Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
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=2.8886456936597833
cohesive_energy=4.17898683463013
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: 0.015495397082116539
Energy: 0.40863569117100007
Energy: 0.015495397082116539
Energy: 0.40863569117100007
Energy: 0.015495397082116539
Energy: 0.408635691170198
Energy: 0.015495397082116539
Energy: 0.015981193290111214
Energy: 0.67012951546118
Energy: 0.01598119329051224
Energy: 0.67012951546118
Energy: 0.015981193290111214
Energy: 0.67012951546118
Energy: 0.01598119329051224
Energy: 0.4407803042161027
Energy: 0.9180591099974562
Energy: 0.4407803042157017
Energy: 0.9180591099974562
Energy: 0.4407803042157017
Energy: 0.9180591099966541
Energy: 0.4407803042153007
Energy: 0.015981193290111214
Energy: 0.67012951546118
Energy: 0.01598119329051224
Energy: 0.67012951546118
Energy: 0.015981193290111214
Energy: 0.67012951546118
Energy: 0.015981193290111214
Energy: 0.015495397082116539
Energy: 0.40863569117059906
Energy: 0.015495397082116539
Energy: 0.40863569117059906
Energy: 0.015495397082116539
Energy: 0.40863569117059906
Energy: 0.015495397082116539
Energy: 0.01598119329051224
Energy: 0.6701295154615811
Energy: 0.01598119329051224
Energy: 0.67012951546118
Energy: 0.015981193290111214
Energy: 0.67012951546118
Energy: 0.015981193290111214

minimum gb energy = 0.015495397082116539 eV
minimum distance =  2.49813756632401 Angstroms
sigma value = 5


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

Energy: 1.4853145150748304
Energy: 1.9205775538068661
Energy: 1.4853145150748304
Energy: 1.9205775538068661
Energy: 1.485314515072435
Energy: 1.9205775538068661
Energy: 1.4853145150733933
Energy: 1.5882822428821495
Energy: 1.6817142546014743
Energy: 1.5882822428821495
Energy: 1.6817142546009953
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Energy: 1.6817142546019535
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Energy: 1.3693356140197268
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Energy: 1.3693356140197268
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Energy: 1.3930782182489196
Energy: 1.4141453669780393
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Energy: 1.4141453669775603
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Energy: 1.3576760357185556
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Energy: 1.4464520565652095
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Energy: 1.6925821971853996
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Energy: 1.6925821971863577
Energy: 1.693562160150959
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Energy: 1.4570735031185351
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Energy: 1.791286768294718
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Energy: 1.4055057039232928
Energy: 1.4692723168006094
Energy: 1.4055057039218555
Energy: 1.4692723168001303
Energy: 1.4055057039232928
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Energy: 1.4350308963412306
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Energy: 1.4350308963412306
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Energy: 1.4350308963407516
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Energy: 1.3431047637151836
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Energy: 1.6710465553277902
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Energy: 1.3998844144897797
Energy: 1.4958528585687216
Energy: 1.3998844144893006
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Energy: 1.4958528585677637
Energy: 1.3998844144902587
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Energy: 1.5610291527124025
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Energy: 1.321326063183819
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Energy: 1.5694745093631266
Energy: 1.5404549632970286
Energy: 1.5694745093602525
Energy: 1.4206138154378414
Energy: 1.676664730773393
Energy: 1.4206138154373624
Energy: 1.6766647307738725
Energy: 1.4206138154373624
Energy: 1.676664730773393
Energy: 1.4206138154368835
Energy: 1.4439227048017813
Energy: 1.6752856700286332
Energy: 1.4439227048036976
Energy: 1.6752856700295913
Energy: 1.4439227048017813
Energy: 1.6752856700291126
Energy: 1.4439227048036976
Energy: 1.4354037722377566
Energy: 1.4476919872945762
Energy: 1.4354037722382356
Energy: 1.447691987294097
Energy: 1.4354037722377566
Energy: 1.447691987294097
Energy: 1.4354037722377566
Energy: 1.4037290488883392
Energy: 1.4319018644070596
Energy: 1.4037290488878602
Energy: 1.4319018644065808
Energy: 1.4037290488902552
Energy: 1.4319018644061017
Energy: 1.4037290488888183
Energy: 1.3476275307028716
Energy: 1.4461119369144613
Energy: 1.3476275307033505
Energy: 1.4461119369144613
Energy: 1.3476275307028716
Energy: 1.446111936913982
Energy: 1.3476275307028716
Energy: 1.5026480929019161
Energy: 1.4889482173433268
Energy: 1.502648092902395
Energy: 1.4889482173428479
Energy: 1.5026480929019161
Energy: 1.4889482173433268
Energy: 1.5026480929004788

minimum gb energy = 1.3127860094073878 eV
minimum distance =  2.32127116541086 Angstroms
sigma value = 401


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

Energy: 1.5987483538611906
Energy: 1.6032496947977395
Energy: 1.5182545227512279
Energy: 1.6032496947982833
Energy: 1.5987483538611906
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Energy: 1.4205275420109664
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Energy: 1.380169913038799
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Energy: 1.4203614503610869
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Energy: 1.4203084561199328
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Energy: 1.3958957500782243
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Energy: 1.3321026303904389
Energy: 1.4373553859252999
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Energy: 1.446412500577054
Energy: 1.4184320115492568
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Energy: 1.3801699130382552
Energy: 1.6441986049555852
Energy: 1.3801699130377112
Energy: 1.5749974250453478
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Energy: 1.644198604956129
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Energy: 1.4403405216999317
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Energy: 1.476769630705729
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Energy: 1.4781236953358325
Energy: 1.440340521699388
Energy: 1.519882807826279
Energy: 1.5818602458505007
Energy: 1.5198828078268227
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Energy: 1.5198828078273665
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Energy: 1.5293288664097722
Energy: 1.525340373046943
Energy: 1.5293288664130347
Energy: 1.5253403730474866
Energy: 1.5293288664119473
Energy: 1.5253403730480304
Energy: 1.5293288664108595
Energy: 1.5160906690139642
Energy: 1.5443221356968886
Energy: 1.5165763071845766
Energy: 1.5441581077235296
Energy: 1.5160906690128766
Energy: 1.5443221356963446
Energy: 1.5165763071840328
Energy: 1.5201596538458397
Energy: 1.6035137062127116
Energy: 1.519987726859567
Energy: 1.6030567953995454
Energy: 1.520159653845296
Energy: 1.6035137062121676
Energy: 1.5199877268584794
Energy: 1.428996207098692
Energy: 1.4602355356541667
Energy: 1.4296659496691853
Energy: 1.4602355356547105
Energy: 1.428996207098692
Energy: 1.4602355356541667
Energy: 1.429665949669729
Energy: 1.3595036568981957
Energy: 1.60088835385798
Energy: 1.3588483530809072
Energy: 1.60088835385798
Energy: 1.3595036568987395
Energy: 1.60088835385798
Energy: 1.3588483530809072
Energy: 1.4203614503627182
Energy: 1.4203084561204764
Energy: 1.4203614503616306
Energy: 1.4203084561199328
Energy: 1.4203614503621744
Energy: 1.4203084561210202
Energy: 1.4203614503638058
Energy: 1.3958957500787683
Energy: 1.6064832963877351
Energy: 1.3958957500782243
Energy: 1.6064832963882787
Energy: 1.3958957500787683
Energy: 1.6064832963882787
Energy: 1.395895750079312
Energy: 1.518254522750684
Energy: 1.6032496947977395
Energy: 1.518254522750684
Energy: 1.6032496947971957
Energy: 1.518254522750684
Energy: 1.6032496947971957
Energy: 1.5182545227495965
Energy: 1.3321026303909826
Energy: 1.6063018783154375
Energy: 1.3321026303915264
Energy: 1.6055367473115807
Energy: 1.3321026303915264
Energy: 1.6063018783159817
Energy: 1.3321026303904389

minimum gb energy = 1.332102630389895 eV
minimum distance =  2.30705754327778 Angstroms
sigma value = 311


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

Energy: 1.5623329827908952
Energy: 1.6335884015258433
Energy: 1.4926279622771443
Energy: 1.5426794129178958
Energy: 1.562332982790267
Energy: 1.633588401526471
Energy: 1.4926279622765162
Energy: 1.4848961377138907
Energy: 1.3960487929789573
Energy: 1.4319793972271222
Energy: 1.3759823994374176
Energy: 1.4848961377132628
Energy: 1.3960487929795853
Energy: 1.4319793972271222
Energy: 1.4180773506477833
Energy: 1.3910776285202844
Energy: 1.4123269184564828
Energy: 1.4047764176912054
Energy: 1.4180773506477833
Energy: 1.3910776285202844
Energy: 1.4123269184571106
Energy: 1.6309078620520407
Energy: 1.6122698607389576
Energy: 1.6293444568615116
Energy: 1.6122698607389576
Energy: 1.6309078620520407
Energy: 1.6122698607383297
Energy: 1.6293444568615116
Energy: 1.687657966927657
Energy: 1.5801492049852202
Energy: 1.6774596687300936
Energy: 1.5801492049852202
Energy: 1.687657966927657
Energy: 1.580149204985848
Energy: 1.6774596687294656
Energy: 1.3092280993952738
Energy: 1.5258583726708292
Energy: 1.3092280993952738
Energy: 1.5264279523156583
Energy: 1.3092280993952738
Energy: 1.5258583726708292
Energy: 1.3092280993952738
Energy: 1.3535023214628819
Energy: 1.4876459478651654
Energy: 1.353502321462254
Energy: 1.4844540561479567
Energy: 1.353502321462254
Energy: 1.4876459478651654
Energy: 1.353502321462254
Energy: 1.5899502550263793
Energy: 1.560310679318099
Energy: 1.6859105973640123
Energy: 1.560310679318099
Energy: 1.5899502550263793
Energy: 1.560310679318099
Energy: 1.6859105973640123
Energy: 1.607909241739151
Energy: 1.6236330428966692
Energy: 1.6979249342603946
Energy: 1.6236330428966692
Energy: 1.607909241739151
Energy: 1.6236330428966692
Energy: 1.6979249342610223
Energy: 1.3749721811950912
Energy: 1.5234205309549513
Energy: 1.3734200709182791
Energy: 1.5239493835026647
Energy: 1.3749721811950912
Energy: 1.5234205309549513
Energy: 1.3734200709182791
Energy: 1.340729641046318
Energy: 1.6135957617065144
Energy: 1.3494222571503716
Energy: 1.6149871653701076
Energy: 1.340729641046318
Energy: 1.6135957617058865
Energy: 1.3494222571503716
Energy: 1.6489064015481456
Energy: 1.5579516337803354
Energy: 1.6489064015475177
Energy: 1.5597233103484023
Energy: 1.6489064015475177
Energy: 1.5579516337803354
Energy: 1.6489064015475177
Energy: 1.5752004138379505
Energy: 1.5159498649058785
Energy: 1.5752004138379505
Energy: 1.5159498649052507
Energy: 1.5752004138379505
Energy: 1.5159498649052507
Energy: 1.5752004138379505
Energy: 1.3671775101814354
Energy: 1.3698540301604267
Energy: 1.3671775101814354
Energy: 1.3698540301604267
Energy: 1.3671775101814354
Energy: 1.3698540301610542
Energy: 1.3671775101814354
Energy: 1.4458981824069723
Energy: 1.5013699366779456
Energy: 1.4458981824063444
Energy: 1.5012607084360645
Energy: 1.4458981824069723
Energy: 1.5013699366779456
Energy: 1.4458981824069723
Energy: 1.5516414792057875
Energy: 1.5484680648901168
Energy: 1.5516414792057875
Energy: 1.5484680648901168
Energy: 1.5516414792057875
Energy: 1.5484680648901168
Energy: 1.5516414792057875
Energy: 1.4529352654519454
Energy: 1.3924613427016101
Energy: 1.4526222951511332
Energy: 1.3923227782405398
Energy: 1.4529352654513175
Energy: 1.392461342702238
Energy: 1.4526222951511332
Energy: 1.3751587952762243
Energy: 1.5041131484110122
Energy: 1.3741593766655271
Energy: 1.503954919164212
Energy: 1.3751587952768523
Energy: 1.5041131484110122
Energy: 1.374159376667411
Energy: 1.562858141346243
Energy: 1.637389765542756
Energy: 1.5628605663818784
Energy: 1.6299972691667572
Energy: 1.6443347812696731
Energy: 1.637389765543384
Energy: 1.6084671305709994
Energy: 1.612528290881529
Energy: 1.6266663160877683
Energy: 1.612586649900128
Energy: 1.6220947811418738
Energy: 1.612528290880901
Energy: 1.6266663160877683
Energy: 1.6125866498995285
Energy: 1.3006843143289082
Energy: 1.32802210830167
Energy: 1.3006843143289082
Energy: 1.32802210830167
Energy: 1.3006843143289082
Energy: 1.32802210830167
Energy: 1.3006843143289082
Energy: 1.3635647677799643
Energy: 1.5593879886364077
Energy: 1.3635647677799643
Energy: 1.5471409678198333
Energy: 1.3635647677799643
Energy: 1.5593879886357798
Energy: 1.3635647677799643
Energy: 1.5613323798210814
Energy: 1.6286122059319135
Energy: 1.639633235049234
Energy: 1.5411877606751834
Energy: 1.6118824340526063
Energy: 1.6286122059319135
Energy: 1.581715532393842
Energy: 1.616702947677335
Energy: 1.594839151453225
Energy: 1.5245921822185617
Energy: 1.5372153921236473
Energy: 1.616702947676707
Energy: 1.594839151453225
Energy: 1.5245921822185617
Energy: 1.3834131413699573
Energy: 1.4122910985876609
Energy: 1.3842620349559829
Energy: 1.4011262323730653
Energy: 1.3834131413699573
Energy: 1.4122910985876609
Energy: 1.3842620349559829
Energy: 1.6211643144872379
Energy: 1.5661930445656502
Energy: 1.6128475176611083
Energy: 1.5664134599105186
Energy: 1.6211643144878658
Energy: 1.5661930445656502
Energy: 1.6128475176611083
Energy: 1.6720570097517373
Energy: 1.6074457050571103
Energy: 1.6465532352968155
Energy: 1.6074457050571103
Energy: 1.5808535642695019
Energy: 1.6074457050564823
Energy: 1.5702816658799228
Energy: 1.503213218792455
Energy: 1.599808018903441
Energy: 1.5032132187930827
Energy: 1.6004885692268687
Energy: 1.5032132187930827
Energy: 1.599808018903441
Energy: 1.5032132187930827
Energy: 1.3241813630459847
Energy: 1.3664982483923112
Energy: 1.3241813630466124
Energy: 1.3664982483923112
Energy: 1.3241813630459847
Energy: 1.3664982483923112
Energy: 1.3241813630459847
Energy: 1.5800686202046015
Energy: 1.4677338215790003
Energy: 1.5695193693348632
Energy: 1.5564939668973838
Energy: 1.5800686202046015
Energy: 1.4677338215783724
Energy: 1.5695193693348632
Energy: 1.5939943421042986
Energy: 1.6056686860922926
Energy: 1.7093663004274555
Energy: 1.6056686860922926
Energy: 1.581065225022438
Energy: 1.6056686860922926
Energy: 1.6137174739978657
Energy: 1.407748859207997
Energy: 1.5291394098005153
Energy: 1.4133013583088665
Energy: 1.542521879687641
Energy: 1.407748859207997
Energy: 1.5291394098005153
Energy: 1.4133013583088665
Energy: 1.3592136514518844
Energy: 1.3968841450976823
Energy: 1.3532042065212957
Energy: 1.4000515801598796
Energy: 1.3592136514512565
Energy: 1.3968841450976823
Energy: 1.353204206520668
Energy: 1.6575835814177076
Energy: 1.5908458848093412
Energy: 1.6575835814170794
Energy: 1.6002188672845818
Energy: 1.6575835814177076
Energy: 1.5908458848093412
Energy: 1.6575835814170794
Energy: 1.57471676784295
Energy: 1.5995059308129467
Energy: 1.5701243281427995
Energy: 1.5956855193248431
Energy: 1.57471676784295
Energy: 1.5995059308129467
Energy: 1.5701243281427995
Energy: 1.3604488201309413
Energy: 1.3548002247384199
Energy: 1.3604488201309413
Energy: 1.3548002247378204
Energy: 1.3604488201303133
Energy: 1.3548002247378204
Energy: 1.3604488201309413

minimum gb energy = 1.3006843143289082 eV
minimum distance =  2.30567210448683 Angstroms
sigma value = 39


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

Energy: 1.4438173458685328
Energy: 1.3831208691590917
Energy: 1.4438173458677916
Energy: 1.3831208691590917
Energy: 1.4438173458685328
Energy: 1.3831208691590917
Energy: 1.4438173458685328
Energy: 1.4490514881423062
Energy: 1.3268270968858575
Energy: 1.4490514881423062
Energy: 1.3268270968843756
Energy: 1.4490514881423062
Energy: 1.3268270968851168
Energy: 1.4490514881423062
Energy: 1.5472275973811838
Energy: 1.2644510849716937
Energy: 1.5472275973811838
Energy: 1.2644510849716937
Energy: 1.5472275973797014
Energy: 1.2644510849716937
Energy: 1.5472275973819247
Energy: 1.5450003985435758
Energy: 1.2615617177445124
Energy: 1.545000398544317
Energy: 1.2615617177452536
Energy: 1.5450003985428349
Energy: 1.2615617177437715
Energy: 1.5450003985435758
Energy: 1.4421457681894487
Energy: 1.2566897697570618
Energy: 1.4421457681894487
Energy: 1.2566897697570618
Energy: 1.4421457681887078
Energy: 1.2566897697570618
Energy: 1.4421457681894487
Energy: 1.3770593745730997
Energy: 1.3096411949367535
Energy: 1.3770593745723587
Energy: 1.3096411949367535
Energy: 1.3770593745730997
Energy: 1.3096411949367535
Energy: 1.3770593745730997
Energy: 1.6227399121927348
Energy: 1.2714633775220225
Energy: 1.6252794622190445
Energy: 1.2714633775220225
Energy: 1.6252794622183038
Energy: 1.2714633775212814
Energy: 1.5960407736801419
Energy: 1.530906255763031
Energy: 1.2800015745054396
Energy: 1.5309062557622901
Energy: 1.2800015745054396
Energy: 1.5309062557622901
Energy: 1.2800015745054396
Energy: 1.530906255761549
Energy: 1.5447194658216483
Energy: 1.281132671306702
Energy: 1.5447194658216483
Energy: 1.281132671307443
Energy: 1.5447194658216483
Energy: 1.281132671307443
Energy: 1.5447194658216483
Energy: 1.4409321984230048
Energy: 1.3845567084445332
Energy: 1.4409321984230048
Energy: 1.3845567084445332
Energy: 1.4409321984222636
Energy: 1.3845567084437924
Energy: 1.4409321984222636
Energy: 1.5509896736511015
Energy: 1.354033178270585
Energy: 1.5982342541467198
Energy: 1.3540331782691029
Energy: 1.5756273156560858
Energy: 1.354033178272067
Energy: 1.5756273156568268
Energy: 1.4301243768277792
Energy: 1.2777695072303694
Energy: 1.4301243768277792
Energy: 1.2777695072303694
Energy: 1.430124376827038
Energy: 1.2777695072303694
Energy: 1.430124376827038
Energy: 1.6196488968937053
Energy: 1.3952480071946873
Energy: 1.619648896894446
Energy: 1.3952480071939464
Energy: 1.619648896894446
Energy: 1.3952480071932052
Energy: 1.619648896894446
Energy: 1.5417991209146988
Energy: 1.2714454238532287
Energy: 1.5417991209146988
Energy: 1.2714454238539699
Energy: 1.5417991209132167
Energy: 1.2714454238532287
Energy: 1.5417991209146988
Energy: 1.4338468376143527
Energy: 1.4299873044011644
Energy: 1.479466188487985
Energy: 1.4299873044011644
Energy: 1.4871148993504186
Energy: 1.4299873044019054
Energy: 1.504627694590376
Energy: 1.5417106798234008
Energy: 1.271493428343197
Energy: 1.541710679824883
Energy: 1.271493428342456
Energy: 1.5417106798226599
Energy: 1.271493428342456
Energy: 1.5417106798256242
Energy: 1.6196381255451293
Energy: 1.395838951935934
Energy: 1.6196381255451293
Energy: 1.395838951935193
Energy: 1.6196381255451293
Energy: 1.395838951936675
Energy: 1.6196381255443886
Energy: 1.5482769507648975
Energy: 1.277824874740671
Energy: 1.5482769507656386
Energy: 1.2778248747414123
Energy: 1.5482769507648975
Energy: 1.277824874742153
Energy: 1.5482769507656386
Energy: 1.511222112465148
Energy: 1.355713094178853
Energy: 1.511222112465148
Energy: 1.355713094178112
Energy: 1.511222112465148
Energy: 1.355713094180335
Energy: 1.511222112465148
Energy: 1.441147610494155
Energy: 1.3847879298411059
Energy: 1.441147610494896
Energy: 1.3847879298411059
Energy: 1.441147610495637
Energy: 1.384787929841847
Energy: 1.441147610496378
Energy: 1.5447721306313598
Energy: 1.2445799097955805
Energy: 1.5447721306321007
Energy: 1.2445799097955805
Energy: 1.5447721306321007
Energy: 1.2445799097963215
Energy: 1.5447721306321007
Energy: 1.5310596132316516
Energy: 1.2797989378642187
Energy: 1.5310596132316516
Energy: 1.2797989378642187
Energy: 1.5310596132309107
Energy: 1.2797989378642187
Energy: 1.5310596132316516
Energy: 1.5623648183234957
Energy: 1.2709805619522685
Energy: 1.5623648183234957
Energy: 1.2709805619493044
Energy: 1.5623648183234957
Energy: 1.2709805619478225
Energy: 1.5623648183234957
Energy: 1.3782060167360701
Energy: 1.3095147487310466
Energy: 1.3782060167368109
Energy: 1.3095147487317875
Energy: 1.378206016737552
Energy: 1.3095147487317875
Energy: 1.378206016737552
Energy: 1.442047639103111
Energy: 1.2568844276666886
Energy: 1.44204763910237
Energy: 1.2568844276666886
Energy: 1.442047639103111
Energy: 1.2568844276666886
Energy: 1.442047639103111
Energy: 1.5446614855123615
Energy: 1.261691807478001
Energy: 1.5446614855138434
Energy: 1.261691807478001
Energy: 1.5446614855131025
Energy: 1.261691807478001
Energy: 1.5446614855131025
Energy: 1.547588412436671
Energy: 1.264523210197814
Energy: 1.547588412436671
Energy: 1.264523210197814
Energy: 1.547588412437412
Energy: 1.264523210198555
Energy: 1.5475884124381531
Energy: 1.449772964246993
Energy: 1.3269734573504361
Energy: 1.4497729642477342
Energy: 1.3269734573504361
Energy: 1.449772964246252
Energy: 1.3269734573504361
Energy: 1.449772964246252
Energy: 1.4438173458685328
Energy: 1.3831208691590917
Energy: 1.4438173458677916
Energy: 1.3831208691590917
Energy: 1.4438173458677916
Energy: 1.3831208691590917
Energy: 1.4438173458685328
Energy: 1.4490514881423062
Energy: 1.3268270968858575
Energy: 1.4490514881423062
Energy: 1.3268270968858575
Energy: 1.4490514881423062
Energy: 1.3268270968858575
Energy: 1.4490514881423062

minimum gb energy = 1.2445799097955805 eV
minimum distance =  2.2861181120838 Angstroms
sigma value = 21


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

Energy: 1.2831116022395554
Energy: 1.6640458047848619
Energy: 1.2831116022386557
Energy: 1.6640458047857616
Energy: 1.2831116022395554
Energy: 1.6640458047857616
Energy: 1.2831116022386557
Energy: 1.3213398666158358
Energy: 1.2678929541514612
Energy: 1.3213398666158358
Energy: 1.2678929541514612
Energy: 1.3213398666158358
Energy: 1.2678929541514612
Energy: 1.3213398666158358
Energy: 1.3610415834419578
Energy: 1.6226147208381405
Energy: 1.3610415834419578
Energy: 1.6226147208381405
Energy: 1.3610415834419578
Energy: 1.6226147208381405
Energy: 1.3610415834419578
Energy: 1.2698794993165003
Energy: 1.2965193364157173
Energy: 1.2698794993165003
Energy: 1.2965193364148178
Energy: 1.2698794993165003
Energy: 1.2965193364157173
Energy: 1.2698794993165003
Energy: 1.1790619170035093
Energy: 1.320703270066352
Energy: 1.179061917004409
Energy: 1.3207032700672516
Energy: 1.1790619170035093
Energy: 1.3207032700672516
Energy: 1.179061917004409
Energy: 1.2055400896360577
Energy: 1.3287423749388405
Energy: 1.2055400896360577
Energy: 1.328742374937941
Energy: 1.2055400896360577
Energy: 1.3287423749388405
Energy: 1.2055400896360577
Energy: 1.1268225467901372
Energy: 1.5895652723013403
Energy: 1.1268225467901372
Energy: 1.5895652723004408
Energy: 1.1268225467901372
Energy: 1.5895652722995413
Energy: 1.1268225467892374
Energy: 1.4121965198615698
Energy: 1.2588401095852204
Energy: 1.412196519862469
Energy: 1.2588401095852204
Energy: 1.4121965198615698
Energy: 1.2588401095852204
Energy: 1.412196519862469
Energy: 1.324229980759278
Energy: 1.228370797472054
Energy: 1.324229980759278
Energy: 1.228370797472054
Energy: 1.324229980759278
Energy: 1.228370797472054
Energy: 1.3242299807601774
Energy: 1.2270826829171007
Energy: 1.5596917456677446
Energy: 1.2270826829171007
Energy: 1.5596917456668449
Energy: 1.2270826829171007
Energy: 1.5596917456668449
Energy: 1.2270826829171007
Energy: 1.1703954060649182
Energy: 1.3946297376414551
Energy: 1.1703954060649182
Energy: 1.3946297376414551
Energy: 1.1703954060640187
Energy: 1.3946297376414551
Energy: 1.1703954060640187
Energy: 1.2068938650502907
Energy: 1.3274278755348796
Energy: 1.2068938650493908
Energy: 1.3274278755348796
Energy: 1.2068938650493908
Energy: 1.3274278755348796
Energy: 1.2068938650502907
Energy: 1.2880086134814446
Energy: 1.221063620669644
Energy: 1.2880086134814446
Energy: 1.221063620669644
Energy: 1.2880086134814446
Energy: 1.221063620669644
Energy: 1.288008613482344
Energy: 1.3450283655275417
Energy: 1.6330248675816226
Energy: 1.3450283655257427
Energy: 1.6330248675816226
Energy: 1.3450283655275417
Energy: 1.6330248675825223
Energy: 1.3450283655275417
Energy: 1.2791968300349457
Energy: 1.330395065123875
Energy: 1.2791968300358454
Energy: 1.330395065123875
Energy: 1.2791968300349457
Energy: 1.3303950651229755
Energy: 1.2791968300358454
Energy: 1.356904020040531
Energy: 1.5707797224160014
Energy: 1.356904020040531
Energy: 1.5707797224160014
Energy: 1.356904020040531
Energy: 1.5707797224151019
Energy: 1.3569040200414306
Energy: 1.4114301629195032
Energy: 1.2499976212296662
Energy: 1.4114301629195032
Energy: 1.2499976212296662
Energy: 1.4114301629204027
Energy: 1.2499976212296662
Energy: 1.4114301629195032
Energy: 1.3917695868668842
Energy: 1.6732270762225365
Energy: 1.3917695868668842
Energy: 1.6732270762225365
Energy: 1.3917695868668842
Energy: 1.673227076221637
Energy: 1.3917695868677835
Energy: 1.3643433210366718
Energy: 1.3007093447737805
Energy: 1.3643433210366718
Energy: 1.3007093447737805
Energy: 1.3643433210366718
Energy: 1.3007093447737805
Energy: 1.3643433210375508
Energy: 1.1971746780102985
Energy: 1.30044142015043
Energy: 1.1971746780102985
Energy: 1.3004414201513292
Energy: 1.1971746780102985
Energy: 1.30044142015043
Energy: 1.1971746780102985
Energy: 1.299826757567345
Energy: 1.3833754574784383
Energy: 1.2998267575682447
Energy: 1.3833754574784383
Energy: 1.299826757567345
Energy: 1.3833754574784383
Energy: 1.299826757567345
Energy: 1.1268297688603521
Energy: 1.649072875833199
Energy: 1.1268297688603521
Energy: 1.649072875834099
Energy: 1.1268297688603521
Energy: 1.649072875833199
Energy: 1.1268297688603521
Energy: 1.313805590134245
Energy: 1.276866383004106
Energy: 1.313805590134245
Energy: 1.2768663830050055
Energy: 1.313805590134245
Energy: 1.276866383004106
Energy: 1.3138055901333454
Energy: 1.3410310399509822
Energy: 1.3011536128638854
Energy: 1.3410310399509822
Energy: 1.3011536128629857
Energy: 1.3410310399509822
Energy: 1.3011536128629857
Energy: 1.3410310399509822
Energy: 1.2567814512800741
Energy: 1.3301469251180944
Energy: 1.2567814512800741
Energy: 1.3301469251180944
Energy: 1.2567814512800741
Energy: 1.3301469251180944
Energy: 1.2567814512800741

minimum gb energy = 1.1268225467892374 eV
minimum distance =  2.32446837999911 Angstroms
sigma value = 113


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

Energy: 1.1137029536593475
Energy: 1.495942458218387
Energy: 1.1137029536603515
Energy: 1.495942458219893
Energy: 1.1137029536583434
Energy: 1.4959424582188892
Energy: 1.1137029536598495
Energy: 1.1726246730774503
Energy: 1.1566968570534284
Energy: 1.1726246730759442
Energy: 1.156696857052424
Energy: 1.172624673075442
Energy: 1.156696857051922
Energy: 1.1726246730764462
Energy: 1.2526516284549642
Energy: 1.092000953850503
Energy: 1.2526516284549642
Energy: 1.092000953848495
Energy: 1.2526516284534581
Energy: 1.092000953848495
Energy: 1.252651628454462
Energy: 1.1178601440513083
Energy: 1.128166830036155
Energy: 1.1178601440518103
Energy: 1.128166830035653
Energy: 1.1178601440518103
Energy: 1.128166830035653
Energy: 1.1178601440523124
Energy: 1.0697222896228427
Energy: 1.300971793217596
Energy: 1.0697222896253527
Energy: 1.300971793218098
Energy: 1.0697222896203324
Energy: 1.300971793217596
Energy: 1.0697222896218386
Energy: 1.1067715548134485
Energy: 1.2620626440270737
Energy: 1.1067715548114403
Energy: 1.2620626440290816
Energy: 1.1067715548119423
Energy: 1.2620626440285798
Energy: 1.1067715548114403
Energy: 1.1042512316661244
Energy: 1.2221217207746777
Energy: 1.1042512316656223
Energy: 1.2221217207721673
Energy: 1.1042512316665807
Energy: 1.2221217207721673
Energy: 1.1042512316656223
Energy: 1.1289117288514101
Energy: 1.227744997701576
Energy: 1.1289117288509083
Energy: 1.2277449977005719
Energy: 1.1289117288534183
Energy: 1.2277449977005719
Energy: 1.1289117288534183
Energy: 1.1512451303676652
Energy: 1.244626931913332
Energy: 1.151245130368167
Energy: 1.2446269319128302
Energy: 1.1512451303691713
Energy: 1.244626931913332
Energy: 1.1512451303671631
Energy: 1.125446544977016
Energy: 1.110451729379574
Energy: 1.1254465449760116
Energy: 1.1104517293790719
Energy: 1.1254465449765136
Energy: 1.1104517293800757
Energy: 1.1254465449760116
Energy: 1.1005563841777288
Energy: 1.138566304129173
Energy: 1.1005563841767247
Energy: 1.138566304130679
Energy: 1.1005563841772268
Energy: 1.1385663041301772
Energy: 1.1005563841767247
Energy: 1.0460062636126362
Energy: 1.1620033054607983
Energy: 1.0460062636146443
Energy: 1.1620033054572838
Energy: 1.0460062636151466
Energy: 1.162003305459794
Energy: 1.0460062636131382
Energy: 1.0153548137175985
Energy: 1.2839498214596214
Energy: 1.015354813711574
Energy: 1.2839498214601233
Energy: 1.0153548137191049
Energy: 1.2839498214596214
Energy: 1.0153548137045454
Energy: 1.2287043719693143
Energy: 1.1099854498332724
Energy: 1.2287043719683102
Energy: 1.1099854498337745
Energy: 1.2287043719683102
Energy: 1.1099854498332724
Energy: 1.2287043719683102
Energy: 1.2168766856038669
Energy: 1.0678931982030173
Energy: 1.2168766856033648
Energy: 1.0678931982055277
Energy: 1.2168766856038669
Energy: 1.0678931982030173
Energy: 1.2168766856038669
Energy: 1.0437360729571892
Energy: 1.2663017127226066
Energy: 1.043736072958193
Energy: 1.266301712724615
Energy: 1.043736072958193
Energy: 1.266301712724113
Energy: 1.043736072958695
Energy: 0.999683232312722
Energy: 1.1305742652194102
Energy: 0.9996832323142283
Energy: 1.130574265218406
Energy: 0.9996832323132241
Energy: 1.130574265218406
Energy: 0.9996832323137261
Energy: 1.1370241854649692
Energy: 1.161415184167026
Energy: 1.1370241854634628
Energy: 1.161415184167026
Energy: 1.1370241854629608
Energy: 1.161415184167026
Energy: 1.1370241854644672
Energy: 1.0705665188159275
Energy: 1.0595722674825288
Energy: 1.0705665188159275
Energy: 1.059572267480018
Energy: 1.0705665188154254
Energy: 1.0595722674805206
Energy: 1.0705665188149232
Energy: 1.1377825523128189
Energy: 1.2460814962212035
Energy: 1.137782552313823
Energy: 1.246081496219195
Energy: 1.1377825523128189
Energy: 1.2460814962207012
Energy: 1.137782552313321
Energy: 1.0934560386913514
Energy: 1.114861429388478
Energy: 1.0934560386918535
Energy: 1.114861429388478
Energy: 1.0934560386928578
Energy: 1.11486142938898
Energy: 1.0934560386918535
Energy: 1.1232504106437058
Energy: 1.1321099594171913
Energy: 1.123250410644208
Energy: 1.1321099594121706
Energy: 1.123250410644208
Energy: 1.1321099594217097
Energy: 1.1232504106432037
Energy: 1.0799185921207803
Energy: 1.1512254431271502
Energy: 1.0799185921202785
Energy: 1.1512254431266482
Energy: 1.0799185921197765
Energy: 1.1512254431256441
Energy: 1.0799185921202785
Energy: 1.0455549618831956
Energy: 1.3129764822386032
Energy: 1.0455549618847018
Energy: 1.3129764822386032
Energy: 1.0455549618811875
Energy: 1.3129764822396073
Energy: 1.0455549618836977
Energy: 1.180647863095069
Energy: 1.2047017188291702
Energy: 1.180647863096575
Energy: 1.2047017188276639
Energy: 1.180647863095571
Energy: 1.204701718827162
Energy: 1.1806478630970771
Energy: 1.2424838963324565
Energy: 1.1429901731798398
Energy: 1.2424838963314524
Energy: 1.1429901731813459
Energy: 1.2424838963304483
Energy: 1.142990173183354
Energy: 1.2424838963269338
Energy: 1.2091358202569098
Energy: 1.2183089297087566
Energy: 1.209135820256408
Energy: 1.2183089297097607
Energy: 1.209135820257914
Energy: 1.2183089297092586
Energy: 1.209135820257914
Energy: 1.0894045889580088
Energy: 1.4863698808185652
Energy: 1.0894045889570048
Energy: 1.4863698808190673
Energy: 1.0894045889580088
Energy: 1.4863698808200716
Energy: 1.089404588960519
Energy: 1.2013711585926328
Energy: 1.1864969927353501
Energy: 1.2013711585926328
Energy: 1.1864969927348479
Energy: 1.2013711585926328
Energy: 1.186496992734346
Energy: 1.2013711585926328
Energy: 1.2616611678851395
Energy: 1.1447119899075522
Energy: 1.2616611678851395
Energy: 1.14471198990454
Energy: 1.2616611678851395
Energy: 1.144711989906548
Energy: 1.2616611678841354
Energy: 1.1924048642953253
Energy: 1.23388885427398
Energy: 1.1924048642948233
Energy: 1.233888854271972
Energy: 1.1924048642953253
Energy: 1.2338888542714699
Energy: 1.1924048642953253
Energy: 1.0516660759480305
Energy: 1.2806240275630303
Energy: 1.0516660759485326
Energy: 1.2806240275610223
Energy: 1.0516660759485326
Energy: 1.2806240275620262
Energy: 1.051666075949035
Energy: 1.186529144798781
Energy: 1.1395436548370526
Energy: 1.186529144798781
Energy: 1.139543654838011
Energy: 1.186529144798279
Energy: 1.139543654838513
Energy: 1.186529144798279
Energy: 1.0964372532843822
Energy: 1.2683631832363444
Energy: 1.0964372532843822
Energy: 1.2683631832363444
Energy: 1.0964372532848843
Energy: 1.2683631832388544
Energy: 1.0964372532858886
Energy: 1.1107421258828811
Energy: 1.339064491545287
Energy: 1.1107421258828811
Energy: 1.339064491544785
Energy: 1.1107421258828811
Energy: 1.339064491544785
Energy: 1.1107421258828811
Energy: 1.143968050371332
Energy: 1.2368818583902166
Energy: 1.143968050371332
Energy: 1.2368818583907186
Energy: 1.14396805037083
Energy: 1.2368818583912207
Energy: 1.143968050371332
Energy: 1.2433929986772194
Energy: 1.1126061027889171
Energy: 1.2433929986772194
Energy: 1.112606102788415
Energy: 1.2433929986772194
Energy: 1.1126061027889171
Energy: 1.2433929986767174
Energy: 1.141723339627243
Energy: 1.1185883451545506
Energy: 1.1417233396267412
Energy: 1.1185883451560568
Energy: 1.1417233396257371
Energy: 1.1185883451550527
Energy: 1.1417233396267412
Energy: 1.082498019839064
Energy: 1.194469989854828
Energy: 1.0824980198400682
Energy: 1.194469989854326
Energy: 1.0824980198395662
Energy: 1.19446998985282
Energy: 1.0824980198395662
Energy: 1.0154810077533205
Energy: 1.361345034457377
Energy: 1.0154810077523164
Energy: 1.361345034457879
Energy: 1.0154810077528185
Energy: 1.361345034457377
Energy: 1.0154810077533205
Energy: 1.1790104251525644
Energy: 1.095346638980951
Energy: 1.1790104251545728
Energy: 1.095346638980951
Energy: 1.1790104251535682
Energy: 1.095346638981453
Energy: 1.1790104251545728
Energy: 1.2199488855642704
Energy: 1.065558856055382
Energy: 1.2199488855642704
Energy: 1.065558856055382
Energy: 1.2199488855647722
Energy: 1.065558856055382
Energy: 1.2199488855647722
Energy: 1.0792143375742618
Energy: 1.266142004725858
Energy: 1.0792143375752659
Energy: 1.26614200472636
Energy: 1.0792143375752659
Energy: 1.266142004725858
Energy: 1.0792143375747636
Energy: 1.0035913298187595
Energy: 1.123583480225115
Energy: 1.0035913298192616
Energy: 1.123583480225115
Energy: 1.0035913298187595
Energy: 1.123583480225617
Energy: 1.0035913298192616
Energy: 1.0964155289578787
Energy: 1.1540262892035948
Energy: 1.0964155289578787
Energy: 1.1540262892035948
Energy: 1.0964155289578787
Energy: 1.1540262892035948
Energy: 1.0964155289588828

minimum gb energy = 0.999683232312722 eV
minimum distance =  2.30105467681957 Angstroms
sigma value = 365


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

Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.6163866543109906
Energy: 1.3277507491161713
Energy: 2.697814272064623
Energy: 1.3277507491161713
Energy: 2.1471548292530294
Energy: 1.3277507491161713
Energy: 2.147154829501926
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.616386654312123
Energy: 1.3277507491161713
Energy: 2.616386654312123
Energy: 1.3277507491161713
Energy: 2.6978142718236247
Energy: 1.3277507491161713
Energy: 2.1471548295132443
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.4119431716684074
Energy: 1.3277507491161713
Energy: 2.4119431716650115
Energy: 1.3277507491161713
Energy: 2.147154829187403
Energy: 1.3277507491161713
Energy: 2.1471548290799216
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.147154829339005
Energy: 1.3277507491161713
Energy: 2.4119431716616164
Energy: 1.3277507491161713
Energy: 2.1471548294272695
Energy: 1.3277507491161713
Energy: 2.1471548293491924
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.3410229192159093
Energy: 1.3277507491161713
Energy: 2.341022919217041
Energy: 1.3277507491161713
Energy: 2.411943171659352
Energy: 1.327750749115039
Energy: 2.147154829887759
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.1471548294080267
Energy: 1.327750749115039
Energy: 2.1471548292337865
Energy: 1.327750749115039
Energy: 2.147154829125173
Energy: 1.327750749115039
Energy: 2.147154829210016
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.1471548295811345
Energy: 1.327750749115039
Energy: 2.147154829477049
Energy: 1.327750749115039
Energy: 2.1471548298119454
Energy: 1.327750749115039
Energy: 2.1471548296048795
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928066920865
Energy: 0.3490365570151323
Energy: 2.147154829892261
Energy: 1.327750749115039
Energy: 2.147154829869648
Energy: 1.327750749115039
Energy: 2.1471548295630236
Energy: 1.327750749115039
Energy: 2.147154829659212
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.1471548294396947
Energy: 1.3277507491139071
Energy: 2.1471548296275182
Energy: 1.3277507491139071
Energy: 2.1471548294849723
Energy: 1.3277507491139071
Energy: 2.147154829339005
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 0.44939928067034063
Energy: 0.3490365570151323
Energy: 2.1471548298436143
Energy: 1.327750749115039
Energy: 2.1471548297395278
Energy: 1.327750749115039
Energy: 2.1471548297485836
Energy: 1.327750749115039
Energy: 2.147154829617331

minimum gb energy = 0.3490365570151323 eV
minimum distance =  2.32864111631457 Angstroms
sigma value = 23