Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589553117748
cohesive_energy=6.81053564033844
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.01965551292648627
Energy: 0.020482468103625383
Energy: 0.02027650695150032
Energy: 2.7062399076430785
Energy: 0.020276481688121854
Energy: 0.020477399840314884
Energy: 0.01965551292648627
Energy: 0.02048176387857103
Energy: 0.020276513334535
Energy: 2.7416464357326604
Energy: 1.255734133588084
Energy: 0.02016090501762927
Energy: 0.02021089063815093
Energy: 1.2446221611510204
Energy: 0.02021089063815093
Energy: 0.020162421213070277
Energy: 1.255734133588084
Energy: 0.020160501378125955
Energy: 0.02021089063815093
Energy: 1.2446221611510204
Energy: 0.01965551292648627
Energy: 0.02048446711366217
Energy: 0.02027640752676563
Energy: 2.176623944413743
Energy: 0.020276431392226454
Energy: 0.020484707825860496
Energy: 0.01965551292648627
Energy: 0.020483680988274088
Energy: 0.02027641450863531
Energy: 3.025833468049407
Energy: 1.255734133588084
Energy: 0.020160839586949048
Energy: 0.02021089063815093
Energy: 1.2446221611510204
Energy: 0.02021089063815093
Energy: 0.02017030651570482
Energy: 1.255734133588084
Energy: 0.02016096387261559
Energy: 0.02021089063815093
Energy: 1.2446221611510204
Energy: 0.01965551292648627
Energy: 0.02048175763282176
Energy: 0.020276506842790736
Energy: 2.176623944413743
Energy: 0.02027650618671735
Energy: 0.020477347858532023
Energy: 0.01965551292648627
Energy: 0.020481431085930785
Energy: 0.020276544000697318
Energy: 2.7062399076430785
Energy: 1.255734133588084
Energy: 0.02016190279289912
Energy: 0.02021089063815093
Energy: 1.2446221611510204
Energy: 0.02021089063815093
Energy: 0.02016156919354445
Energy: 1.255734133588084
Energy: 0.0201616493050917
Energy: 0.02021089063815093
Energy: 1.2446221611510204
Energy: 0.01965551292648627
Energy: 0.020484611954068907
Energy: 0.020276433125769204
Energy: 2.176623944413743
Energy: 0.020276430780035833
Energy: 0.02048536663329149
Energy: 0.01965551292648627
Energy: 0.0204843263640226
Energy: 0.020276439770105823
Energy: 2.176623944413743

minimum gb energy = 0.01965551292648627 eV
minimum distance =  2.63787495585262 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.302693854447161
Energy: 2.187676880254882
Energy: 2.04005965586973
Energy: 2.139526781240835
Energy: 2.040364871036007
Energy: 2.210334922021443
Energy: 2.302693854440151
Energy: 2.1876768802558173
Energy: 2.0400596558744035
Energy: 2.087158435777779
Energy: 2.1084791209105855
Energy: 1.8894862108803026
Energy: 2.2580939544998335
Energy: 2.299661600684944
Energy: 2.124759211531199
Energy: 1.9110149250886943
Energy: 2.1084791197216908
Energy: 1.8894862108672168
Energy: 2.258093954499366
Energy: 2.29966160071392
Energy: 1.9747669991986292
Energy: 2.0339859292943308
Energy: 2.0414379025260274
Energy: 1.9460619813563527
Energy: 2.0441088851602816
Energy: 1.9891062345544943
Energy: 1.9747670190652746
Energy: 2.081104250675599
Energy: 2.041437902524158
Energy: 1.9460619813558853
Energy: 1.9841538398161371
Energy: 2.0201600041704197
Energy: 1.9736502588747398
Energy: 1.996222580087595
Energy: 2.006036713052872
Energy: 1.9167279256817493
Energy: 1.98415383981567
Energy: 2.0201600041713546
Energy: 1.9736502588780112
Energy: 1.9962225801006808
Energy: 1.960692100265639
Energy: 1.9740108880916025
Energy: 1.997661736651415
Energy: 2.0204466542358914
Energy: 1.9761390338160445
Energy: 1.8481133580040319
Energy: 1.960692100269378
Energy: 1.9740108880916025
Energy: 1.9976617368008818
Energy: 2.0204466542354242
Energy: 1.9756959000920356
Energy: 1.9816447961075847
Energy: 1.9781162540676767
Energy: 1.9145675960435526
Energy: 1.9274841844111787
Energy: 2.0179669781754623
Energy: 2.0336076673531758
Energy: 1.9816447961286154
Energy: 1.9781162540681438
Energy: 1.9145675960454223
Energy: 1.9117274669366338
Energy: 2.0119431872970135
Energy: 2.174985407600317
Energy: 2.0684019519751264
Energy: 1.8482886988837564
Energy: 1.9737911619449477
Energy: 1.9117274669403725
Energy: 2.0119431872984155
Energy: 2.1749854076273802
Energy: 2.0684019519783976
Energy: 2.070360837684424
Energy: 1.9400236122427126
Energy: 1.86521298274021
Energy: 2.0415177073092154
Energy: 2.076902545418791
Energy: 1.9790851367035258
Energy: 2.070360837684424
Energy: 1.9400236127220005
Energy: 1.865212982617807
Energy: 2.04151770731015
Energy: 1.864675597429676
Energy: 2.245939860391045
Energy: 2.2212877436031486
Energy: 2.2872393306895757
Energy: 1.9156962173708805
Energy: 2.054547645005939
Energy: 1.8646755974329474
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Energy: 2.22128774370639
Energy: 2.287239330590073
Energy: 2.149915464493563
Energy: 1.9224481288671404
Energy: 1.9526323783922406
Energy: 2.1361107431766246
Energy: 2.532816030428188
Energy: 2.268652791322812
Energy: 2.2485047035805077
Energy: 1.9224481288629345
Energy: 1.9526323783936428
Energy: 2.136110724582997
Energy: 1.9765869370809537
Energy: 2.121195275341108
Energy: 2.0975618068169286
Energy: 2.0811762932028315
Energy: 1.9231779919326522
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Energy: 1.9765869370823559
Energy: 2.12119527535789
Energy: 2.0975618068141246
Energy: 2.0811762932047007
Energy: 1.9917911153325936
Energy: 1.9995557535957045
Energy: 1.9170170344838895
Energy: 1.977516941777946
Energy: 1.8463835500859553
Energy: 2.049249892516448
Energy: 1.9917911153335284
Energy: 1.999555753595237
Energy: 1.9170170344843565
Energy: 1.9775169418302894
Energy: 1.9217438394470039
Energy: 2.017639668842884
Energy: 1.9349580968187847
Energy: 2.0069362631098215
Energy: 1.9683990647316965
Energy: 1.940911366903906
Energy: 1.9217438392984296
Energy: 2.017639668842884
Energy: 1.9349580954771517
Energy: 2.006936263110289
Energy: 2.0121369026899893
Energy: 1.9349581028266905
Energy: 1.9973610025373016
Energy: 1.9128592323039422
Energy: 1.937586472409286
Energy: 1.9683444209234977
Energy: 2.012136902691859
Energy: 1.9349581033031744
Energy: 1.9973610025377688
Energy: 1.9128592328103367
Energy: 1.9797947897652979
Energy: 1.9171932417314264
Energy: 1.9163309006262217
Energy: 1.9919784574581583
Energy: 2.0484737527873413
Energy: 1.8454366074010933
Energy: 1.9797947897671673
Energy: 1.9171932417314264
Energy: 1.916330900622483
Energy: 1.9919784574586255
Energy: 2.0659033051557034
Energy: 2.1408246629383227
Energy: 2.1187725051769357
Energy: 1.9818916402842939
Energy: 2.3915552140132714
Energy: 1.9230857781203545
Energy: 2.0659033051758
Energy: 2.1408246623698135
Energy: 2.118772503699814
Energy: 1.9818916402842939
Energy: 2.133367486162492
Energy: 1.9602083717708394
Energy: 2.1338891360660783
Energy: 2.221046423870594
Energy: 2.268830840410885
Energy: 2.3732302793086157
Energy: 2.1333674860550444
Energy: 1.960208371767568
Energy: 2.133889136063742
Energy: 2.221046423870594
Energy: 2.2856823787875507
Energy: 2.246714007721355
Energy: 2.2733668749047897
Energy: 1.883175078581318
Energy: 2.106969453846301
Energy: 1.938929944355486
Energy: 2.2856823787880187
Energy: 2.2467139874674467
Energy: 2.2733668749071265
Energy: 1.8831750784864882
Energy: 2.0346633953373203
Energy: 1.8287161114764963
Energy: 2.038446634083805
Energy: 2.070727348132976
Energy: 1.9737527514136828
Energy: 2.0787244524016892
Energy: 2.034663395290628
Energy: 1.8287161114597144
Energy: 2.0384466350596733
Energy: 2.070727348132976
Energy: 2.0827230807227473
Energy: 2.0210729846855493
Energy: 1.9878917984138225
Energy: 1.915549044457921
Energy: 1.9637791580757573
Energy: 1.8487759398368713
Energy: 2.082723080729757
Energy: 2.0210729846874185
Energy: 1.9878917984119533
Energy: 1.915549044459323
Energy: 1.8873548981137445
Energy: 1.9779321627199207
Energy: 1.9695784537209993
Energy: 1.9756959000934373
Energy: 1.921339100352353
Energy: 1.9950580485104932
Energy: 1.8873548997440717
Energy: 1.977932162720388
Energy: 1.9695784537027727
Energy: 1.9756959000929704
Energy: 2.0203248014768262
Energy: 1.9228404013581966
Energy: 1.9620898305447627
Energy: 1.9605768058348756
Energy: 1.8481133556972797
Energy: 1.9908766170717498
Energy: 2.0203248014758914
Energy: 1.9228404026946884
Energy: 1.962089831359438
Energy: 1.960576805835343
Energy: 2.0320087099869575
Energy: 1.9839146691811447
Energy: 2.1490903456797037
Energy: 1.9817500535838846
Energy: 1.9165952261708148
Energy: 1.9983876127727553
Energy: 2.0320087099878923
Energy: 1.983914669119964
Energy: 2.1490903456797037
Energy: 1.981750053588558
Energy: 1.9460619813549505
Energy: 2.0159426758899044
Energy: 2.0449705878619286
Energy: 2.1071988001187707
Energy: 1.9671353183562559
Energy: 1.9142815454568187
Energy: 1.9460619813535487
Energy: 2.015942675882894
Energy: 2.0449705878609943
Energy: 2.1071988001197055
Energy: 2.336852564947964
Energy: 2.2318872314517795
Energy: 1.9282228824529
Energy: 2.1032432003100445
Energy: 1.917756744539288
Energy: 2.1375159087771816
Energy: 2.3368525649503007
Energy: 2.2318872317726783
Energy: 1.928222882324889
Energy: 2.1032432003922983
Energy: 2.087158435777779
Energy: 2.0403648710537663
Energy: 2.210334922034529
Energy: 2.302693854445759
Energy: 2.1876768802539472
Energy: 2.0400596558739363
Energy: 2.0871584357787136
Energy: 2.0403648710701234
Energy: 2.210334922029856
Energy: 2.3026938544378144
Energy: 2.2996616008694626
Energy: 2.1247592113223783
Energy: 1.911014925089162
Energy: 2.1084791158728975
Energy: 1.889486210735042
Energy: 2.2580939544988987
Energy: 2.2996616008362807
Energy: 2.124759211493811
Energy: 1.911014925089162
Energy: 2.108479114512613
Energy: 1.946061981354483
Energy: 2.044108885280815
Energy: 1.9891062345577657
Energy: 1.9747670316883847
Energy: 2.094401290293841
Energy: 2.041437902524625
Energy: 1.9460619813549505
Energy: 2.0441088852887597
Energy: 1.9891062345587005
Energy: 1.9747670530694554
Energy: 1.996222580000243
Energy: 2.006036713053339
Energy: 1.9167279256822167
Energy: 1.9841538398128657
Energy: 2.0201600041722885
Energy: 1.9736502588733378
Energy: 1.996222580027307
Energy: 2.006036713053339
Energy: 1.9167279256817493
Energy: 1.9841538398138006

minimum gb energy = 1.8287161114597144 eV
minimum distance =  2.37327874384041 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.598269674949676
Energy: 2.838139063569194
Energy: 2.256491462966724
Energy: 2.32230893434799
Energy: 2.34322841149031
Energy: 2.838296338867186
Energy: 2.5982697501842003
Energy: 2.8381390635714743
Energy: 2.2564909104171496
Energy: 2.32230893434799
Energy: 1.8562832150656094
Energy: 1.8521673523026867
Energy: 2.245978132008616
Energy: 2.559653330055404
Energy: 2.17562207565977
Energy: 2.0448790908051877
Energy: 1.8562832150610484
Energy: 1.852423321669556
Energy: 2.245978132596719
Energy: 2.4905108047779123
Energy: 2.0221465035312427
Energy: 1.8802749070711593
Energy: 2.011072422274137
Energy: 1.9294082188827022
Energy: 2.0440244949416617
Energy: 2.1242407626466684
Energy: 2.0221465035289623
Energy: 1.880274907114446
Energy: 2.011072422274137
Energy: 1.9294082188849826
Energy: 1.8257540353148933
Energy: 2.1510515725748274
Energy: 1.9881639426323638
Energy: 1.9543731392793386
Energy: 1.9033617527585258
Energy: 1.9773330265452682
Energy: 1.8257540351758283
Energy: 2.1510515725748274
Energy: 1.9881639426278028
Energy: 1.954373139281619
Energy: 1.9094852077336792
Energy: 2.0167459457816777
Energy: 2.1210520885236117
Energy: 2.2340744637269503
Energy: 1.8586004955821855
Energy: 1.8340680456716918
Energy: 1.9094852077336792
Energy: 2.016745945861451
Energy: 2.1210520885236117
Energy: 2.2340744636654204
Energy: 2.462795636237388
Energy: 2.0946672031488696
Energy: 1.9773338927794752
Energy: 2.2459306355508986
Energy: 2.2340620343888498
Energy: 2.2511854097158612
Energy: 2.462795636239669
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Energy: 2.3283450516833843
Energy: 2.404026723151837
Energy: 2.8233131390578223
Energy: 2.2294907879689307
Energy: 1.9241233816007468
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Energy: 2.3283450550660527
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Energy: 2.22949090336912
Energy: 2.1307785480472274
Energy: 2.387350473234104
Energy: 1.8515011665232777
Energy: 2.200442801193181
Energy: 2.482632400966841
Energy: 2.1542706659499604
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Energy: 1.8515011665893688
Energy: 2.200424915699403
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Energy: 2.029478516043938
Energy: 1.9230331104736198
Energy: 1.9870187271973374
Energy: 1.922579662708456
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Energy: 2.076775835011656
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Energy: 1.9230331108269212
Energy: 1.9870187272406654
Energy: 1.9941275294537242
Energy: 2.077449198124447
Energy: 1.983010550314901
Energy: 1.9860093813971735
Energy: 1.8627816187652853
Energy: 1.9002945325305685
Energy: 1.9941275294810892
Energy: 2.077449198129008
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Energy: 1.9860093813994542
Energy: 2.0011318888203293
Energy: 1.9106595835345166
Energy: 2.0074174506334455
Energy: 2.1525850357531633
Energy: 2.1756876166546135
Energy: 1.9049651650224217
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Energy: 2.2945466365890455
Energy: 2.389857602696001
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Energy: 1.8777323399400325
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Energy: 2.728054076081163
Energy: 2.2922212810685427
Energy: 2.201215087832095
Energy: 1.9170683275967493
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Energy: 2.7280540760857237
Energy: 2.2391800372343473
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Energy: 2.1713404887103707
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Energy: 2.0726570234975
Energy: 1.9863381774096016
Energy: 2.2911445307436695
Energy: 1.9994479937878733
Energy: 1.9687521389033946
Energy: 1.9918634519742477
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Energy: 2.1594642971477893
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Energy: 2.2665705458272956
Energy: 2.6069282679656456
Energy: 2.6520304717407015
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Energy: 2.0616101883504485
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Energy: 2.2665705498436335
Energy: 2.606928267961085
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Energy: 2.214290149228877
Energy: 2.1912174399909885
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Energy: 2.237842648983751
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Energy: 2.181521575855507
Energy: 2.192886214621448
Energy: 2.118469035376549
Energy: 1.9917964344693861
Energy: 1.9687521388988338
Energy: 2.3024275344556573
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Energy: 2.192886214619168
Energy: 2.118469035376549
Energy: 1.9917964344853492
Energy: 1.9211790658167636
Energy: 1.7815614041217593
Energy: 2.0296874199936523
Energy: 1.9879991272110236
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Energy: 1.9211790658167636
Energy: 1.78156140412404
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Energy: 1.9879991272087432
Energy: 1.841061627493018
Energy: 1.9092623130220074
Energy: 1.990532014937882
Energy: 2.051331564830143
Energy: 2.04075813435182
Energy: 1.8631392836846044
Energy: 1.8410616283455263
Energy: 1.9092623130220074
Energy: 1.990532014937882
Energy: 2.051331564830143
Energy: 2.23080827696566
Energy: 2.4414945952939155
Energy: 2.0556139015908075
Energy: 1.984451448261987
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Energy: 2.2308082769610986
Energy: 2.4414945952939155
Energy: 2.055361080059176
Energy: 1.984451448261987
Energy: 1.9930627526342357
Energy: 2.145339877608896
Energy: 2.270927112628695
Energy: 2.6195781550648762
Energy: 2.4004229317121593
Energy: 2.008950373198984
Energy: 1.9930627524017146
Energy: 2.1453398920102806
Energy: 2.270927112088481
Energy: 2.61957815537261
Energy: 2.3202572958768948
Energy: 2.1192745339121246
Energy: 2.243919284178827
Energy: 2.1978120720217436
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minimum gb energy = 1.7815614041171985 eV
minimum distance =  2.21782334287526 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.9799288864037747
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Energy: 1.8653009487311034
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Energy: 1.8653009487308227
Energy: 2.559582167823068
Energy: 2.213331653657566
Energy: 1.9653964411433187
Energy: 1.9101414179063494
Energy: 2.0512558736824276
Energy: 2.0498885499401154
Energy: 2.559582167823068
Energy: 2.2337641836961306
Energy: 1.9653964166042148
Energy: 1.9101414179063494
Energy: 2.2014380513825804
Energy: 2.227122375661107
Energy: 2.4640106792357765
Energy: 2.3857162869331843
Energy: 2.2981794214107008
Energy: 2.313047082987889
Energy: 2.2014380506741125
Energy: 2.2271227602435144
Energy: 2.4640106770869856
Energy: 2.3857162869329507
Energy: 2.4564555810651028
Energy: 2.045132166731858
Energy: 2.0265461303529677
Energy: 2.2557304075517215
Energy: 2.095198574135567
Energy: 2.129744420379945
Energy: 2.4564555810679565
Energy: 2.0451321667323716
Energy: 2.0265461303442205
Energy: 2.255730407741211
Energy: 2.077210419572071
Energy: 2.0512815245915763
Energy: 1.9448063302700997
Energy: 1.8637327061430935
Energy: 2.0516119437003075
Energy: 1.9004406228323913
Energy: 2.077210419570247
Energy: 2.0512815245656153
Energy: 1.9448063302677612
Energy: 1.8637327061446374
Energy: 1.8740599623425842
Energy: 1.992875226253883
Energy: 2.013316136190494
Energy: 1.7964261808258808
Energy: 1.8578193992559868
Energy: 1.8702875961938519
Energy: 1.8740599623433796
Energy: 1.9928752262546314
Energy: 2.013316136191289
Energy: 1.7964261812795135
Energy: 1.9602692329326696
Energy: 1.9744846232945963
Energy: 2.04727154448788
Energy: 2.0060223310024425
Energy: 2.071437465963326
Energy: 1.9957155398328241
Energy: 1.9598170924308511
Energy: 1.9744846230330722
Energy: 2.0472715444876464
Energy: 2.006022331003238

minimum gb energy = 1.5908024043069593 eV
minimum distance =  2.28710547992558 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.13295833190119
Energy: 2.4467646058333643
Energy: 1.9744361625521567
Energy: 2.4189197986647804
Energy: 1.94236871893676
Energy: 2.4465900660229796
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Energy: 2.4467646058324815
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Energy: 2.3325771080051725
Energy: 1.9371561734354565
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Energy: 1.9451948634105887
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Energy: 1.7998859379829488
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Energy: 2.0676632490154323
Energy: 2.3583963590581836
Energy: 1.7356264803639228
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Energy: 1.7356264803550907
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Energy: 1.9932609280142461
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Energy: 1.9932609342239582
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Energy: 1.985854143587295
Energy: 1.9725869867269177
Energy: 1.7268469310930556
Energy: 2.074395379716195
Energy: 1.8448001452144216
Energy: 1.781088436264726
Energy: 1.7466637999546448
Energy: 1.7678969649082898
Energy: 1.72684693108599
Energy: 2.0743953796031844
Energy: 1.8448001452153047
Energy: 1.781088436264726
Energy: 1.812344616438625
Energy: 1.9451948634105887
Energy: 1.9725400887721587
Energy: 1.7262719941264995
Energy: 1.9151452098865331
Energy: 1.946778553620228
Energy: 1.8123446164395083
Energy: 1.945194863411472
Energy: 1.9725400887730418
Energy: 1.7262719941264995
Energy: 1.9271289241805307
Energy: 1.928568984133134
Energy: 1.9899881912345192
Energy: 1.8288461444675403
Energy: 1.8012332914543738
Energy: 1.7295312849675712
Energy: 1.9271289241805307
Energy: 1.928568984133134
Energy: 1.9899881912424677
Energy: 1.828846144465774
Energy: 2.1450934694942565
Energy: 1.94236871893676
Energy: 2.446590066023863
Energy: 2.13295833190119
Energy: 2.4467646058333643
Energy: 1.9744361625521567
Energy: 2.1450934694942565
Energy: 1.94236871893676
Energy: 2.446590066023863
Energy: 2.1329583319020733

minimum gb energy = 1.7048809248718357 eV
minimum distance =  2.17160946475533 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.437126025593849
Energy: 2.0990810732205554
Energy: 1.6682497756481987
Energy: 2.5115067081780125
Energy: 1.625141889022772
Energy: 2.0973740451394525
Energy: 2.437126025593475
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Energy: 1.6556660819896036
Energy: 1.7466172288330672
Energy: 1.6338716204373807
Energy: 1.7920337313116803
Energy: 1.6579171437667373
Energy: 1.9496377300017345
Energy: 1.6556660819896036
Energy: 1.7466172288330672
Energy: 1.7198028069280846
Energy: 1.7170050059433914
Energy: 1.8200631149358588
Energy: 1.727887335400281
Energy: 1.625360481275946
Energy: 1.8202623399724283
Energy: 1.7198028069280846
Energy: 1.7170050059433914
Energy: 1.820063114932432
Energy: 1.7278873354037079
Energy: 2.225824786242359
Energy: 2.036218538256318
Energy: 1.9714216916654863
Energy: 1.6437993301758114
Energy: 1.7104502072357997
Energy: 1.6275477699536895
Energy: 2.225824786242359
Energy: 2.0362185382159446
Energy: 1.9714216916517793
Energy: 1.643799329816125
Energy: 2.073117841205882
Energy: 2.431843747023103
Energy: 2.0949261788492137
Energy: 1.654293671296214
Energy: 1.9388669758516666
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Energy: 2.073117841205882
Energy: 2.4318437470251593
Energy: 2.094926178847905
Energy: 1.654293671296214
Energy: 1.7896059831676627
Energy: 1.9589459999207328
Energy: 1.9192545075897056
Energy: 1.6364589140845947
Energy: 1.7268078243766514
Energy: 1.624618837776551
Energy: 1.7896059831676627
Energy: 1.9589460019351146
Energy: 1.9192545075897056
Energy: 1.6364589140845947
Energy: 1.8200053196055233
Energy: 1.719237572135506
Energy: 1.7208260330912823
Energy: 1.8200053196055233
Energy: 1.6423567028749186
Energy: 1.7109454538783415
Energy: 1.8200053196055233
Energy: 1.719237572135506
Energy: 1.7208260330878558
Energy: 1.8200053196055233
Energy: 1.6414861986515217
Energy: 1.9088466829354105
Energy: 1.900788178201992
Energy: 1.7946154505216951
Energy: 1.629860580117398
Energy: 1.7303950919274989
Energy: 1.6414861986549485
Energy: 1.9088466831546618
Energy: 1.900788178109469
Energy: 1.7946154505216951
Energy: 1.6663325342106554
Energy: 2.0948572003930748
Energy: 2.437869624923811
Energy: 2.071431753423038
Energy: 1.6326376401336038
Energy: 1.9541053586510775
Energy: 1.6663325342140825
Energy: 2.0948572003930748
Energy: 2.437869624925867
Energy: 2.0714317534240974
Energy: 1.6667374116777884
Energy: 1.9714216915901597
Energy: 2.305163479189364
Energy: 2.240360942206192
Energy: 1.6233543964509465
Energy: 1.710463031987127
Energy: 1.6667374116777884
Energy: 1.9714216916038667
Energy: 2.305163479195533
Energy: 2.240360942206192
Energy: 1.6372086871464229
Energy: 1.8200631149358588
Energy: 1.7200545254475432
Energy: 1.7200002168965094
Energy: 1.8202623399724283
Energy: 1.6259161579316366
Energy: 1.6372086931200358
Energy: 1.820063114932432
Energy: 1.7200545254475432
Energy: 1.7200002168965094
Energy: 1.7397231312205084
Energy: 1.6638126961147903
Energy: 1.8875133753754698
Energy: 1.6635458059621397
Energy: 1.7928258811684867
Energy: 1.629856361173488
Energy: 1.7397231315321575
Energy: 1.6638126961147903
Energy: 1.8875133753754698
Energy: 1.6635458059655663
Energy: 1.834829754570384
Energy: 1.6424553744796837
Energy: 2.100746785771206
Energy: 2.155943690245199
Energy: 2.0530059709489663
Energy: 2.064434948917205
Energy: 1.834829754570384
Energy: 1.642455374476257
Energy: 2.1007467857701463
Energy: 2.155943690242457
Energy: 1.7177125584490291
Energy: 1.6252807869050798
Energy: 1.9694557048232038
Energy: 2.157538291824358
Energy: 2.0614646382271475
Energy: 1.6073749621452265
Energy: 1.7177125584490291
Energy: 1.625280786901653
Energy: 1.9694557048232038
Energy: 2.1575382918239843

minimum gb energy = 1.6006156273773442 eV
minimum distance =  2.02430396723948 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 2.2379814476791373
Energy: 2.3644178587897393
Energy: 1.9406754401932933
Energy: 2.265554921228726
Energy: 1.9430794436662269
Energy: 2.418924166552237
Energy: 2.237981447678324
Energy: 2.364417855490642
Energy: 1.9406754401932933
Energy: 2.2655549212307604
Energy: 2.029131093248296
Energy: 1.870980552258511
Energy: 1.7471995342423459
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Energy: 1.7207713071355242
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Energy: 2.0291310929905113
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Energy: 2.2335407895768262
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Energy: 2.1001906956471386
Energy: 1.9330420166986109
Energy: 1.6812390782043545
Energy: 2.2543770057139603
Energy: 2.233540789576013
Energy: 1.6967394317706632
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Energy: 1.9330420166990174
Energy: 1.8599864700788407
Energy: 1.7757855354515095
Energy: 1.9032483528113395
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Energy: 2.397120343161825
Energy: 1.749349449571104
Energy: 1.9673479034219727
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Energy: 1.995193156787271
Energy: 2.397120343161825
Energy: 1.7493494495706974
Energy: 1.9673479034264474
Energy: 1.8706807847732696
Energy: 1.8993065517705503
Energy: 1.948670016894279
Energy: 1.9448484081714357
Energy: 1.6845606477237065
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Energy: 1.6845606477228932
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Energy: 2.0261509099991564
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Energy: 2.267296089256006
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Energy: 2.02615090999875
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Energy: 2.277988398604567
Energy: 2.008247091164927
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Energy: 1.728088756752187
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Energy: 1.9811533425545658
Energy: 2.3999690896400887
Energy: 1.7280887566977163
Energy: 1.824913912496452
Energy: 1.741409848500606
Energy: 2.1500612273022535
Energy: 1.9467273157196443
Energy: 2.028478246015334
Energy: 1.7351203801242017
Energy: 2.23148848104501
Energy: 2.23284163642532
Energy: 1.7631083861883525
Energy: 1.9467273156183942
Energy: 2.0284782460185884
Energy: 1.7351203801258288
Energy: 2.2314884810962643
Energy: 1.8961923054105159
Energy: 1.749907728115261
Energy: 1.9900021972597834
Energy: 2.079333265706085
Energy: 1.9203761832477961
Energy: 1.7217008374906047
Energy: 1.8961923054113294
Energy: 1.749907728116888
Energy: 1.9900021972711361
Energy: 2.079333265704051
Energy: 2.165918915707749
Energy: 1.9405380842455384
Energy: 2.482937646361839
Energy: 2.1191444236306562
Energy: 2.3987901591873584
Energy: 1.9406754401932933
Energy: 2.17488925276806
Energy: 1.9405380842467588
Energy: 2.4829376463337716
Energy: 2.11914442363147
Energy: 1.7951251356672733
Energy: 1.7207713071347106
Energy: 1.9203758982401813
Energy: 1.9591368908894318
Energy: 1.8709805525354142
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Energy: 1.7207713071343038
Energy: 1.9203758912801039
Energy: 1.9591368825286044
Energy: 1.929415269466298
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Energy: 2.232824866783691
Energy: 2.233540789577233
Energy: 1.7161626930733855
Energy: 2.0284782459710327
Energy: 1.929415269465078
Energy: 1.6812390782360458
Energy: 2.2328248667828774
Energy: 2.2335407895768262
Energy: 1.7264262470035
Energy: 2.5215835776270765
Energy: 1.9388279230434782
Energy: 1.8645000374117424
Energy: 1.838173030760076
Energy: 1.9052016152322426
Energy: 1.7264262470039067
Energy: 2.5215835776278905
Energy: 1.9388279230422578
Energy: 1.8645000366290692
Energy: 1.8706807847631002
Energy: 1.9084458774846929
Energy: 1.9948823820046384
Energy: 2.397120343161825
Energy: 1.7493494495719175
Energy: 1.9673479034219727
Energy: 1.870680784756185
Energy: 1.9084458436311684
Energy: 1.9948823820026413
Energy: 2.3971203431610113
Energy: 1.6845606477233002
Energy: 2.241941855573485
Energy: 1.914265932212039
Energy: 1.9901592171591558
Energy: 1.9486700168938724
Energy: 1.9736421465073586
Energy: 1.6845606477224864
Energy: 2.241941855570638
Energy: 1.9142659322124456
Energy: 1.9901592171587488
Energy: 1.7962423098662899
Energy: 1.9170946613923363
Energy: 2.267296089256006
Energy: 1.682107741381298
Energy: 1.9946314936016742
Energy: 1.942156180396008
Energy: 1.796242309896761
Energy: 1.9170946613923363
Energy: 2.267296089257227
Energy: 1.6821077413804844
Energy: 2.488687492330868
Energy: 2.021683465030961
Energy: 1.9400525046831933
Energy: 2.2779883986090415
Energy: 1.9869174383773933
Energy: 1.728685478710212
Energy: 2.4886874923324953
Energy: 2.0216834650313684
Energy: 1.9400525037943888
Energy: 2.2779883986131093
Energy: 2.1500612273018462
Energy: 1.9811533425549726
Energy: 2.3999690896425294
Energy: 1.7280887566371066
Energy: 1.824913912496859
Energy: 1.741409847378386
Energy: 2.15006122730266
Energy: 1.981153342555786
Energy: 2.399969089641716
Energy: 1.7280887566139573
Energy: 2.233237053149847
Energy: 2.2328416364314214
Energy: 1.683073387781705
Energy: 1.9467273145144794
Energy: 2.1001906956455114
Energy: 1.7351203801258288
Energy: 2.2332370531506607
Energy: 2.2328416364293875
Energy: 1.6830733778611893
Energy: 1.946727314268898
Energy: 2.1305126289056355
Energy: 1.942415457144792
Energy: 1.7035378810956774
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Energy: 1.942415457135843
Energy: 1.7035378810940505
Energy: 1.7957832127608702
Energy: 2.2379814476799513
Energy: 2.364418060278274
Energy: 1.9406754401937003
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Energy: 1.94307944366582
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Energy: 2.237981447678324
Energy: 2.3644180864983593
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Energy: 2.1587445351564347
Energy: 2.029131095743975
Energy: 1.8709805526886947
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Energy: 1.7951251356656464
Energy: 1.7207713071347106
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Energy: 2.029131095500021
Energy: 1.8709805526817795
Energy: 1.7471995342427526
Energy: 1.7951251356636493
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Energy: 2.1001906956471386
Energy: 1.933042016700238
Energy: 1.6812390780238202
Energy: 2.254377005713554
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Energy: 1.6967394318056457
Energy: 2.100190695646325
Energy: 1.9330420166994244
Energy: 1.859986469762924
Energy: 1.77578553536409
Energy: 1.903248352808492
Energy: 1.7288580159874642
Energy: 2.4258698860633467
Energy: 1.9394560508700511
Energy: 1.859986469782449
Energy: 1.775785535331141
Energy: 1.9032483528093054
Energy: 1.7288580159858373
Energy: 2.3971203431626384
Energy: 1.7493494495727309
Energy: 1.9673479034423116
Energy: 1.8706807849594989
Energy: 1.9356821855349218
Energy: 1.995193156787271
Energy: 2.397120343161418
Energy: 1.7493494495723243
Energy: 1.9673479034419048
Energy: 1.8706807849525837
Energy: 1.7176663270886603
Energy: 1.9486700168971265
Energy: 1.981682944913591
Energy: 1.6845606477237065
Energy: 2.266006821350048
Energy: 1.9225342820686595
Energy: 1.7176663303528124
Energy: 1.9486700168950926
Energy: 1.9816829449127777
Energy: 1.6845606477224864
Energy: 1.681488085823553
Energy: 2.026150909995089
Energy: 1.9406163517049915
Energy: 1.7962423089376214
Energy: 1.9170946613943705
Energy: 2.26729608925682
Energy: 1.6814880858223327
Energy: 2.0261509099938686
Energy: 1.9406163517049915
Energy: 1.7962423089644683
Energy: 2.2779883985927705
Energy: 2.0082470905794287
Energy: 1.7269373764469873
Energy: 2.4886874923341225
Energy: 2.021683465030961
Energy: 1.9400525089906875
Energy: 2.277988398595618
Energy: 2.008247090801824
Energy: 1.7269373764445466
Energy: 2.4886874923337152
Energy: 1.7280887575304227
Energy: 1.8249139124976725
Energy: 1.7414099412802637
Energy: 2.1500612273018462
Energy: 1.9811533425553791
Energy: 2.399969089643343
Energy: 1.7280887574621213
Energy: 1.824913912498079
Energy: 1.7414099371655443
Energy: 2.1500612273022535
Energy: 1.9467273162104006
Energy: 2.028478246060486
Energy: 1.7351203801237949
Energy: 2.2314884808120388
Energy: 2.2328416364314214
Energy: 1.7631083982987628
Energy: 1.9467273162059262
Energy: 2.028478246060079
Energy: 1.7351203801266424
Energy: 2.2314884808713913
Energy: 1.8961923054097023
Energy: 1.7499077281185151
Energy: 1.9900021971699229
Energy: 2.0793332657186947
Energy: 1.9203763956440538
Energy: 1.7217008374901979
Energy: 1.8961923054105159
Energy: 1.7499077281213624
Energy: 1.9900021971564994
Energy: 2.0793332657203223

minimum gb energy = 1.6812390780238202 eV
minimum distance =  2.1609875588272 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.1232271223884167
Energy: 2.18291414565148
Energy: 1.9777930448096
Energy: 2.39350774548715
Energy: 1.9768981441337297
Energy: 2.189062048622287
Energy: 2.123227122386184
Energy: 2.1829141459349595
Energy: 1.9777930448096
Energy: 2.3752505283262453
Energy: 2.228252576360989
Energy: 2.0082977894310603
Energy: 1.9854157815253417
Energy: 1.8734362708305188
Energy: 1.758368294447582
Energy: 1.8475002633969948
Energy: 2.228252576316327
Energy: 2.007901390125162
Energy: 1.9854157815253417
Energy: 1.8734362714667039
Energy: 2.1602300110307
Energy: 1.750448999764495
Energy: 2.064870764512438
Energy: 2.0621964262359116
Energy: 1.825430061584397
Energy: 1.7850353738015905
Energy: 2.1602300110307
Energy: 1.7504489908450362
Energy: 2.064870764510205
Energy: 2.0621964262426107
Energy: 1.8690244725431147
Energy: 1.7214430134130216
Energy: 2.0706975635739684
Energy: 1.9922344798894474
Energy: 1.97805460092925
Energy: 1.9220820197038888
Energy: 1.8690244711726112
Energy: 1.7214440599489755
Energy: 2.0706975635739684
Energy: 1.9922344798894474
Energy: 2.034477068175865
Energy: 1.7719448760229726
Energy: 1.8856822912493654
Energy: 1.924431897100116
Energy: 2.0671226786200214
Energy: 2.001574869620045
Energy: 2.034477068178098
Energy: 1.7719448760274388
Energy: 1.8856821697097983
Energy: 1.924431897102349
Energy: 2.1081897736229926
Energy: 1.7640450363863343
Energy: 2.19389192574122
Energy: 1.784160489075156
Energy: 1.8050213358344775
Energy: 2.0803579633922893
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Energy: 1.8570373988355418
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Energy: 1.9883256998485621
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Energy: 2.1620162402383003
Energy: 1.8570374001212289
Energy: 2.0185916715331476
Energy: 2.3128982788880146
Energy: 1.997558847918474
Energy: 2.1738465863980596
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Energy: 2.061422258459882
Energy: 2.0185916715264485
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Energy: 1.997558847918474
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Energy: 1.7893192651093244
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Energy: 2.20878403073876
Energy: 2.0083537357141545
Energy: 1.9828207981780301
Energy: 2.016494457391198
Energy: 1.7893192651115577
Energy: 1.7831632541553075
Energy: 2.20878403073876
Energy: 2.00835375922031
Energy: 1.8002564383054833
Energy: 1.8015861054637474
Energy: 2.208774171871803
Energy: 1.7215410816022518
Energy: 2.0589608234491017
Energy: 2.0577098309480952
Energy: 1.80025646334061
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Energy: 2.208774171874036
Energy: 1.7215410427326112
Energy: 2.1827041813502928
Energy: 2.0166751565122265
Energy: 2.054014909725949
Energy: 1.7219968755418238
Energy: 2.075912524021895
Energy: 1.993552376988979
Energy: 2.1827041813368946
Energy: 2.0166751565122265
Energy: 2.0540149507227827
Energy: 1.732742292920562
Energy: 2.1002899360943434
Energy: 2.0056446537822437
Energy: 2.0663488208197776
Energy: 1.7329612668144778
Energy: 1.906806434237461
Energy: 2.0540251710795685
Energy: 2.10028993609211
Energy: 2.005644653784477
Energy: 2.0663488208175442
Energy: 1.7328467146561382
Energy: 1.7954272082241924
Energy: 1.9937345040286962
Energy: 2.123789442556633
Energy: 1.7639708733061141
Energy: 2.194240911623513
Energy: 1.7814352273885288
Energy: 1.7954272053782712
Energy: 1.9937345040398615
Energy: 2.123789442558866
Energy: 1.7639708751274974
Energy: 1.7582339902108877
Energy: 1.9820261868932598
Energy: 1.9997436469521712
Energy: 2.2511062744490795
Energy: 2.188233230744001
Energy: 1.8876310829554674
Energy: 1.7582339902153536
Energy: 1.9820261868910267
Energy: 1.9997436469499381
Energy: 2.251106274435681
Energy: 2.0052174254383646
Energy: 2.0813700495595104
Energy: 2.015903020264801
Energy: 2.2580211494655407
Energy: 1.9458778213993257
Energy: 2.2267811816460727
Energy: 2.0052174254405575
Energy: 2.081370040526205
Energy: 2.015903020273733
Energy: 2.2580212643534865
Energy: 2.000851097573223
Energy: 2.027528526585089
Energy: 1.7725178363560887
Energy: 1.7926681380496492
Energy: 2.2286007964695242
Energy: 2.0032771546737904
Energy: 2.0008510975754565
Energy: 2.027528526587322
Energy: 1.7725178363605547
Energy: 1.7926681382215153
Energy: 1.930842732550598
Energy: 2.05784947169014
Energy: 1.814039337827317
Energy: 1.8011696524302627
Energy: 1.9076588435678767
Energy: 1.7217531285211916
Energy: 1.9308427206245171
Energy: 2.0578494716923728
Energy: 1.8140393375215063
Energy: 1.8011696524257967
Energy: 2.078715032699145
Energy: 1.9920350059123597
Energy: 2.1222580469845695
Energy: 2.0075351763865235
Energy: 2.033865737037373
Energy: 1.7211988791982804
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Energy: 2.013692195591638
Energy: 1.92841502688965
Energy: 1.7859230854527475
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Energy: 2.0347706003724464
Energy: 1.967913958648699
Energy: 1.9999192100935699
Energy: 2.1403849410741884
Energy: 1.9868044257251942

minimum gb energy = 1.7211988791982804 eV
minimum distance =  1.85393787748645 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.7190722773500382
Energy: 3.054984862336017
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Energy: 1.8729449695947447
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Energy: 1.795715611225597
Energy: 1.750413622077033
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Energy: 1.750413622077033
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Energy: 1.7194267477436302
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Energy: 1.8428274899799335
Energy: 1.8290017637208913
Energy: 1.7194267477436302
Energy: 1.7221114299440392
Energy: 1.7183930894166801
Energy: 1.9245288608321767

minimum gb energy = 1.7183930894152022 eV
minimum distance =  2.21722021159892 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.9718145292830016
Energy: 2.777890791896207
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Energy: 1.9720605999363057
Energy: 1.987880681726135
Energy: 1.9050160193557952
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minimum gb energy = 1.9045938232208997 eV
minimum distance =  2.33503075480373 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.0205022569816777
Energy: 2.075938097689712
Energy: 2.08990102585932
Energy: 2.033002922823022
Energy: 2.0148099932411325
Energy: 2.4270304943687777
Energy: 2.020502259183258
Energy: 2.0759380977274033
Energy: 2.089901025860321
Energy: 2.033002922825025
Energy: 2.3178294670451267
Energy: 2.3974987288544347
Energy: 2.007281523385436
Energy: 2.696713627244806
Energy: 2.020775809788094
Energy: 2.5569433845039553
Energy: 2.317829466996753
Energy: 2.3974987288500946
Energy: 2.0072815233864376
Energy: 2.696713627244806
Energy: 2.0416111290766445
Energy: 2.4235880419422706
Energy: 2.0134174898266832
Energy: 2.011718158222875
Energy: 2.087678115695311
Energy: 2.073920428582432
Energy: 2.041611129119708
Energy: 2.4235880419015756
Energy: 2.013417489827685
Energy: 2.011718158226547
Energy: 2.1658548259655865
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Energy: 2.1415513442216407
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Energy: 1.9018120683065156
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Energy: 2.169253490460873
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Energy: 2.139102804358002
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Energy: 2.0821133735100266
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Energy: 2.139102804358002
Energy: 2.0375312463217417
Energy: 2.2340950540499924
Energy: 2.0675005360291214
Energy: 2.134669218416262
Energy: 2.2670857183753546
Energy: 1.9451062485716801
Energy: 2.037531246317402
Energy: 2.23409505405066
Energy: 2.0675005360344323
Energy: 2.134669218416262
Energy: 2.0431140883340904
Energy: 1.9740520863259903
Energy: 2.0117932591240795
Energy: 2.5278396332607076
Energy: 2.1329679342413894
Energy: 1.9862249232961533
Energy: 2.043114088334758
Energy: 1.974047306032658
Energy: 2.0117932591250804
Energy: 2.5278396332496924
Energy: 2.0065221563160867
Energy: 1.899361698756997
Energy: 1.9980723150784632
Energy: 2.695652370945894
Energy: 2.2453024251629925
Energy: 2.5068927258014986
Energy: 2.006522156317756
Energy: 1.8993616987389705
Energy: 1.9980723085825174
Energy: 2.6956523709472293
Energy: 2.0118628074528426
Energy: 2.070236138060327
Energy: 2.0654354110146533
Energy: 2.035869423229106
Energy: 2.0658394669116986
Energy: 2.067590990349415
Energy: 2.011862807452175
Energy: 2.070236138059993
Energy: 2.065435411011983
Energy: 2.0358694232277705
Energy: 2.6877006004514596
Energy: 2.118030180163534
Energy: 1.8965832194520769
Energy: 2.010022859568966
Energy: 2.5063436596512654
Energy: 2.250173238029793
Energy: 2.6877006004557993
Energy: 2.1180301801608636
Energy: 1.8965831445598635
Energy: 2.010022859568632
Energy: 2.562289977405409
Energy: 2.006300765574446
Energy: 2.0280900141915263
Energy: 2.0356264944340925
Energy: 1.9866920600124287
Energy: 2.128683752044496
Energy: 2.562289977405409
Energy: 2.006300765574112
Energy: 2.0280900141895235
Energy: 2.0356264944320897
Energy: 2.0797610282661685
Energy: 2.0676361287532434
Energy: 2.2340950540509934
Energy: 2.0510103343904813
Energy: 1.9391387096884154
Energy: 2.267085718381029
Energy: 2.07976102865856
Energy: 2.067636128754245
Energy: 2.234095054050326
Energy: 2.05101033438247
Energy: 2.1378731470142407
Energy: 2.2811715965714323
Energy: 2.207768678481205
Energy: 2.03163252067932
Energy: 2.0049464043987792
Energy: 2.1931364647227225
Energy: 2.1378731470135723
Energy: 2.2811715940922346
Energy: 2.2077686784828745
Energy: 2.031639160400473

minimum gb energy = 1.8965831445598635 eV
minimum distance =  2.30316652870138 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.8331478337434777
Energy: 2.2433747377229536
Energy: 1.862860389014574
Energy: 2.59407535361187
Energy: 1.8627429751528048
Energy: 2.2944184626030095
Energy: 1.8331478337434777
Energy: 2.2433747377229536
Energy: 1.8628603890139703
Energy: 2.522686207566802
Energy: 1.8819838167694563
Energy: 2.756645090349003
Energy: 1.846996902232358
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Energy: 2.3743274588238195
Energy: 2.1014672429879284
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Energy: 2.756645090349003
Energy: 1.8469969022329613
Energy: 2.158525396584578
Energy: 1.8624673056345225
Energy: 1.8331206250521703
Energy: 2.281400221764308
Energy: 2.077621606133272
Energy: 1.9962185331861029
Energy: 1.844120137289131
Energy: 1.8624673056333154
Energy: 1.8331206250521703
Energy: 2.2814002217649114
Energy: 2.077621606133272
Energy: 2.281419062924195
Energy: 1.8332240495923633
Energy: 1.8533731990534246
Energy: 1.8441024264441006
Energy: 1.9488706813015453
Energy: 1.8511926210500076
Energy: 2.281419062924195
Energy: 1.8332240495923633
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Energy: 1.8503935454209202
Energy: 2.756645090349003
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Energy: 2.4886194061551357
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Energy: 1.8813788194545686
Energy: 2.053099331904182
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Energy: 2.133056063698256
Energy: 1.833147833744081
Energy: 2.243374737723557
Energy: 1.8628603890139703
Energy: 2.617328541545662
Energy: 1.8627429751534084
Energy: 1.9802979962545293
Energy: 1.8331478337434777
Energy: 2.2433747377229536
Energy: 2.3743274588244225
Energy: 2.101467242986722
Energy: 1.8819838167700595
Energy: 2.667464723936947
Energy: 1.846996902232358
Energy: 2.121983033369925
Energy: 2.3743274588238195
Energy: 2.1014672429873253
Energy: 1.8819838167700595
Energy: 2.756645090349003
Energy: 1.9962185331179525
Energy: 1.844120137289131
Energy: 1.8624673056333154
Energy: 1.8331206250521703
Energy: 2.281400221764308
Energy: 2.077621606133272
Energy: 1.9962185331963596
Energy: 1.844120137289131
Energy: 1.862467305633919
Energy: 1.8331206250515668
Energy: 1.9488706813027517
Energy: 1.8511926210512144
Energy: 2.281419062924195
Energy: 1.8332240495923633
Energy: 1.853373199055838
Energy: 1.8441024264441006
Energy: 1.9488706813021484
Energy: 1.8511926210506109
Energy: 2.281419062924195
Energy: 1.83322404959176
Energy: 2.374381211089486
Energy: 2.4886194061527225
Energy: 1.8503935454209202
Energy: 2.756645090349003
Energy: 1.8813788194545686
Energy: 2.0530993318951323
Energy: 2.3743812110888824
Energy: 2.4886194061563427
Energy: 1.8503935454215235
Energy: 2.689921930245476
Energy: 1.862860389012764
Energy: 2.462049675811577
Energy: 1.8627429751540117
Energy: 2.060004075672273
Energy: 1.8331478337434777
Energy: 2.243374737723557
Energy: 1.862860389014574
Energy: 2.617328541545059
Energy: 1.8627429751528048
Energy: 1.9802979962545293
Energy: 1.846996902232358
Energy: 2.158525396583372
Energy: 2.3743274588244225
Energy: 2.1014672429873253
Energy: 1.8819838167694563
Energy: 2.5146025528728235
Energy: 1.8469969022311512
Energy: 2.0403416771434877
Energy: 2.3743274588238195
Energy: 2.1014672429873253
Energy: 2.281400221764308
Energy: 2.0776216061338757
Energy: 1.9962185331294158
Energy: 1.844120137289131
Energy: 1.862467305633919
Energy: 1.8331206250521703
Energy: 2.281400221764308
Energy: 2.077621606132669
Energy: 1.996218533277784
Energy: 1.844120137289131
Energy: 1.8533731990546314
Energy: 1.8441024264441006
Energy: 1.9488706813021484
Energy: 1.8511926210500076
Energy: 2.281419062924195
Energy: 1.8332240495923633
Energy: 1.853373199055235
Energy: 1.8441024264441006
Energy: 1.9488706813015453
Energy: 1.8511926210494043
Energy: 1.8813788194545686
Energy: 2.053099331884875
Energy: 2.3743812110888824
Energy: 2.4886194061545326
Energy: 1.8503935454209202
Energy: 2.756645090348399
Energy: 1.8813788194545686
Energy: 2.053099331880048
Energy: 2.3743812110888824
Energy: 2.488619406153326
Energy: 1.8331478337434777
Energy: 2.2433747377229536
Energy: 1.8628603890139703
Energy: 2.1797111314457305
Energy: 1.8627429751534084
Energy: 1.9802979962533227
Energy: 1.833147833744081
Energy: 2.24337473772235
Energy: 1.8628603890133673
Energy: 2.6173285415474723
Energy: 1.881983816768853
Energy: 2.2561096285471316
Energy: 1.8469969022311512
Energy: 2.040341677053617
Energy: 2.3743274588244225
Energy: 2.101467242986722
Energy: 1.8819838167694563
Energy: 2.352333880409304
Energy: 1.846996902232358
Energy: 2.040341677053617
Energy: 1.862467305633919
Energy: 1.8331206250515668
Energy: 2.2814002217649114
Energy: 2.077621606132669
Energy: 1.9962185333362812
Energy: 1.844120137289131
Energy: 1.8624673056327123
Energy: 1.8331206250521703
Energy: 2.281400221764308
Energy: 2.077621606132669
Energy: 2.281419062924195
Energy: 1.83322404959176
Energy: 1.8533731990534246
Energy: 1.8441024264441006
Energy: 1.9488706813009418
Energy: 1.8511926210500076
Energy: 2.281419062924799
Energy: 1.8332240495923633
Energy: 1.8533731990534246
Energy: 1.8441024264441006
Energy: 1.8503935454209202
Energy: 2.756645090348399
Energy: 1.8813788194545686
Energy: 2.053099331860165
Energy: 2.374381211089486
Energy: 2.4886194061527225
Energy: 1.8503935454209202
Energy: 2.756645090349003
Energy: 1.881378819455172
Energy: 2.0530993318547353
Energy: 1.8627429751522016
Energy: 1.9802979962539258
Energy: 1.8331478337434777
Energy: 2.2433747377229536
Energy: 1.8628603890139703
Energy: 2.1797111314457305
Energy: 1.8627429751509952
Energy: 1.9802979962539258
Energy: 1.833147833744081
Energy: 2.2433747377229536
Energy: 2.3743274588238195
Energy: 2.1014672429873253
Energy: 1.881983816768853
Energy: 2.256109628546528
Energy: 1.846996902232358
Energy: 2.0403416770222704
Energy: 2.3743274588244225
Energy: 2.1014672429873253
Energy: 1.881983816768853
Energy: 2.3523338804080973

minimum gb energy = 1.8331206250515668 eV
minimum distance =  2.24343656189921 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.499673346267877
Energy: 2.0699550909509137
Energy: 2.065547522881704
Energy: 2.5529148143336498
Energy: 2.05506146207738
Energy: 2.07820372090682
Energy: 2.499673346267877
Energy: 2.0724566496896157
Energy: 2.065547522881704
Energy: 2.5529148143336498
Energy: 2.4887598281897727
Energy: 2.2417115611438283
Energy: 2.0910029395684706
Energy: 2.0310216852886533
Energy: 2.1088768480058433
Energy: 2.08349759458497
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Energy: 2.0910029395684706
Energy: 2.0310216852886533
Energy: 2.0637876014982033
Energy: 2.048745791721581
Energy: 2.176447980575199
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Energy: 2.4042602526157815
Energy: 2.1760196200493764
Energy: 2.063787601561107
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Energy: 2.0903754933066447
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Energy: 1.9560178942794206
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Energy: 2.377123299702871
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Energy: 2.0016995420690686
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Energy: 2.055712025783111
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Energy: 2.1288361961535887
Energy: 2.138730264798892
Energy: 2.138628599804735
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Energy: 2.2263558389842384
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Energy: 1.9501450694331168
Energy: 1.9960419313956985
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Energy: 2.2075896346829875
Energy: 2.077235271787932
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Energy: 1.9831786056179666
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Energy: 2.0603631466126044
Energy: 2.3104927562536877
Energy: 2.021874240522738
Energy: 1.974753176123001
Energy: 2.2723951580962605
Energy: 2.1245656830594983
Energy: 2.0603631466126044
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Energy: 1.9747531764674562
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Energy: 2.124585871630347
Energy: 1.97450661378548
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Energy: 2.4652328173441673
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Energy: 2.2314175702532326
Energy: 2.0087394552603755
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Energy: 2.086741769618789
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Energy: 2.100871944373772
Energy: 2.2080376565247652
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Energy: 2.2775580486991345
Energy: 2.001748997867162
Energy: 2.304087960366792
Energy: 2.0567480863340672
Energy: 2.2080376565247652
Energy: 2.0318035057901884
Energy: 2.2775580486963998
Energy: 2.0017489978644267
Energy: 2.0412319209366627
Energy: 2.0485485872830544
Energy: 1.9967906117545122
Energy: 2.0308295543916177
Energy: 2.095695497495293
Energy: 2.31208736620242
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Energy: 2.04854858728579
Energy: 1.9967906117545122
Energy: 2.0308295543916177
Energy: 2.2932172775491115
Energy: 2.238851813167187
Energy: 2.0229322131349003
Energy: 2.2147459760572348
Energy: 2.131134861149425
Energy: 2.071605815513704
Energy: 2.2932172775491115
Energy: 2.238851813167187
Energy: 2.0229322131321656
Energy: 2.2207421694332137
Energy: 2.1421987981824406
Energy: 2.2956863629009
Energy: 2.0012146808308016
Energy: 2.004078552142767
Energy: 2.3048578253866325
Energy: 2.29721912798158
Energy: 2.1421987981824406
Energy: 2.2956863629009
Energy: 2.0012146805792845
Energy: 2.0040785521455016
Energy: 2.0831921503698876
Energy: 2.102217765152398
Energy: 2.43423503223563
Energy: 2.0329107834360856
Energy: 2.2453317032332207
Energy: 2.2972357050819023
Energy: 2.083192145356216
Energy: 2.1022177651496627
Energy: 2.43423503223563
Energy: 2.0329107834388203
Energy: 2.476157707022055
Energy: 2.1281322886889944
Energy: 2.1349123753847117
Energy: 1.9755504883755575
Energy: 2.023502285815215
Energy: 2.2511214731108273
Energy: 2.476157707022055
Energy: 2.1281322886889944
Energy: 2.1349123753847117
Energy: 1.9755504883755575
Energy: 2.151049890937001
Energy: 2.1050765898868047
Energy: 2.030733605192536
Energy: 2.2008451481143574
Energy: 2.0988413846655862
Energy: 2.0979688607304783
Energy: 2.151049895592543
Energy: 2.105076628295883
Energy: 2.030733605211681
Energy: 2.2008451481143574
Energy: 2.1504367373478694
Energy: 2.0792912202419997
Energy: 2.082799381328343
Energy: 2.007341367174978
Energy: 2.002045031842548
Energy: 2.1875837040043695
Energy: 2.150426947096358
Energy: 2.079291220274819
Energy: 2.082799381328343
Energy: 2.0073413670437494
Energy: 2.485533759909201
Energy: 2.138949901457351
Energy: 2.077182705697096
Energy: 1.9575683163381217
Energy: 2.137284753341882
Energy: 2.1040036684522008
Energy: 2.4855337599119363
Energy: 2.138949901457351
Energy: 2.077182705694361
Energy: 1.9575683163381217
Energy: 2.112344065994325
Energy: 2.2558631945207948
Energy: 2.4743675665108613
Energy: 2.021448589423852
Energy: 2.1205581490072722
Energy: 2.117516567695059
Energy: 2.112343677748302
Energy: 2.255863194569974
Energy: 2.4743675665108613
Energy: 2.021448589423852
Energy: 2.0835215507095466
Energy: 2.232511710065602
Energy: 2.222983567334002
Energy: 2.010145188721192
Energy: 2.027267367131289
Energy: 2.3250589527770336
Energy: 2.0835215507068616
Energy: 2.2325117100628677
Energy: 2.222983567334002
Energy: 2.010145188721192
Energy: 2.1430248181827523
Energy: 1.9404035502460255
Energy: 2.128948681619103
Energy: 2.2107943193161708
Energy: 2.0088065421929446
Energy: 2.2363691751127917
Energy: 2.143026767912114
Energy: 1.9404035502460255
Energy: 2.128948681619103
Energy: 2.2107943194091098
Energy: 2.24658812273869
Energy: 2.2166830502982404
Energy: 2.1133790897738725
Energy: 2.0221001732215877
Energy: 2.00836744835837
Energy: 2.0521625105951644
Energy: 2.24658812273869
Energy: 2.216683001932877
Energy: 2.1133790897766076
Energy: 2.0221001732215877
Energy: 1.9389279502008303
Energy: 2.1979909813735947
Energy: 2.3113961847065965
Energy: 2.0994909035366116
Energy: 2.281376588346458
Energy: 2.043172140202912
Energy: 1.9389279532461794
Energy: 2.1978584740109297
Energy: 2.3113961846765116
Energy: 2.0994909035366116
Energy: 2.231759316637614
Energy: 2.1771463130690023
Energy: 2.2560284917026134
Energy: 2.1001358009034297
Energy: 2.1410242249185156
Energy: 2.0026969830591677
Energy: 2.231759310992416
Energy: 2.1771463129159447
Energy: 2.2569883157069626
Energy: 2.1001358009034297
Energy: 2.0979117040051833
Energy: 2.174366433459905
Energy: 2.1444202565274044
Energy: 1.9849147871471788
Energy: 1.9791753793947924
Energy: 2.1147584207093293
Energy: 2.0979117040024486
Energy: 2.174535010652569
Energy: 2.144420256554754
Energy: 1.9849147873385264
Energy: 2.0542866358090714
Energy: 2.14872761593434
Energy: 2.2957546367716737
Energy: 2.10619369480637
Energy: 2.05805688599408
Energy: 2.274233392647105
Energy: 2.0542866358090714
Energy: 2.148727615890581
Energy: 2.2957546367689385
Energy: 2.10619369481184
Energy: 2.17771205535648
Energy: 2.1205808985181216
Energy: 2.2891160041894243
Energy: 2.365990662627272
Energy: 2.0335254112502277
Energy: 2.0060817828957918
Energy: 2.17771205535648
Energy: 2.1205808985181216
Energy: 2.2891160041948937
Energy: 2.365990662627272
Energy: 2.5476660088152876
Energy: 2.1364053480401153
Energy: 1.9440095307065568
Energy: 2.1422639098537877
Energy: 2.240870917710943
Energy: 2.0032253690346886
Energy: 2.5476660088180223
Energy: 2.1364053480401153
Energy: 1.9440095307038219
Energy: 2.142263909848318
Energy: 2.0414279318802504
Energy: 2.1112041605924823
Energy: 2.2743993437907055
Energy: 2.15118493856668
Energy: 2.297807351039583
Energy: 2.0149876801474114
Energy: 2.0414279318802504
Energy: 2.111204160608843
Energy: 2.274399343779766
Energy: 2.1511849385639454
Energy: 2.0413371957972695
Energy: 1.9895513590728477
Energy: 2.2089852509252497
Energy: 2.2844097054230055
Energy: 2.049977126054639
Energy: 2.3875146039225945
Energy: 2.0413371957972695
Energy: 1.9895512933209212
Energy: 2.2089852512177908
Energy: 2.2844097054640304
Energy: 1.9625421725692338
Energy: 2.014576724713032
Energy: 2.1598209461805054
Energy: 2.4363150902285073
Energy: 2.1190113356580342
Energy: 2.211845622310086
Energy: 1.9625421725692338
Energy: 2.014576724745852
Energy: 2.1598209461777698
Energy: 2.4363150854171223
Energy: 2.022724617943964
Energy: 2.07558701701885
Energy: 2.1469620315862152
Energy: 2.0689231461409543
Energy: 2.2714772435504305
Energy: 1.9665142079784017
Energy: 2.022724617943964
Energy: 2.07558701701885
Energy: 2.14696203168189
Energy: 2.068351386579311

minimum gb energy = 1.9389279502008303 eV
minimum distance =  2.33785158921678 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.2648682052317195
Energy: 2.3669777990716008
Energy: 1.9328711472086264
Energy: 2.662093118771067
Energy: 1.9576606134843373
Energy: 2.527908923721245
Energy: 2.2648682054986167
Energy: 2.366977764596782
Energy: 1.932871147210619
Energy: 2.662093118771067
Energy: 2.3561301384133975
Energy: 2.236249352789378
Energy: 1.9246976822161797
Energy: 2.0618451695615057
Energy: 2.14602693577537
Energy: 2.0840169122214904
Energy: 2.356130138414394
Energy: 2.2362493527903746
Energy: 1.9246976822151831
Energy: 2.0618451695605096
Energy: 1.7789737502450367
Energy: 1.931414816577372
Energy: 1.9650885365015847
Energy: 1.7908805773060694
Energy: 1.9816472583678413
Energy: 2.184383607517431
Energy: 1.7789737502450367
Energy: 1.9314148165743827
Energy: 1.9660466240214711
Energy: 1.7908805773050729
Energy: 2.466310615586613
Energy: 1.9222973024293486
Energy: 2.3388086518524775
Energy: 1.9484642018804503
Energy: 1.9628820258591908
Energy: 2.1174900837384167
Energy: 2.4663106155886054
Energy: 1.9222973024064314
Energy: 2.338808651853473
Energy: 1.9484642018814469
Energy: 2.2821679254811587
Energy: 1.8979509078879155
Energy: 1.9288715185619032
Energy: 2.5249737611354925
Energy: 1.9420847941595776
Energy: 1.7118411879168098
Energy: 2.2821679254781695
Energy: 2.1713924434600513
Energy: 1.9288715185628995
Energy: 2.524973761136489
Energy: 2.271441535924644
Energy: 2.2061121052323007
Energy: 1.9941920039688263
Energy: 1.7762664767193257
Energy: 1.9410554909158242
Energy: 2.155797777876432
Energy: 2.271441535924644
Energy: 2.2061121052323007
Energy: 1.9941920039160175
Energy: 1.7762664767193257
Energy: 2.452615425877428
Energy: 2.0212264490759306
Energy: 2.081477321485223
Energy: 1.9427378544651925
Energy: 1.8941965224176063
Energy: 1.929205051008556
Energy: 2.4526154258565045
Energy: 2.021226449074934
Energy: 2.0814773214832303
Energy: 1.9427378544651925
Energy: 1.7791284838820343
Energy: 2.123197329879429
Energy: 2.305833421188714
Energy: 1.9569612461388108
Energy: 2.0907727419459134
Energy: 1.920104118484208
Energy: 1.7791284838830306
Energy: 2.1231973298784323
Energy: 2.305833421188714
Energy: 1.956961246146782
Energy: 2.156123417694287
Energy: 2.0758265791292962
Energy: 2.437137085313172
Energy: 1.959146847667605
Energy: 1.9351257115269669
Energy: 2.4009725010555423
Energy: 2.1561234176952837
Energy: 2.0758265791183357
Energy: 2.4371370853121754
Energy: 1.9591468476695977
Energy: 2.267513249652696
Energy: 1.8741240061721074
Energy: 1.8896857012985058
Energy: 1.9652198897568773
Energy: 1.927801160707239
Energy: 2.192219659238626
Energy: 2.2675132495889727
Energy: 1.8741240063603348
Energy: 1.8896857012985058
Energy: 1.9652198897578737
Energy: 2.530063093430513
Energy: 2.07652142093214
Energy: 1.9506979109152058
Energy: 1.9351559302675518
Energy: 2.064616460368904
Energy: 2.006283787538983
Energy: 2.530063093461401
Energy: 2.0765214209272034
Energy: 1.9506979109311482
Energy: 1.9351559302685482
Energy: 1.5912823748339102
Energy: 2.086192026335222
Energy: 2.364432482955403
Energy: 1.7901621379635704
Energy: 2.1340477601588073
Energy: 2.090041225543699
Energy: 1.5912823748319176
Energy: 2.086192026345186
Energy: 2.3644324829563996
Energy: 1.790162137965563
Energy: 2.0793517616564077
Energy: 2.0243268353858412
Energy: 2.1459603372896523
Energy: 1.9824523123157416
Energy: 1.9658273103462751
Energy: 2.2363297610124784
Energy: 2.0793520610907907
Energy: 2.0243268353888304
Energy: 2.1459603372906484
Energy: 1.9824523123157416
Energy: 2.210470968446228
Energy: 2.1134027946843528
Energy: 1.9237167102131174
Energy: 2.2718805636146318
Energy: 1.9194773186458496
Energy: 2.2789166888575756
Energy: 2.2104709684442354
Energy: 2.1134027946823597
Energy: 1.9237167102131174
Energy: 2.2718805636166244

minimum gb energy = 1.5912823748319176 eV
minimum distance =  2.34745056615564 Angstroms
sigma value = 33