Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003
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=3.6111526265740403
cohesive_energy=4.249969078910889
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: 0.02017550940873895
Energy: 1.7780345310760974
Energy: 1.824739075459707
Energy: 1.7797500220579685
Energy: 0.02017550940873895
Energy: 1.778034531077352
Energy: 0.7425980453264349
Energy: 0.7418895540777813
Energy: 0.020807570593397575
Energy: 0.2912921412517418
Energy: 0.020738456337988206
Energy: 0.7418895540752722
Energy: 0.020807570593397575
Energy: 0.2912921412517418
Energy: 0.02017550940873895
Energy: 1.7780345310766108
Energy: 1.824739075459707
Energy: 1.7797500220579685
Energy: 0.02017550940873895
Energy: 1.7780345310770953
Energy: 0.7425980453264349
Energy: 0.7418895540777813
Energy: 0.020807570593397575
Energy: 0.2912921412517418
Energy: 0.02073845634049724
Energy: 0.7418895540752722
Energy: 0.020807570593397575
Energy: 0.2912921412517418
Energy: 0.02017550940873895
Energy: 1.7780345310758408
Energy: 0.7425980453264349
Energy: 1.7797500220579685
Energy: 0.02017550940873895
Energy: 1.7780345310776087
Energy: 0.7425980453264349
Energy: 0.7418895540777813
Energy: 0.020807570593397575
Energy: 0.2912921412517418
Energy: 0.02073845634049724
Energy: 0.7418895540777813
Energy: 0.020807570593397575
Energy: 0.2912921412517418

minimum gb energy = 0.02017550940873895 eV
minimum distance =  2.5320044382171 Angstroms
sigma value = 5


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

Energy: 1.5746993752400529
Energy: 1.5370258008495026
Energy: 1.4875456591005731
Energy: 1.5374324888410775
Energy: 1.5746993752400529
Energy: 1.5370258008556332
Energy: 1.487545659097508
Energy: 1.4294803303765555
Energy: 1.4518653640254726
Energy: 1.5273281300349668
Energy: 1.4723316751415474
Energy: 1.4294803303765555
Energy: 1.4518653640162769
Energy: 1.527328130038032
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Energy: 1.5915930716304747
Energy: 1.4855340130410968
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Energy: 1.4259951464660436
Energy: 1.3778843223671544
Energy: 1.4992742001830013
Energy: 1.481467061415967
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Energy: 1.6114020635776505
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Energy: 1.6784734292548267
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Energy: 1.4693492820511027
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Energy: 1.4693492820511027
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Energy: 1.4064411071519787
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Energy: 1.4064411071611749
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Energy: 1.4911230722490691
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Energy: 1.4880791237793694
Energy: 1.4911230722398736
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Energy: 1.513486569163571
Energy: 1.5676303136482217
Energy: 1.4867697343190154
Energy: 1.4974411317450358
Energy: 1.5134865691574404
Energy: 1.5676303136512872
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Energy: 1.4522826213407019
Energy: 1.4739966480966502
Energy: 1.5010308370741021
Energy: 1.4757499243510745
Energy: 1.4522826213253754
Energy: 1.4739966480966502
Energy: 1.5072895013257155
Energy: 1.4630290574092897
Energy: 1.5448528212765105
Energy: 1.4147279375762676
Energy: 1.5072895013226504
Energy: 1.4630290574000935
Energy: 1.54485282127038
Energy: 1.6433053722537023
Energy: 1.5220731900656452
Energy: 1.5173496056152405
Energy: 1.5648445189326206
Energy: 1.6433053722537023
Energy: 1.5220731900687103
Energy: 1.5173496056121751
Energy: 1.4973747132260635
Energy: 1.5035669820194937
Energy: 1.4890278056752222
Energy: 1.503761066968481
Energy: 1.4973747132321942
Energy: 1.503566982025624
Energy: 1.4890278056782875
Energy: 1.4039118837254994
Energy: 1.4265242551786255
Energy: 1.6714231237775463
Energy: 1.4455121676565186
Energy: 1.4039118837285647
Energy: 1.4265242551786255
Energy: 1.6714231237714157
Energy: 1.4306722528032885
Energy: 1.4693599039238823
Energy: 1.5698635772774736
Energy: 1.5503535687893728
Energy: 1.4306722528002231
Energy: 1.4693599039177516
Energy: 1.5698635772774736
Energy: 1.4016714080337884
Energy: 1.466122002091435
Energy: 1.529451935813938
Energy: 1.4262410959000529
Energy: 1.401671408039919
Energy: 1.466122002091435
Energy: 1.529451935813938

minimum gb energy = 1.3778843223671544 eV
minimum distance =  2.25327271156432 Angstroms
sigma value = 401


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

Energy: 1.4157060103968764
Energy: 1.5221995320876671
Energy: 1.5337314661208301
Energy: 1.521421164246618
Energy: 1.415706010393397
Energy: 1.5221995320841877
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Energy: 1.4091751476819503
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Energy: 1.72008931908349
Energy: 1.4811598150554406
Energy: 1.3910215396792496
Energy: 1.494382024640862
Energy: 1.72008931908349
Energy: 1.4119801048735936
Energy: 1.5048846597221703
Energy: 1.5371087204111071
Energy: 1.44477468421524
Energy: 1.4119801048839689
Energy: 1.5048846597152112
Energy: 1.5371087204041485
Energy: 1.4641082608003249
Energy: 1.490680293699934
Energy: 1.4825104567784981
Energy: 1.5192371314176076
Energy: 1.4641082608003249
Energy: 1.4906802936929748
Energy: 1.4825104567680598
Energy: 1.4727656007650816
Energy: 1.4359113387230287
Energy: 1.5570153840529113
Energy: 1.5151329332837067
Energy: 1.472765600768561
Energy: 1.4359113387265081
Energy: 1.5570153840494318
Energy: 1.437647755707289
Energy: 1.4651976209384698
Energy: 1.585113432171745
Energy: 1.525027864671322
Energy: 1.4376477557038094
Energy: 1.4651976209349906
Energy: 1.5851134321613067
Energy: 1.408431244098781
Energy: 1.4919727267892415
Energy: 1.670352585833857
Energy: 1.5765899269402832
Energy: 1.4084312440918223
Energy: 1.4919727267857619
Energy: 1.6703525858373365
Energy: 1.415706010393397
Energy: 1.5221995320911466
Energy: 1.5643749614027143
Energy: 1.5214211642222621
Energy: 1.415706010393397
Energy: 1.5221995320876671
Energy: 1.5643749614027143
Energy: 1.4091751476784709
Energy: 1.576296887818035
Energy: 1.5906091440785006
Energy: 1.5116712312500353
Energy: 1.4091751476749914
Energy: 1.5762968878249939
Energy: 1.590609144075021

minimum gb energy = 1.3907567050218013 eV
minimum distance =  2.27796823178643 Angstroms
sigma value = 311


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

Energy: 1.6464507610955628
Energy: 1.5611684877927656
Energy: 1.6690190824680613
Energy: 1.5576009716373511
Energy: 1.6464507610967678
Energy: 1.561168487791962
Energy: 1.5632676164437285
Energy: 1.5918216408721342
Energy: 1.4876064881011788
Energy: 1.5090653409648465
Energy: 1.4995611723691984
Energy: 1.5918216408741426
Energy: 1.4876064880995716
Energy: 1.5090653409664534
Energy: 1.6112781373426739
Energy: 1.5543105129212185
Energy: 1.5971617811936574
Energy: 1.5335783222280908
Energy: 1.6112781373426739
Energy: 1.554310512923629
Energy: 1.5410289909864856
Energy: 1.5326813728274962
Energy: 1.5447354956231285
Energy: 1.715187104598573
Energy: 1.4558336812171822
Energy: 1.5326813728246838
Energy: 1.5447354956251371
Energy: 1.7151871045997784
Energy: 1.5872129649543196
Energy: 1.639280733381012
Energy: 1.6710111851669245
Energy: 1.5108557086622276
Energy: 1.5872129649563282
Energy: 1.6392807333818158
Energy: 1.6861934915402113
Energy: 1.5458168773703589
Energy: 1.5156780885591934
Energy: 1.6333109046629821
Energy: 1.4330043910343244
Energy: 1.5458168773675462
Energy: 1.5156780885571843
Energy: 1.6333109046641872
Energy: 1.5522784842983637
Energy: 1.6557731060962548
Energy: 1.6013984657494311
Energy: 1.4914922788383211
Energy: 1.552278484297962
Energy: 1.655773106097862
Energy: 1.5710494975714224
Energy: 1.554919706331569
Energy: 1.564728041591849
Energy: 1.6956380774656703
Energy: 1.4537768232549728
Energy: 1.554919706330364
Energy: 1.5647280415938578
Energy: 1.6956380774672772
Energy: 1.559101972909302
Energy: 1.4485848642630716
Energy: 1.628434981281769
Energy: 1.5378062858805956
Energy: 1.5591019729089002
Energy: 1.4485848642646788
Energy: 1.6739137766864105
Energy: 1.5691802289882888
Energy: 1.5196704823486114
Energy: 1.6486293748612009
Energy: 1.6470987298931805
Energy: 1.5691802289890926
Energy: 1.5196704823478075
Energy: 1.6486293748612009
Energy: 1.5869323169863447
Energy: 1.426133414897768
Energy: 1.631681500825421
Energy: 1.481205693747567
Energy: 1.5869323169839342
Energy: 1.426133414897768
Energy: 1.6316815008246177
Energy: 1.5898419657663763
Energy: 1.5442557529573402
Energy: 1.6214265739955827
Energy: 1.6504242001204692
Energy: 1.589841965765573
Energy: 1.5442557529585454
Energy: 1.6214265739939755
Energy: 1.5930685601177355
Energy: 1.4654950508964681
Energy: 1.6145961101514974
Energy: 1.5327820164916028
Energy: 1.5930685601185388
Energy: 1.4654950508956648
Energy: 1.6145961101498902
Energy: 1.489031320327691
Energy: 1.4891275887483708
Energy: 1.68693965798039
Energy: 1.5424635683880212
Energy: 1.489031320328896
Energy: 1.489127588747969
Energy: 1.686939657979988
Energy: 1.577802498223461
Energy: 1.5336039793092617
Energy: 1.5974419574711907
Energy: 1.4187315527603237
Energy: 1.5778024982246663
Energy: 1.5336039793080565
Energy: 1.597441957470789
Energy: 1.5898874912768095
Energy: 1.6453998084289916
Energy: 1.6085562709999113
Energy: 1.5447043042107014
Energy: 1.589887491274399
Energy: 1.6453998084305985
Energy: 1.6085562709987062
Energy: 1.587077404087896
Energy: 1.4820432932042193
Energy: 1.622371891965308
Energy: 1.4256390709107112
Energy: 1.5870774040882978
Energy: 1.4820432932018084
Energy: 1.6223718919669152
Energy: 1.5674056732395507
Energy: 1.6478482370045957
Energy: 1.6628430809280437
Energy: 1.51949596482593
Energy: 1.5674056732395507
Energy: 1.6478482370074081
Energy: 1.6628430809276422
Energy: 1.5623600853396804
Energy: 1.537862636884304
Energy: 1.6293723449733155
Energy: 1.448661170719271
Energy: 1.562360085338475
Energy: 1.5378626368830985
Energy: 1.6293723449745208
Energy: 1.5550213832403543
Energy: 1.4565375463549275
Energy: 1.6959381798975468
Energy: 1.5648119503506346
Energy: 1.5550213832431665
Energy: 1.4565375463557308
Energy: 1.695938179897949
Energy: 1.5754679423200997
Energy: 1.4913552834288875
Energy: 1.7601048192403002
Energy: 1.6675450294107446
Energy: 1.575467942319698
Energy: 1.4913552834296908
Energy: 1.7601048192407018
Energy: 1.5456311084826329
Energy: 1.432935980206136
Energy: 1.6333018297033675
Energy: 1.517576842836296
Energy: 1.5456311084802223
Energy: 1.4329359802069397
Energy: 1.6333018297033675
Energy: 1.5880127469792784
Energy: 1.519250362885814
Energy: 1.592012993503632
Energy: 1.6272488642481429
Energy: 1.5880127469808856
Energy: 1.5192503628834033
Energy: 1.592012993502427
Energy: 1.5242122982698254
Energy: 1.4568343879171757
Energy: 1.7128092594167152
Energy: 1.544679022937994
Energy: 1.5242122982698254
Energy: 1.4568343879187826
Energy: 1.7128092594179207
Energy: 1.6111813704665114
Energy: 1.533459045809765
Energy: 1.6607049358905945
Energy: 1.5543565562195178
Energy: 1.6111813704681186
Energy: 1.5334590458101667
Energy: 1.6607049358893895
Energy: 1.5919372557270492
Energy: 1.530884406590233
Energy: 1.5134732939751117
Energy: 1.4920655475569675
Energy: 1.5919372557266476
Energy: 1.5308844065898313
Energy: 1.5134732939739064
Energy: 1.6464507610959644
Energy: 1.5611684877931675
Energy: 1.6001582311986113
Energy: 1.557600971639762
Energy: 1.646450761095161
Energy: 1.5611684877907568
Energy: 1.6001582311978082
Energy: 1.5918216408733392
Energy: 1.4876064881015802
Energy: 1.5090653409652481
Energy: 1.4995611723679931
Energy: 1.5918216408733392
Energy: 1.4876064881019821
Energy: 1.5090653409664534
Energy: 1.6112781373438791
Energy: 1.5543105129228254
Energy: 1.5449172916511889
Energy: 1.5335783222276889
Energy: 1.6112781373426739
Energy: 1.5543105129216204
Energy: 1.5449172916487783
Energy: 1.5326813728246838
Energy: 1.5447354956259407
Energy: 1.7151871045981715
Energy: 1.4558336812183872
Energy: 1.5326813728254876
Energy: 1.5447354956271462
Energy: 1.7151871046017872
Energy: 1.5872129649575333
Energy: 1.6392807333826191
Energy: 1.701620619017139
Energy: 1.510855707579136
Energy: 1.5872129649535158
Energy: 1.6392807333806105
Energy: 1.7016206190187462
Energy: 1.54581687736835
Energy: 1.515678088557988
Energy: 1.6333109046625802
Energy: 1.4330043910331192
Energy: 1.545816877369555
Energy: 1.5156780885583896
Energy: 1.6333109046617766
Energy: 1.552278484297962
Energy: 1.6557731060970582
Energy: 1.5928181005452002
Energy: 1.4914922788379195
Energy: 1.552278484295953
Energy: 1.6557731060954513
Energy: 1.5928181005468074
Energy: 1.5549197063287568
Energy: 1.5647280415906437
Energy: 1.6956380774656703
Energy: 1.4537768232553747
Energy: 1.554919706330364
Energy: 1.564728041591849
Energy: 1.6956380774668756
Energy: 1.559101972909302
Energy: 1.4485848642622683
Energy: 1.6284349812789567
Energy: 1.5378062858793902
Energy: 1.5591019729105071
Energy: 1.4485848642642771
Energy: 1.6284349812821708
Energy: 1.5691802289886905
Energy: 1.5196704823490128
Energy: 1.6486293748583887
Energy: 1.6470987298927788
Energy: 1.5691802289890926
Energy: 1.5196704823482095
Energy: 1.6486293748620044

minimum gb energy = 1.4187315527603237 eV
minimum distance =  2.24688412372543 Angstroms
sigma value = 39


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

Energy: 1.4837327707139787
Energy: 1.6057566212609593
Energy: 1.5755061993174286
Energy: 1.6061053981742541
Energy: 1.4837327707130301
Energy: 1.6057566212600112
Energy: 1.5284066702075685
Energy: 1.4979462737635796
Energy: 1.6090131346152194
Energy: 1.3628045711268664
Energy: 1.6106034439508359
Energy: 1.4979462737593119
Energy: 1.6090131346114263
Energy: 1.3628045711292376
Energy: 1.4836406086788232
Energy: 1.4368796839166162
Energy: 1.6434107486193197
Energy: 1.3990398648424067
Energy: 1.4836406086797715
Energy: 1.4368796839175646
Energy: 1.6434107486207423
Energy: 1.4690966889435273
Energy: 1.545160841095332
Energy: 1.3631766419786808
Energy: 1.4096090967725743
Energy: 1.4690966889477948
Energy: 1.5451608410882196
Energy: 1.3631766419753617
Energy: 1.6052622103424903
Energy: 1.5695597497297746
Energy: 1.663319505013985
Energy: 1.4027951171746502
Energy: 1.6052622103410676
Energy: 1.5695597497345164
Energy: 1.6633195050177787
Energy: 1.4717096549071065
Energy: 1.398876513377542
Energy: 1.8070229406863947
Energy: 1.5512921498301238
Energy: 1.4717096549066322
Energy: 1.398876513378016
Energy: 1.8070229406849723
Energy: 1.7267498769825604
Energy: 1.4651245952349266
Energy: 1.513519873378698
Energy: 1.7859929862545048
Energy: 1.72674987698019
Energy: 1.4651245952377718
Energy: 1.3737637664744622
Energy: 1.9700827965812953
Energy: 1.3786022115363548
Energy: 1.8205974443203392
Energy: 1.3915331016959251
Energy: 1.9700827965831917
Energy: 1.3786022115344583
Energy: 1.8205974443246067
Energy: 1.7267778597922747
Energy: 1.8049780051488267
Energy: 1.5272446697691313
Energy: 1.4621698998371515
Energy: 1.7267778597936974
Energy: 1.8049780051521456
Energy: 1.4661413714862304
Energy: 1.4721092859758613
Energy: 1.540394070923582
Energy: 1.8217260470406076
Energy: 1.4144014548279922
Energy: 1.4721092859848273
Energy: 1.5403940709273753
Energy: 1.8217260470434526
Energy: 1.6050455666837362
Energy: 1.3979929967452727
Energy: 1.6690073311545472
Energy: 1.584133397351941
Energy: 1.6050455666799428
Energy: 1.3979929967495401
Energy: 1.669007331154073
Energy: 1.4719487554698272
Energy: 1.4286302140019662
Energy: 1.3625024346859995
Energy: 1.5453591839027967
Energy: 1.4719487554655597
Energy: 1.4286302140033886
Energy: 1.3625024346859995
Energy: 1.4837726637842865
Energy: 1.4013267585055886
Energy: 1.6381628172151514
Energy: 1.4739960473563432
Energy: 1.4837726637904507
Energy: 1.4013267585027436
Energy: 1.6381628172142033
Energy: 1.4978915276945577
Energy: 1.6111374937545189
Energy: 1.3627235176320476
Energy: 1.5902927415254149
Energy: 1.497891527697403
Energy: 1.6111374937554672
Energy: 1.3627235176329526
Energy: 1.4837327707149273
Energy: 1.6057566212619079
Energy: 1.5734090973246122
Energy: 1.606105398173823
Energy: 1.4837327707130301
Energy: 1.6057566212590626
Energy: 1.575506199321696
Energy: 1.4979462737654763
Energy: 1.6090131346147454
Energy: 1.3628045711259182
Energy: 1.6106034439532069
Energy: 1.4979462737631055
Energy: 1.6090131346114263
Energy: 1.362804571128289
Energy: 1.483640608677401
Energy: 1.4368796839170903
Energy: 1.6434107486245357
Energy: 1.3990398648443032
Energy: 1.4836406086797715
Energy: 1.4368796839180389
Energy: 1.643410748628803
Energy: 1.4690966889463721
Energy: 1.5451608410915387
Energy: 1.3631766419772584
Energy: 1.4096090967706774
Energy: 1.4690966889454238
Energy: 1.5451608410910644
Energy: 1.3631766419744131
Energy: 1.6052622103424903
Energy: 1.5695597497302485
Energy: 1.6633195050135108
Energy: 1.4027951171751243
Energy: 1.6052622103434384
Energy: 1.5695597497354643
Energy: 1.663319505013985
Energy: 1.4717096549090032
Energy: 1.3988765133955172
Energy: 1.8070229406873433
Energy: 1.5512921498301238
Energy: 1.4717096549047357
Energy: 1.3988765133959913
Energy: 1.8070229406854466
Energy: 1.7267498769820864
Energy: 1.4651245952335041
Energy: 1.4376686506843555
Energy: 1.7859929862568757
Energy: 1.7267498769797158
Energy: 1.4651245952349266
Energy: 1.4376686506834073
Energy: 1.9700827965812953
Energy: 1.3786022115306649
Energy: 1.8205974443193906
Energy: 1.3915331016935546
Energy: 1.970082796581769
Energy: 1.3786022115349323
Energy: 1.8205974443250807
Energy: 1.7267778597922747
Energy: 1.8049780051507232
Energy: 1.3829274528697781
Energy: 1.4621698998371515
Energy: 1.7267778597946457
Energy: 1.8049780051535682
Energy: 1.3829274528712003
Energy: 1.4721092859796114
Energy: 1.5403940709212114
Energy: 1.8217260470453491
Energy: 1.4144014548289408
Energy: 1.47210928598625
Energy: 1.5403940709212114
Energy: 1.8217260470439267
Energy: 1.6050455666808914
Energy: 1.3979929967481177
Energy: 1.733803868150449
Energy: 1.584133397351941
Energy: 1.6050455666794687
Energy: 1.3979929967485918
Energy: 1.7338038681476042
Energy: 1.4719487554693529
Energy: 1.428630214001492
Energy: 1.3625024346864738
Energy: 1.5453591838980552
Energy: 1.4719487554660338
Energy: 1.4286302140019662
Energy: 1.362502434687896
Energy: 1.4837726637833384
Energy: 1.401326758503692
Energy: 1.810509791106255
Energy: 1.4739960473568174
Energy: 1.4837726637904507
Energy: 1.401326758504166
Energy: 1.810509791106255
Energy: 1.4978915276912388
Energy: 1.6111374937545189
Energy: 1.3627235176334267
Energy: 1.5902927415244665
Energy: 1.4978915276945577
Energy: 1.611137493757364
Energy: 1.3627235176348493
Energy: 1.4837327707130301
Energy: 1.6057566212609593
Energy: 1.528406670203344
Energy: 1.6061053981728746
Energy: 1.4837327707139787
Energy: 1.6057566212609593
Energy: 1.5284066702019214
Energy: 1.4979462737673732
Energy: 1.6090131346137968
Energy: 1.3628045711249699
Energy: 1.6106034439551036
Energy: 1.4979462737635796
Energy: 1.6090131346114263
Energy: 1.3628045711311343

minimum gb energy = 1.3625024346859995 eV
minimum distance =  2.32887192134489 Angstroms
sigma value = 21


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

Energy: 1.5354910690857877
Energy: 1.609674912647026
Energy: 1.600776908857078
Energy: 1.5848236723145683
Energy: 1.535491069085212
Energy: 1.6096749126487264
Energy: 1.5092036643809854
Energy: 1.6784725552523612
Energy: 1.4687701210751027
Energy: 1.6470417557987822
Energy: 1.474846078298925
Energy: 1.678472555252937
Energy: 1.4687701210739514
Energy: 1.6470417557993577
Energy: 1.5031738425308678
Energy: 1.465984064149619
Energy: 1.4433186647628735
Energy: 1.528077166725611
Energy: 1.5031738425297165
Energy: 1.46598406415077
Energy: 1.4433186647611465
Energy: 1.6061032493335081
Energy: 1.4157263104135123
Energy: 1.6659442711411738
Energy: 1.4207770891915685
Energy: 1.6061032493340834
Energy: 1.4157263104163904
Energy: 1.6659442711411738
Energy: 1.4441057353485147
Energy: 1.4637442822069173
Energy: 1.501518997404133
Energy: 1.4249121754933116
Energy: 1.4441057353485147
Energy: 1.4637442822057662
Energy: 1.4485751839679597
Energy: 1.5403961653284064
Energy: 1.4419909223766476
Energy: 1.5301878016972323
Energy: 1.4241954534336136
Energy: 1.540396165327831
Energy: 1.4419909223777987
Energy: 1.530187801712748
Energy: 1.5791976089761468
Energy: 1.4651112199997631
Energy: 1.5312780944103148
Energy: 1.4045251088504513
Energy: 1.5791976089755713
Energy: 1.4651112199997631
Energy: 1.5825207967390194
Energy: 1.5978807241536315
Energy: 1.5747963251915806
Energy: 1.6950435883759514
Energy: 1.4123895986067665
Energy: 1.5978807241536315
Energy: 1.5747963251915806
Energy: 1.6950435883759514
Energy: 1.579474607788393
Energy: 1.4478544935525517
Energy: 1.6625764797963287
Energy: 1.5857024284010754
Energy: 1.5794746077889685
Energy: 1.4478544935525517
Energy: 1.6625764797969043
Energy: 1.5723383491571992
Energy: 1.450933428549021
Energy: 1.4707807428143667
Energy: 1.408031785227297
Energy: 1.572338349157775
Energy: 1.4509334285484452
Energy: 1.4707807428149422
Energy: 1.5377684222773849
Energy: 1.5162691793547487
Energy: 1.7157965984745656
Energy: 1.429537910519055
Energy: 1.537768422278536
Energy: 1.5162691793558998
Energy: 1.7157965984762924
Energy: 1.4038906790545085
Energy: 1.423529238987709
Energy: 1.564431392586613
Energy: 1.3620932449339556
Energy: 1.4038906790556598
Energy: 1.4235292389882845
Energy: 1.564431392586613
Energy: 1.5263192680592452
Energy: 1.3945690895003073
Energy: 1.6215561514927979
Energy: 1.4127414944632457
Energy: 1.5263192680592452
Energy: 1.394569089499156
Energy: 1.6215561514922223
Energy: 1.4081391228252287
Energy: 1.4984706238441308
Energy: 1.568756340486708
Energy: 1.4665466801822449
Energy: 1.4081391228246534
Energy: 1.4984706238441308
Energy: 1.5687563404872835
Energy: 1.6816047745823006
Energy: 1.4898037988581103
Energy: 1.6173328130009104
Energy: 1.4385521975126105
Energy: 1.6816047745823006
Energy: 1.4898037988581103
Energy: 1.6173328130014861
Energy: 1.4468866938816394
Energy: 1.5294713146437304
Energy: 1.4797821795398403
Energy: 1.60166088950775
Energy: 1.4468866938804883
Energy: 1.5294713146437304
Energy: 1.4797821795386892
Energy: 1.6766175838046602
Energy: 1.4311927726985656
Energy: 1.6991667043499972
Energy: 1.408625617537887
Energy: 1.6766175838023578
Energy: 1.4311927726968385
Energy: 1.6991667043511485
Energy: 1.4332327965980085
Energy: 1.4746642175644278
Energy: 1.459361072273467
Energy: 1.4831097961597899
Energy: 1.433232796597433
Energy: 1.474664217563852
Energy: 1.45936107227174
Energy: 1.5645408903526377
Energy: 1.4003582526012186
Energy: 1.6131779660260346
Energy: 1.4963621667266038
Energy: 1.5645408903520621
Energy: 1.4003582526017944
Energy: 1.6131779660248835
Energy: 1.4447755607246493
Energy: 1.5249453153152182
Energy: 1.3771190008149936
Energy: 1.5100854678452207
Energy: 1.4447755607263764
Energy: 1.5249453153152182
Energy: 1.3771190008126912
Energy: 1.5645402746570676
Energy: 1.4923093035380877
Energy: 1.6463107035461761
Energy: 1.3989934293151323
Energy: 1.5645402746587944
Energy: 1.4923093035386634
Energy: 1.6463107035456006
Energy: 1.4330572373494397
Energy: 1.4799540598205714
Energy: 1.4723481337035607
Energy: 1.4707390046990838
Energy: 1.4330572373488641
Energy: 1.4799540598205714
Energy: 1.4723481337018338
Energy: 1.6757289611817738
Energy: 1.4753612020524853
Energy: 1.6557707550791692
Energy: 1.3992050450720706
Energy: 1.675728961181198
Energy: 1.4753612020530609
Energy: 1.6557707550785936
Energy: 1.4466718176103288
Energy: 1.601952397878847
Energy: 1.4908093923382513
Energy: 1.531236799123872
Energy: 1.4466718176126314
Energy: 1.6019523978794226
Energy: 1.490809392338827
Energy: 1.6518632167850953
Energy: 1.4106860065467164
Energy: 1.7539228489171057
Energy: 1.4899586254302037
Energy: 1.6518632167868221
Energy: 1.4106860065449895
Energy: 1.7539228489159544

minimum gb energy = 1.3620932449339556 eV
minimum distance =  2.25278863496015 Angstroms
sigma value = 113


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

Energy: 1.4826745915891608
Energy: 1.5357175065508077
Energy: 1.580727667338267
Energy: 1.5350252279094343
Energy: 1.4826745915891608
Energy: 1.5357175065508077
Energy: 1.6928834473948304
Energy: 1.5465558680683604
Energy: 1.4586360674631293
Energy: 1.6113085040628732
Energy: 1.4665020111573002
Energy: 1.5465558680683604
Energy: 1.4586360674631293
Energy: 1.611308504069298
Energy: 1.4746332747169892
Energy: 1.4192606036681779
Energy: 1.6542712797078767
Energy: 1.4276712884361746
Energy: 1.4746332747234143
Energy: 1.4192606036649653
Energy: 1.654271279711089
Energy: 1.3733186285239483
Energy: 1.4597618276146387
Energy: 1.7411876057449425
Energy: 1.4813295949030998
Energy: 1.3733186285271608
Energy: 1.4597618276146387
Energy: 1.7411876057320927
Energy: 1.5020872037333681
Energy: 1.3557585872442648
Energy: 1.5451566672632786
Energy: 1.3248729728882438
Energy: 1.5020872037333681
Energy: 1.3557585872410522
Energy: 1.5451566672664911
Energy: 1.3979180993947762
Energy: 1.384322902722299
Energy: 1.7282893848967065
Energy: 1.3834045785325806
Energy: 1.3979180993947762
Energy: 1.3843229027255115
Energy: 1.728289384899919
Energy: 1.578617629706635
Energy: 1.357810979222894
Energy: 1.5935321759371435
Energy: 1.3354389767478185
Energy: 1.5786176297034227
Energy: 1.3578109792261066
Energy: 1.5935321759275058
Energy: 1.3857962768872933
Energy: 1.408694199848025
Energy: 1.681098378949623
Energy: 1.3850465249788713
Energy: 1.3857962768808685
Energy: 1.4086941998416
Energy: 1.6810983789528355
Energy: 1.4177384408494416
Energy: 1.3517913196759577
Energy: 1.619323002067754
Energy: 1.3130249937278655
Energy: 1.4177384408687166
Energy: 1.3517913196727451
Energy: 1.6193230020613292
Energy: 1.3966895314913028
Energy: 1.467484253417811
Energy: 1.6686676063077963
Energy: 1.4124597044921603
Energy: 1.3966895314913028
Energy: 1.467484253417811
Energy: 1.6686676063142212
Energy: 1.4826708588496917
Energy: 1.4534496495091
Energy: 1.7360968476153582
Energy: 1.317483442276072
Energy: 1.4826708588432667
Energy: 1.4534496495091
Energy: 1.7360968476185707
Energy: 1.4267226359681089
Energy: 1.3511240905169555
Energy: 1.8236772959474117
Energy: 1.3143821271930418
Energy: 1.4267226359713214
Energy: 1.351124090513743
Energy: 1.8236772959474117
Energy: 1.47176512264063
Energy: 1.3722862378078753
Energy: 1.6800496522317556
Energy: 1.4012100635704556
Energy: 1.4717651226374175
Energy: 1.3722862378143004
Energy: 1.688272869445183
Energy: 1.507423641505197
Energy: 1.4677656703932438
Energy: 1.870051773702927
Energy: 1.367550933010352
Energy: 1.507423641505197
Energy: 1.4677656703900308
Energy: 1.8700517736997144
Energy: 1.4800617532295108
Energy: 1.4115686262673914
Energy: 1.795929086677047
Energy: 1.4733998976224134
Energy: 1.4800617532295108
Energy: 1.4115686262609661
Energy: 1.795929086670622
Energy: 1.5369600926148106
Energy: 1.338561494405495
Energy: 1.7861286086132324
Energy: 1.3667347603992641
Energy: 1.536960092611598
Energy: 1.338561494405495
Energy: 1.7861286086228698
Energy: 1.5699827119055343
Energy: 1.371412551456848
Energy: 1.799028599395081
Energy: 1.3412120542340795
Energy: 1.5699827119087468
Energy: 1.3714125514536355
Energy: 1.7990285993982935
Energy: 1.3513646014301783
Energy: 1.3423236343070954
Energy: 1.7321883360092414
Energy: 1.3438703698946692
Energy: 1.3513646014333909
Energy: 1.3423236343135203
Energy: 1.7321883360156665
Energy: 1.5680517896524508
Energy: 1.4045043521125529
Energy: 1.7462253888616224
Energy: 1.4203823952838943
Energy: 1.5680517896588757
Energy: 1.4045043521157652
Energy: 1.7462253888584098
Energy: 1.4501043864103509
Energy: 1.4406903384378225
Energy: 1.6228596929084191
Energy: 1.2999707825512112
Energy: 1.4501043864135632
Energy: 1.440690338441035
Energy: 1.6228596929148444
Energy: 1.471325884339843
Energy: 1.3769795760986396
Energy: 1.5824379670691457
Energy: 1.4745739646098919
Energy: 1.4713258843366304
Energy: 1.3769795760922148
Energy: 1.5824379670691457
Energy: 1.4049327596952736
Energy: 1.432586614149305
Energy: 1.6195665339732355
Energy: 1.3220879570067536
Energy: 1.4049327596984862
Energy: 1.432586614149305
Energy: 1.6195665339732355
Energy: 1.465821969386395
Energy: 1.3370717122224243
Energy: 1.7466050501951338
Energy: 1.5043853619742173
Energy: 1.465821969386395
Energy: 1.3370717122320617
Energy: 1.7466050501951338
Energy: 1.3341504080543996
Energy: 1.3888933821865517
Energy: 1.62819680972097
Energy: 1.3905522475074499
Energy: 1.3341504080351243
Energy: 1.388893382189764
Energy: 1.62819680972097
Energy: 1.448142237950091
Energy: 1.417089292046473
Energy: 1.6401560570880418
Energy: 1.5727192717481897
Energy: 1.4481422379533033
Energy: 1.417089292046473
Energy: 1.6621354388338432
Energy: 1.4039873192879833
Energy: 1.4505681837052227
Energy: 1.7264555975607048
Energy: 1.453669674146345
Energy: 1.403987319284771
Energy: 1.4505681836987978
Energy: 1.7264555975671299
Energy: 1.680845226385916
Energy: 1.4634548200439734
Energy: 1.5461764153761597
Energy: 1.5427786883801977
Energy: 1.6808452263827034
Energy: 1.4634548200503983
Energy: 1.5461764153793724
Energy: 1.4025522774635248
Energy: 1.5287100121268935
Energy: 1.722359863874117
Energy: 1.5693899680732695
Energy: 1.40255227746995
Energy: 1.5287100121301063
Energy: 1.7223598638773294
Energy: 1.599606735222905
Energy: 1.4473944509661338
Energy: 1.6935319936907651
Energy: 1.599689868091444
Energy: 1.59960673522933
Energy: 1.447394450959709
Energy: 1.6935319936971902
Energy: 1.426556157601558
Energy: 1.4788684666001417
Energy: 1.6506569437264278
Energy: 1.44470919357472
Energy: 1.4265561576047703
Energy: 1.4788684666033542
Energy: 1.6506569437200027
Energy: 1.5259051624006745
Energy: 1.4299425623810438
Energy: 1.782202727300789
Energy: 1.5427392365757508
Energy: 1.5259051624006745
Energy: 1.4299425623810438
Energy: 1.7822027273104264
Energy: 1.4441194247619205
Energy: 1.338107163008082
Energy: 1.5638873937504882
Energy: 1.365650385918536
Energy: 1.4441194247619205
Energy: 1.338107163020932
Energy: 1.5638873937504882
Energy: 1.4946956968006815
Energy: 1.3344241396538898
Energy: 1.731482041130044
Energy: 1.4406957138514558
Energy: 1.494695696810319
Energy: 1.3344241396506775
Energy: 1.7314820411204066
Energy: 1.4446500317660258
Energy: 1.3211409308692161
Energy: 1.4513135813729077
Energy: 1.365736477794083
Energy: 1.4446500317724509
Energy: 1.3211409308724287
Energy: 1.4513135813632703
Energy: 1.4760165828230847
Energy: 1.3457867277286315
Energy: 1.571907465107111
Energy: 1.4351285182122075
Energy: 1.4760165828134473
Energy: 1.3457867277318438
Energy: 1.5719074651038984
Energy: 1.4606731408962428
Energy: 1.3674651819558743
Energy: 1.5017555491971561
Energy: 1.3001834681705746
Energy: 1.4606731408930305
Energy: 1.3674651819526618
Energy: 1.5017555491971561
Energy: 1.4338524977052305
Energy: 1.3274484627855105
Energy: 1.6454113304312548
Energy: 1.4811418377846841
Energy: 1.433852497702018
Energy: 1.3274484627790857
Energy: 1.6454113304441047
Energy: 1.4999185389859653
Energy: 1.3842131907203727
Energy: 1.5793265489442516
Energy: 1.333627077996539
Energy: 1.4999185389859653
Energy: 1.3842131907139479
Energy: 1.5793265489346142
Energy: 1.4803627020028454
Energy: 1.4425834872091123
Energy: 1.8088121618228294
Energy: 1.3877978941814155
Energy: 1.4803627020028454
Energy: 1.4425834872091123
Energy: 1.8088121618196171
Energy: 1.4373051570006017
Energy: 1.401851851319781
Energy: 1.6278363158758409
Energy: 1.3855608970431168
Energy: 1.4373051570134516
Energy: 1.4018518513229936
Energy: 1.6278363158662035
Energy: 1.578516056239206
Energy: 1.4917663815480795
Energy: 1.8303649007176237
Energy: 1.431921314945575
Energy: 1.578516056245631
Energy: 1.491766381551292
Energy: 1.8303649007111986
Energy: 1.4070655565620258
Energy: 1.4355775481754527
Energy: 1.6953552251883666
Energy: 1.477588681280184
Energy: 1.4070655565556007
Energy: 1.4355775481786652
Energy: 1.6953552251883666
Energy: 1.5166712703227594
Energy: 1.4692452909149565
Energy: 1.7326051426104576
Energy: 1.3911730574620609
Energy: 1.5166712703259717
Energy: 1.469245290911744
Energy: 1.732605142616883
Energy: 1.4405857182353927
Energy: 1.3912351100921716
Energy: 1.7675063076645559
Energy: 1.3568411987565863
Energy: 1.4405857182289679
Energy: 1.3912351100953841
Energy: 1.7675063076741935
Energy: 1.3530841413573582
Energy: 1.4751746110782904
Energy: 1.757803647153089
Energy: 1.4069035757640733
Energy: 1.3530841413541452
Energy: 1.4751746110782904
Energy: 1.7578036471498766

minimum gb energy = 1.2999707825512112 eV
minimum distance =  2.23736770235614 Angstroms
sigma value = 365


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

Energy: 1.9534897778854996
Energy: 1.585638466727666
Energy: 1.4423354585710093
Energy: 1.585638466727666
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.4637183605629644
Energy: 1.9534897778854996
Energy: 1.5856384667269414
Energy: 1.5262567442984247
Energy: 1.58563846672839
Energy: 1.9534897778862241
Energy: 1.585638466727666
Energy: 1.6101193114357217
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.4685041160519487
Energy: 1.5856384667269414
Energy: 1.9534897778847753
Energy: 1.585638466727666
Energy: 1.4318998662955364
Energy: 1.9534897778854996
Energy: 1.5856384667269414
Energy: 1.3159859512746481
Energy: 1.58563846672839
Energy: 1.9534897778862241
Energy: 1.585638466727666
Energy: 1.6101193301142684
Energy: 1.9534897778847753
Energy: 1.5856384667269414
Energy: 1.4997717885140183
Energy: 1.5856384667291143
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.4637182100529542
Energy: 1.9534897778847753
Energy: 1.5856384667291143
Energy: 1.4060957684439777
Energy: 1.5856384667269414
Energy: 1.9534897778840514
Energy: 1.5856384667262173
Energy: 1.4318999520481621
Energy: 1.9534897778862241
Energy: 1.5856384667269414
Energy: 1.4428510452616736
Energy: 1.585638466727666
Energy: 1.9534897778862241
Energy: 1.585638466727666
Energy: 1.3686797679568927
Energy: 1.9534897778840514
Energy: 1.5856384667269414
Energy: 1.524682026948662
Energy: 1.5856384667291143
Energy: 1.9534897778854996
Energy: 1.585638466727666
Energy: 1.4637142754627246
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.4318999470295792
Energy: 1.585638466727666
Energy: 1.9534897778854996
Energy: 1.585638466725493
Energy: 1.4318999548984652
Energy: 1.9534897778862241
Energy: 1.5856384667269414
Energy: 1.4057780836125433
Energy: 1.5856384667262173
Energy: 1.9534897778869482
Energy: 1.5856384667269414
Energy: 1.3683892895789116
Energy: 1.9534897778862241
Energy: 1.5856384667269414
Energy: 1.436840119116973
Energy: 1.5856384667269414
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.4637163357730325
Energy: 1.9534897778847753
Energy: 1.5856384667291143
Energy: 1.4319000605574843
Energy: 1.585638466727666
Energy: 1.9534897778862241
Energy: 1.585638466725493
Energy: 1.4319000621806321
Energy: 1.9534897778847753
Energy: 1.5856384667269414
Energy: 1.6101194468378013
Energy: 1.5856384667269414
Energy: 1.9534897778862241
Energy: 1.585638466727666
Energy: 1.3683276218600633
Energy: 1.9534897778847753
Energy: 1.5856384667269414
Energy: 1.61011949182124
Energy: 1.58563846672839
Energy: 1.9534897778854996
Energy: 1.58563846672839
Energy: 1.6101194490669217
Energy: 1.9534897778854996
Energy: 1.5856384667291143
Energy: 1.6101194753761598
Energy: 1.5856384667262173
Energy: 1.9534897778847753
Energy: 1.5856384667262173
Energy: 1.6101194408056316
Energy: 1.9534897778869482
Energy: 1.58563846672839
Energy: 1.6101194868598436
Energy: 1.5856384667269414
Energy: 1.9534897778869482
Energy: 1.5856384667291143
Energy: 1.6101194369418077
Energy: 1.9534897778847753
Energy: 1.5856384667269414
Energy: 1.6101194595609207
Energy: 1.58563846672839
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.6101194641002499
Energy: 1.9534897778847753
Energy: 1.58563846672839
Energy: 1.6101194455418706
Energy: 1.5856384667269414
Energy: 1.9534897778869482
Energy: 1.585638466725493
Energy: 1.6101194842346978
Energy: 1.9534897778862241
Energy: 1.58563846672839
Energy: 1.610119469509788
Energy: 1.5856384667262173
Energy: 1.9534897778854996
Energy: 1.585638466727666
Energy: 1.6101194722891432
Energy: 1.9534897778854996
Energy: 1.5856384667262173
Energy: 1.6101194795831688
Energy: 1.58563846672839
Energy: 1.9534897778862241
Energy: 1.585638466727666
Energy: 1.4318997630893138

minimum gb energy = 1.3159859512746481 eV
minimum distance =  2.26200523744451 Angstroms
sigma value = 23