8425734627266683
Energy: 1.8476771564014534
Energy: 1.8312753264846138
Energy: 1.8756919005067556
Energy: 1.845931062145113
Energy: 1.8557205478723076
Energy: 1.8312753264846138
Energy: 1.8756919005067556
Energy: 1.8459310621290075
Energy: 1.7845544633031625
Energy: 1.8133129843062432
Energy: 1.89036008128272
Energy: 1.8612756090624585
Energy: 1.7845544633128259
Energy: 1.8133129843094642
Energy: 1.890360081279499
Energy: 1.831453955916938
Energy: 1.840296895038642
Energy: 1.844477521011647
Energy: 1.809956731833025
Energy: 1.8314539559105545
Energy: 1.8402968950547476
Energy: 1.844477521014868
Energy: 1.8218643494124143
Energy: 1.8411627421274754
Energy: 1.9341028676865426
Energy: 1.8103817266937565
Energy: 1.8218643494220776
Energy: 1.8411627421082075
Energy: 1.9320798075651378
Energy: 1.8007213882786883
Energy: 1.8092783483954382
Energy: 1.8440851802187983
Energy: 1.7889751303196495
Energy: 1.800721388298015
Energy: 1.8092783483889958
Energy: 1.8440851802155773
Energy: 1.8218221791400553
Energy: 1.807550928341483
Energy: 1.8241965880982136
Energy: 1.7838967859976786
Energy: 1.8218221791303921
Energy: 1.807550928335041
Energy: 1.7888372348598034
Energy: 1.7757827007108606
Energy: 1.8180572232489052
Energy: 1.8425065975358372
Energy: 1.8069404123079342
Energy: 1.7757827007205242
Energy: 1.8180572232489052
Energy: 1.842506597532616
Energy: 1.823328629162649
Energy: 1.80452847553302
Energy: 1.8350690919460941
Energy: 1.842278872181978
Energy: 1.8233286291529853
Energy: 1.8045284755201354
Energy: 1.8350690919622
Energy: 1.7760933329240667
Energy: 1.8050593808355302
Energy: 1.767995349897591
Energy: 1.806829505522888
Energy: 1.7760933329305089
Energy: 1.8050593808162034
Energy: 1.7679953498879277
Energy: 1.8231714711299707
Energy: 1.8654899776820502
Energy: 1.8971988927756154
Energy: 1.8184092613554343
Energy: 1.8231714711299707
Energy: 1.8654899776884928
Energy: 1.93870051222891
Energy: 1.7797296214679612
Energy: 1.8363894255237554
Energy: 1.891755652215024
Energy: 1.7548211773932627
Energy: 1.7797296214615193
Energy: 1.8363894255334186
Energy: 1.8917556522214662
Energy: 1.8999635502923444
Energy: 1.914996217256795
Energy: 1.8676620999261737
Energy: 1.93333620231533
Energy: 1.8999635502955652
Energy: 1.9149962172761215
Energy: 1.867662099935837
Energy: 1.8135104187244755
Energy: 1.816173759294848
Energy: 1.9064919990756692
Energy: 1.7579231246023117
Energy: 1.8135104187212543
Energy: 1.816173759294848
Energy: 1.9064919990724485
Energy: 2.081671380624532
Energy: 1.9146689461729698
Energy: 1.8366167636196655
Energy: 1.9513940917494619
Energy: 2.081671380621311
Energy: 1.9146689461665276
Energy: 1.8366167636100024
Energy: 1.858433950343253
Energy: 1.835825373850538
Energy: 1.9152668991324031
Energy: 1.89189304525129
Energy: 1.8584339503400316
Energy: 1.8358253738730859
Energy: 1.915266899125961
Energy: 2.0816537093588794
Energy: 1.9148267226373918
Energy: 1.7820857637861545
Energy: 1.9556101424067232
Energy: 2.081653709349216
Energy: 1.9148267226341709
Energy: 1.7820857637829333
Energy: 1.8133255533204882
Energy: 1.8146944931094662
Energy: 1.9115324010339831
Energy: 1.7561787405310552
Energy: 1.8133255533140462
Energy: 1.8146944931030242
Energy: 1.91153240105331
Energy: 1.900531503744783
Energy: 1.9196942390488567
Energy: 1.863827995811091
Energy: 1.9334375531862995
Energy: 1.900531503748004
Energy: 1.919694239052078
Energy: 1.863827995814312
Energy: 1.837618686022579
Energy: 1.7917132778976144
Energy: 1.817964261608624
Energy: 1.8010600825763576
Energy: 1.8376186860258
Energy: 1.7917132778976144
Energy: 1.8179642616150662
Energy: 1.8555900601388717
Energy: 1.90286151946391
Energy: 1.8741306454585878
Energy: 1.8089028140763856
Energy: 1.8555900601356503
Energy: 1.9028615194735734
Energy: 1.8741306454650297
Energy: 1.850295524999231
Energy: 1.7877544489853752
Energy: 1.8800163207004312
Energy: 1.77205716767925
Energy: 1.850295525021779
Energy: 1.7877544490208077
Energy: 1.8800163207004312
Energy: 1.8530053749175162
Energy: 1.7946644085006618
Energy: 1.9206030402841139
Energy: 1.8166485082368484
Energy: 1.853005374911074
Energy: 1.7946644085006618
Energy: 1.9206030402937773
Energy: 1.8543040895298808
Energy: 1.8052421253741278
Energy: 1.8905275129604038
Energy: 1.8376820635152546
Energy: 1.8543040895169962
Energy: 1.8052421253709063
Energy: 1.8905275129378554
Energy: 1.8525088431034438
Energy: 1.8675467840896354
Energy: 1.8065843830347914
Energy: 1.8100733005556933
Energy: 1.8525088431002228
Energy: 1.8675467840960776
Energy: 1.8065843830637813
Energy: 1.8472219990084309
Energy: 1.7968202846851808
Energy: 1.8494233419431978
Energy: 1.8196185936366458
Energy: 1.8472219990212566
Energy: 1.7968202846722963
Energy: 1.8494233419528612
Energy: 1.9095013759740795
Energy: 1.8666936193661232
Energy: 1.8812228861956124
Energy: 1.803019657855459
Energy: 1.9095013759773007
Energy: 1.866693619359681
Energy: 1.881222886340505
Energy: 1.8532171776022892
Energy: 1.8241776797105622
Energy: 1.8419301295546096
Energy: 1.7942325320665191
Energy: 1.853217177608673
Energy: 1.8241776797105622
Energy: 1.8419301295610522
Energy: 1.9275190042432362
Energy: 1.8035724236507344
Energy: 1.9056452019476497
Energy: 1.80311345405921
Energy: 1.927519004233573
Energy: 1.8035724236442918
Energy: 1.9056452019347652
Energy: 1.8527453685871003
Energy: 1.7685761542767875
Energy: 1.8605731879390905
Energy: 1.8112629780144736
Energy: 1.8527453685709947
Energy: 1.768576154286392
Energy: 1.860573187955196
Energy: 1.8796589786244822
Energy: 1.8045090373873307
Energy: 1.835646750037635
Energy: 1.8252415454537736
Energy: 1.8796589786083764
Energy: 1.804509037396994
Energy: 1.8356467500311926
Energy: 1.8480065550769897
Energy: 1.8303353670779667
Energy: 1.8449174562604829
Energy: 1.8092941787320744
Energy: 1.8480065550930953
Energy: 1.8303353670747455
Energy: 1.8449174562540405
Energy: 1.801229810164081
Energy: 1.8070157852221098
Energy: 1.8364369150655875
Energy: 1.80887559906061
Energy: 1.8012298101801862
Energy: 1.8070157852124464
Energy: 1.8364369150720297

minimum gb energy = 1.7547237308844565 eV
minimum distance =  2.28536981367657 Angstroms
sigma value = 365


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

Energy: 1.7123331801437893
Energy: 1.4660377994589329
Energy: 1.8495302627375898
Energy: 1.4660377994661953
Energy: 1.7123331801474204
Energy: 1.4660377994654692
Energy: 1.7114911055065314
Energy: 1.7123331801466943
Energy: 1.4660377994632905
Energy: 1.9158808634779858
Energy: 1.4660377994589329
Energy: 1.712333180145968
Energy: 1.4660377994618379
Energy: 1.8495595596458592
Energy: 1.7123331801437893
Energy: 1.4660377994582066
Energy: 2.071682928019752
Energy: 1.4660377994618379
Energy: 1.7123331801481467
Energy: 1.4660377994589329
Energy: 1.8439368679852886
Energy: 1.7123331801466943
Energy: 1.4660377994589329
Energy: 1.8495302627361374
Energy: 1.4660377994640166
Energy: 1.712333180145968
Energy: 1.4660377994647427
Energy: 1.7114911055058049
Energy: 1.7123331801466943
Energy: 1.4660377994632905
Energy: 1.8663925332803368
Energy: 1.4660377994603855
Energy: 1.7123331801495993
Energy: 1.4660377994603855
Energy: 1.7114911055108886
Energy: 1.7123331801437893
Energy: 1.4660377994596592
Energy: 1.5582062730851198
Energy: 1.4660377994618379
Energy: 1.7123331801510522
Energy: 1.4660377994567542
Energy: 1.8439368679831099
Energy: 1.7123331801481467
Energy: 1.4660377994596592
Energy: 1.9500339222749024
Energy: 1.4660377994669216
Energy: 1.7123331801474204
Energy: 1.4660377994654692
Energy: 1.8495302627383159
Energy: 1.7123331801495993
Energy: 1.4660377994640166
Energy: 1.8671778093388138
Energy: 1.4660377994589329
Energy: 1.7123331801474204
Energy: 1.4660377994618379
Energy: 1.7114911055072575
Energy: 1.7123331801495993
Energy: 1.4660377994589329
Energy: 1.8801599578185095
Energy: 1.4660377994611116
Energy: 1.7123331801503254
Energy: 1.4660377994589329
Energy: 1.8439368679838357
Energy: 1.7123331801481467
Energy: 1.4660377994582066
Energy: 1.8495302627325059
Energy: 1.4660377994647427
Energy: 1.7123331801474204
Energy: 1.4660377994632905
Energy: 1.8495302627361374
Energy: 1.7123331801445156
Energy: 1.4660377994661953
Energy: 1.8495595596444068
Energy: 1.4660377994596592
Energy: 1.7123331801510522
Energy: 1.4660377994618379
Energy: 1.7114911055094362
Energy: 1.7123331801474204
Energy: 1.4660377994596592
Energy: 1.843936867978752
Energy: 1.4660377994618379
Energy: 1.7123331801517783
Energy: 1.4660377994574805
Energy: 1.843936867981657
Energy: 1.712333180148873
Energy: 1.4660377994603855
Energy: 1.8495302627361374
Energy: 1.4660377994654692
Energy: 1.7123331801445156
Energy: 1.4660377994647427
Energy: 1.8495302627368635
Energy: 1.7123331801423367
Energy: 1.4660377994640166
Energy: 1.7114911055050788
Energy: 1.4660377994574805
Energy: 1.7123331801445156
Energy: 1.4660377994618379
Energy: 1.7114911055072575
Energy: 1.7123331801503254
Energy: 1.4660377994589329
Energy: 1.7114911055094362
Energy: 1.4660377994611116
Energy: 1.7123331801525044
Energy: 1.4660377994589329
Energy: 1.7114911055101625
Energy: 1.7123331801474204
Energy: 1.4660377994582066
Energy: 1.7114911055065314
Energy: 1.4660377994647427
Energy: 1.7123331801466943
Energy: 1.4660377994632905
Energy: 1.7114911055058049
Energy: 1.7123331801437893
Energy: 1.4660377994661953
Energy: 1.7114911055079836
Energy: 1.4660377994582066
Energy: 1.7123331801510522
Energy: 1.4660377994632905
Energy: 1.7114911055108886
Energy: 1.7123331801452417
Energy: 1.4660377994589329
Energy: 1.7114911055079836
Energy: 1.4660377994618379
Energy: 1.7123331801481467
Energy: 1.4660377994560279
Energy: 1.7114911055087099
Energy: 1.7123331801474204
Energy: 1.4660377994582066
Energy: 1.7114911055065314
Energy: 1.4660377994669216
Energy: 1.7123331801474204
Energy: 1.4660377994640166
Energy: 1.7114911055079836
Energy: 1.7123331801452417
Energy: 1.4660377994647427
Energy: 1.7114911055058049
Energy: 1.4660377994582066
Energy: 1.7123331801474204
Energy: 1.4660377994618379
Energy: 1.7114911055058049

minimum gb energy = 1.4660377994560279 eV
minimum distance =  2.40603822780396 Angstroms
sigma value = 23