Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56200759857893
cohesive_energy=4.399993240679222
mass=55.845
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: 0.01980800662078812
Energy: 0.3531677620023571
Energy: 0.3531677620023571
Energy: 0.01980800662078812
Energy: 0.3531677620023571
Energy: 0.3531677620008682
Energy: 0.019808006622276962
Energy: 0.3531677620008682
Energy: 0.3531677620023571
Energy: 0.01980800662078812
Energy: 0.3508797234861924
Energy: 0.024011823685807978
Energy: 0.3738640940254142
Energy: 0.3508797234861924
Energy: 0.024011823685807978
Energy: 0.3738640940254142
Energy: 0.3508797234847036
Energy: 0.024011823685807978
Energy: 0.3738640940254142
Energy: 0.3508797234861924
Energy: 1.2573189131434432
Energy: 0.020640763717805967
Energy: 0.020640763717805967
Energy: 1.2573189131419882
Energy: 0.020640763717805967
Energy: 0.020640763717805967
Energy: 1.2573189131434432
Energy: 0.020640763717805967
Energy: 0.020640763717805967
Energy: 1.2573189131449318
Energy: 0.3508797234847036
Energy: 0.37386409402392534
Energy: 0.024011823685807978
Energy: 0.3508797234861924
Energy: 0.37386409402392534
Energy: 0.024011823685807978
Energy: 0.3508797234847036
Energy: 0.37386409402392534
Energy: 0.024011823685807978
Energy: 0.3508797234847036
Energy: 0.01980800662078812
Energy: 0.3531677620023571
Energy: 0.3531677620023571
Energy: 0.01980800662078812
Energy: 0.3531677620023571
Energy: 0.3531677620023571
Energy: 0.01980800662078812
Energy: 0.3531677620023571
Energy: 0.3531677620023571
Energy: 0.01980800662078812
Energy: 0.3508797234847036
Energy: 0.024011823685807978
Energy: 0.37386409402392534
Energy: 0.3508797234861924
Energy: 0.024011823685807978
Energy: 0.37386409402392534
Energy: 0.3508797234861924
Energy: 0.024011823685807978
Energy: 0.37386409402392534
Energy: 0.3508797234861924
Energy: 1.2573189131434432
Energy: 0.020640763717805967
Energy: 0.02064076371631713
Energy: 1.2573189131434432
Energy: 0.020640763717805967
Energy: 0.020640763717805967
Energy: 1.485324124021794
Energy: 0.30825997874437683
Energy: 0.020640763717805967
Energy: 1.355121689468744

minimum gb energy = 0.01980800662078812 eV
minimum distance =  2.32951310281093 Angstroms
sigma value = 3


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

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Energy: 1.4305594560189556
Energy: 1.3316914464030989
Energy: 1.1132320133235718
Energy: 1.4305594560189556
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Energy: 1.183428020760091
Energy: 1.4305594560189556
Energy: 1.3316914463994518
Energy: 1.1132320133235718
Energy: 1.396856531972462
Energy: 1.1468556794398255
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Energy: 1.396856531972462
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Energy: 1.1468556794398255
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Energy: 1.4832199498190264
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Energy: 1.4248994595374338
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Energy: 1.4832199498190264
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Energy: 1.4079515056266962
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Energy: 1.5652147524245092
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Energy: 1.433011503164707
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Energy: 1.5217980603006065
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Energy: 1.4511216493155037
Energy: 1.3315948080987718
Energy: 1.448767462533239
Energy: 1.147028036048722
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Energy: 1.146913132843284
Energy: 1.3315948080987718
Energy: 1.448767462533239
Energy: 1.147028036048722
Energy: 1.3315948081024187
Energy: 1.1983200255641062
Energy: 1.2002391080889931
Energy: 1.4644849541272582
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Energy: 1.1983200255641062
Energy: 1.2002391080889931
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Energy: 1.149560443466555
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Energy: 1.429496776170857
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Energy: 1.0106740110452879
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Energy: 1.5457395892446821
Energy: 1.3422003526821693
Energy: 0.9776517533274774
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Energy: 1.5457395892446821
Energy: 1.3422003526858164
Energy: 0.9776517533274774
Energy: 1.5457395892446821
Energy: 0.9391565591839944
Energy: 1.4124330977041004
Energy: 1.5179587117730908
Energy: 0.9391565591839944
Energy: 1.4222329588426532
Energy: 1.5247051601087864
Energy: 0.9391565591839944
Energy: 1.4124330977077473
Energy: 1.5179587117621502
Energy: 0.9391565591803476
Energy: 1.5183586447919357
Energy: 0.9564197875683179
Energy: 1.4152665295457658
Energy: 1.518358644788289
Energy: 0.9564197875683179
Energy: 1.4152665295421187
Energy: 1.5183586447919357
Energy: 0.9564197875683179
Energy: 1.415266529538472
Energy: 1.5183586447919357
Energy: 1.1895048167022526
Energy: 1.6369814382954282
Energy: 1.3156976688315658
Energy: 1.1895048167022526
Energy: 1.6369814382954282
Energy: 1.3156976688315658
Energy: 1.1895048167022526
Energy: 1.636981438299075
Energy: 1.3156976688279192
Energy: 1.1895048167022526
Energy: 1.3036908328791472
Energy: 1.3287219478413843
Energy: 1.0956921457033708
Energy: 1.3036908328791472
Energy: 1.3287219478377377
Energy: 1.1062461640915302
Energy: 1.3036908328791472
Energy: 1.3287219478377377
Energy: 1.0956921457033708
Energy: 1.3036908328791472
Energy: 1.0917052935227562
Energy: 1.4305594560189556
Energy: 1.3316914464030989
Energy: 1.0978199043585894
Energy: 1.4305594560153088
Energy: 1.331691446395805
Energy: 1.0917052935191094
Energy: 1.4305594560189556
Energy: 1.331691446395805
Energy: 1.0978199043585894
Energy: 1.396856531968815
Energy: 1.1468556794398255
Energy: 1.5322533331823933
Energy: 1.396856531968815
Energy: 1.1468556794434723
Energy: 1.5322533331823933
Energy: 1.3968565319760424
Energy: 1.1468556794398255
Energy: 1.53225333318604
Energy: 1.3968565319760424
Energy: 1.4824646330319189
Energy: 1.4185392788135291
Energy: 1.5180622026778348
Energy: 1.439062355850498
Energy: 1.4185392788135291
Energy: 1.5180622026705408
Energy: 1.4824646330355657
Energy: 1.4185392788135291
Energy: 1.5180622026705408
Energy: 1.439062355850498
Energy: 1.5652147524245092
Energy: 1.4079515056266962
Energy: 0.9408901804390859
Energy: 1.5652147524245092
Energy: 1.4079515056266962
Energy: 0.9408901804390859
Energy: 1.5652147524172153
Energy: 1.4079515056303429
Energy: 0.9408901804390859
Energy: 1.5652147524208624

minimum gb energy = 0.9391565591803476 eV
minimum distance =  2.32446842070873 Angstroms
sigma value = 75


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

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Energy: 1.0154984624223715
Energy: 1.0236075437168954
Energy: 1.3466680655172005
Energy: 1.015498462424151
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Energy: 1.4099730519582157
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minimum gb energy = 1.014477769608253 eV
minimum distance =  2.29643552070078 Angstroms
sigma value = 105


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

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Energy: 1.2715968528709913
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Energy: 1.1761676476250598
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Energy: 1.3664993908429284
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Energy: 1.2153319417589024
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Energy: 1.215331941756895
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Energy: 1.3345289471201747
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Energy: 1.3338764910505971
Energy: 1.3345289471201747
Energy: 1.3181332675329407
Energy: 1.3338764910505971
Energy: 1.3345289471161597
Energy: 1.3181332675329407
Energy: 1.2624617926074557
Energy: 1.309806254112727
Energy: 1.353867301970131
Energy: 1.2624617926054482
Energy: 1.3842162973921925
Energy: 1.353867301970131
Energy: 1.2624617926094632
Energy: 1.3098062541167057
Energy: 1.353867301972139
Energy: 1.2624617926094632
Energy: 1.439308781681033
Energy: 1.441505388090397
Energy: 1.204291543266234
Energy: 1.439308781681033
Energy: 1.3667496195011652
Energy: 1.204291543262219
Energy: 1.4393087816790253
Energy: 1.4415053880924045
Energy: 1.2042915432602117
Energy: 1.4393087816830403
Energy: 1.2121667676096832
Energy: 1.41685567278351
Energy: 1.155033266989333
Energy: 1.2121667676096832
Energy: 1.4168556727815027
Energy: 1.155033266989333
Energy: 1.2121667676096832
Energy: 1.41685567278351
Energy: 1.1550332669933485
Energy: 1.2121667676116907
Energy: 1.296029632227827
Energy: 1.5566471797103252
Energy: 1.18900606057238
Energy: 1.2960296322298346
Energy: 1.554814214448023
Energy: 1.18900606057238
Energy: 1.2960296322298346
Energy: 1.5566471797083177
Energy: 1.18900606057238
Energy: 1.2960296322298346
Energy: 1.2539431651325943
Energy: 1.3353495020613242
Energy: 1.2998007051273424
Energy: 1.2539431651346018
Energy: 1.3413911208440013
Energy: 1.2998007051273424
Energy: 1.253943165136609
Energy: 1.335349502053294
Energy: 1.2998007051233271
Energy: 1.253943165136609
Energy: 1.4053996817579584
Energy: 1.2434566659735264
Energy: 1.3739383559676028
Energy: 1.4053996817619732
Energy: 1.241984352130082
Energy: 1.3739383559676028
Energy: 1.4053996817579584
Energy: 1.2434566659735264
Energy: 1.3739383559676028
Energy: 1.4053996817599659

minimum gb energy = 1.0823669320911846 eV
minimum distance =  2.30327468109268 Angstroms
sigma value = 165


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

Energy: 1.0131506884191264
Energy: 1.293461831839581
Energy: 1.2929014586867194
Energy: 1.0131506884205046
Energy: 1.2934618318402702
Energy: 1.2929014587101522
Energy: 1.0131506884191264
Energy: 1.2934618318388915
Energy: 1.2929014586763814
Energy: 1.0131506884205046
Energy: 1.0233396095446354
Energy: 1.012884400250896
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Energy: 1.023339609543257
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Energy: 1.574442664123777
Energy: 1.0130328392949002
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Energy: 1.2622252103372835
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Energy: 1.0132499552870795
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Energy: 1.5484423115220833
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Energy: 1.2558423506685648
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Energy: 1.2624377812174334
Energy: 1.551828439388221
Energy: 1.0662142844487636
Energy: 1.2624273276391957
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Energy: 1.0662142844487636
Energy: 1.2624386152054432
Energy: 1.5518284393875317
Energy: 1.0662142844487636
Energy: 1.3142954714682267
Energy: 1.0127206819057997
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Energy: 1.4266206397061014
Energy: 1.3142954714682267
Energy: 1.012720681903732
Energy: 1.4266206397123042
Energy: 1.3142954714682267
Energy: 1.2622619674434332
Energy: 1.0180927291517463
Energy: 1.295757618881764
Energy: 1.2622570140646987
Energy: 1.018092729151057
Energy: 1.2957576188810749
Energy: 1.261343986383663
Energy: 1.0180927291524353
Energy: 1.2957576188796966
Energy: 1.2622237113115862
Energy: 1.2339015037477865
Energy: 1.0134784071194076
Energy: 1.5734306017813913
Energy: 1.2339015037491647
Energy: 1.0134784071173402
Energy: 1.5734306017800128
Energy: 1.2339015037477865
Energy: 1.0134784071180292
Energy: 1.5734306017807018
Energy: 1.2339015037491647
Energy: 1.02363280282238
Energy: 1.317055208290005
Energy: 1.0141525281272017
Energy: 1.0236328028995076
Energy: 1.3170552082920726
Energy: 1.0141525281244448
Energy: 1.0236328029036428
Energy: 1.3170552082913836
Energy: 1.0141525281265127
Energy: 1.0236328028575288
Energy: 1.0131506884198156
Energy: 1.293461831839581
Energy: 1.292901458558591
Energy: 1.013150688421194
Energy: 1.2934618318416484
Energy: 1.2929014585860965
Energy: 1.0131506884198156
Energy: 1.2934618318388915
Energy: 1.292901458581961
Energy: 1.013150688421194

minimum gb energy = 1.012720681903732 eV
minimum distance =  2.36731610675124 Angstroms
sigma value = 41


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

Energy: 1.3032797950802852
Energy: 1.2258147037023974
Energy: 1.2277279636607428
Energy: 1.25648992376547
Energy: 1.2258147036970495
Energy: 1.2277279636607428
Energy: 1.3032797950802852
Energy: 1.2258147036943752
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Energy: 1.1703502181351768
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Energy: 0.9512573544623305
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Energy: 1.1942408584455735
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Energy: 1.0262717276534867
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Energy: 0.8585223507993073
Energy: 1.2041728060945622
Energy: 1.0069550160750438
Energy: 1.0487785044746778
Energy: 1.1042078446963088
Energy: 0.9490774269498474
Energy: 1.048778504480026
Energy: 1.104207844698983
Energy: 0.9157239655843323
Energy: 1.0487785044746778
Energy: 1.1042078447043309
Energy: 0.9490774269471735
Energy: 1.0487785044773517
Energy: 1.183451393453783
Energy: 1.2333907801932817
Energy: 0.9384798658754803
Energy: 1.183451393453783
Energy: 1.2333907801959558
Energy: 0.9381452472508881
Energy: 1.183451393453783
Energy: 1.2333907801959558
Energy: 0.9384798658754803
Energy: 1.183451393453783
Energy: 0.963657099203768
Energy: 1.273538574928919
Energy: 1.0563393868046835
Energy: 0.9636570992064422
Energy: 1.2735385749315928
Energy: 1.0563393868073574
Energy: 0.9636570992064422
Energy: 1.2735385749315928
Energy: 1.0563393868100317
Energy: 0.9636570992064422
Energy: 0.940091354235278
Energy: 1.0032727928731209
Energy: 0.9346835158175711
Energy: 0.940091354235278
Energy: 1.003272792878469
Energy: 0.9346835158229192
Energy: 0.940091354235278
Energy: 1.003272792870447
Energy: 0.9346835158255933
Energy: 0.940091354235278
Energy: 1.0484670806257814
Energy: 0.9939079842111944
Energy: 0.9130326296318969
Energy: 1.0484670806231076
Energy: 0.9939079842111944
Energy: 0.9130326296292229
Energy: 1.0484670806257814
Energy: 0.9939079842138683
Energy: 0.9130326296345224
Energy: 1.0484670806284555
Energy: 1.1980957528448999
Energy: 0.8618169416763379
Energy: 1.123911152803889
Energy: 1.1980957528448999
Energy: 0.8618169416790119
Energy: 1.123911152803889
Energy: 1.1980957528475253
Energy: 0.86181694168436
Energy: 1.1239111528092371
Energy: 1.1980957528448999
Energy: 1.2229714430330683
Energy: 1.2319962145129009
Energy: 1.211855235693992
Energy: 1.2229714430330683
Energy: 1.2319962145129009
Energy: 1.2118556329730201
Energy: 1.2229714430330683
Energy: 1.231996214515575
Energy: 1.211855235693992
Energy: 1.2229714430357423
Energy: 0.8556508405335654
Energy: 1.1153963525130124
Energy: 1.1736884735320974
Energy: 0.8556508405308914
Energy: 1.1322641536989992
Energy: 1.1737564020170048
Energy: 0.8556508405335654
Energy: 1.1153963525103383
Energy: 1.1736884735320974
Energy: 0.8556508405362395
Energy: 0.85882627784259
Energy: 0.9268289832327092
Energy: 0.9413334349092841
Energy: 0.8588262778372421
Energy: 0.9269666608675704
Energy: 0.9224029360193949
Energy: 0.858826277839916
Energy: 0.9268289832353831
Energy: 0.9413334349066101
Energy: 0.85882627784259
Energy: 0.8489193310531612
Energy: 0.9750261728117019
Energy: 0.8823325219917721
Energy: 0.8489193310558352
Energy: 0.9675590816120826
Energy: 0.8823325219944462
Energy: 0.8489193310558352
Energy: 0.9750261728090277
Energy: 0.8823325219944462
Energy: 0.8489193310558352
Energy: 1.2061005181723063
Energy: 0.9331776085208815
Energy: 0.9251509581929668
Energy: 1.2061005181723063
Energy: 0.9347651524725935
Energy: 0.9251509581983149
Energy: 1.2061005181749802
Energy: 0.9331776085262297
Energy: 0.9251509581902926
Energy: 1.2061005181749802
Energy: 1.2441719493033014
Energy: 1.211425535671119
Energy: 0.9345147896353739
Energy: 1.2441719493033014
Energy: 1.211425535679141
Energy: 0.9345147896380479
Energy: 1.2441719493006271
Energy: 1.211425535671119
Energy: 0.9345147896380479
Energy: 1.2441719493006271

minimum gb energy = 0.8489193310531612 eV
minimum distance =  2.33850893117445 Angstroms
sigma value = 185


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

Energy: 1.1661596639287244
Energy: 0.30079632171331616
Energy: 0.32297969586852776
Energy: 0.7439908358519484
Energy: 0.30079632171331616
Energy: 0.322979695863449
Energy: 1.16615966392682
Energy: 0.30079632171649046
Energy: 0.322979695870086
Energy: 0.7439908358519484
Energy: 0.9123025880719251
Energy: 0.3217825481868794
Energy: 0.7740805103769502
Energy: 0.8465164218956435
Energy: 0.3217825481878028
Energy: 0.7853375898804057
Energy: 0.9123025880757341
Energy: 0.3217825481856097
Energy: 0.774080510380413
Energy: 0.8465164219010686
Energy: 0.8736694352762872
Energy: 0.29861524795494676
Energy: 0.8785547435735181
Energy: 0.8778056711703699
Energy: 0.29861524795558164
Energy: 0.8815234248768173
Energy: 0.8736694352794614
Energy: 0.29861524795558164
Energy: 0.8785547435719598
Energy: 0.8778056711662723
Energy: 0.8922924373760878
Energy: 0.32172786405946474
Energy: 0.911718339798493
Energy: 0.8922924373763763
Energy: 0.321727864057214
Energy: 0.8167143206175671
Energy: 0.8922924373748181
Energy: 0.3217278640556557
Energy: 0.9117183398000511
Energy: 0.8922924373725672
Energy: 0.2984373842029982
Energy: 0.30178793027511264
Energy: 0.8680554997106152
Energy: 0.29843738420074734
Energy: 0.30178793027990286
Energy: 0.6744375513360712
Energy: 0.29843738419947763
Energy: 0.3017879302801914
Energy: 0.8680554997099804
Energy: 0.2984373842013822
Energy: 0.613018957145855
Energy: 0.9207597732886909
Energy: 0.8644263403549561
Energy: 0.6130189571481057
Energy: 0.8298916822524235
Energy: 0.8787089546432807
Energy: 0.6130189571471246
Energy: 0.9207597732896718
Energy: 0.864426340352763
Energy: 0.6130189571462012
Energy: 0.2989899314740756
Energy: 0.816681179095281
Energy: 0.8985086472768151
Energy: 0.2989899314730944
Energy: 0.9221152471614439
Energy: 0.89850864727745
Energy: 0.29898993147182473
Energy: 0.8166811790956273
Energy: 0.8985086472777386
Energy: 0.2989899314734407
Energy: 0.6107329115775293
Energy: 0.7429939096504372
Energy: 0.2957984435090523
Energy: 0.6107329115835316
Energy: 0.8136802389459662
Energy: 0.2957984435109568
Energy: 0.6107329115813385
Energy: 0.7429939096533229
Energy: 0.295798443510322
Energy: 0.6107329115803574
Energy: 0.6241170782667167
Energy: 0.8960107237712029
Energy: 0.29834515429863334
Energy: 0.6266887609328954
Energy: 0.8682887445272256
Energy: 0.2983451543008841
Energy: 0.6241170782676401
Energy: 0.8960107237676824
Energy: 0.29834515429863334
Energy: 0.6266887609287399
Energy: 0.8531554956587187
Energy: 0.8453313119224387
Energy: 0.3210018990753681
Energy: 0.741419980752865
Energy: 0.7572694863871835
Energy: 0.321001899074387
Energy: 0.853155495659065
Energy: 0.845331311922785
Energy: 0.3210018990747333
Energy: 0.7414199807509603
Energy: 0.932497465096389
Energy: 0.8858428693307618
Energy: 0.3000514277261303
Energy: 0.8759088800092385
Energy: 0.8858428693311081
Energy: 0.3000514277251492
Energy: 0.9324974650980049
Energy: 0.8858428693285687
Energy: 0.3000514277251492
Energy: 0.8759088800111429
Energy: 0.8763571021662986
Energy: 0.30079632171395104
Energy: 0.322979695858024
Energy: 0.7408728807719597
Energy: 0.30079632171423965
Energy: 0.32297969585392633
Energy: 0.8763571021621432
Energy: 0.30079632171585563
Energy: 0.32297969587262537
Energy: 0.7408728807684968
Energy: 0.8827702316999275
Energy: 0.3217825481846286
Energy: 0.8485842162948262
Energy: 0.8215165268339044
Energy: 0.3217825481890725
Energy: 0.6675804432337172
Energy: 0.882770231696407
Energy: 0.3217825481881491
Energy: 0.8485842162948262
Energy: 0.8215165268364438
Energy: 0.8516503332381713
Energy: 0.29861524795494676
Energy: 0.7421900488613801
Energy: 0.7473078376957629
Energy: 0.29861524795592786
Energy: 0.8469306509809432
Energy: 0.8516503332362668
Energy: 0.29861524795719757
Energy: 0.7421900488632845
Energy: 0.747307837698591
Energy: 0.8922924373782808
Energy: 0.3217278640588299
Energy: 0.8129722390987445
Energy: 0.8922924373779922
Energy: 0.321727864057214
Energy: 0.9192650925495948
Energy: 0.8922924373757414
Energy: 0.3217278640559442
Energy: 0.8129722390996679
Energy: 0.8922924373744718
Energy: 0.2984373842023633
Energy: 0.30178793027736345
Energy: 0.8123983102403399
Energy: 0.2984373842029982
Energy: 0.3017879302814611
Energy: 0.7436552975850682
Energy: 0.29843738420045873
Energy: 0.3017879302818074
Energy: 0.8123983102416097
Energy: 0.29843738420074734
Energy: 0.6130189571442967
Energy: 0.6575219016209891
Energy: 0.8411043624028355
Energy: 0.6130189571468361
Energy: 0.8113250561745704
Energy: 0.7964279193100138
Energy: 0.6130189571471246
Energy: 0.6575219016206428
Energy: 0.8411043624057211
Energy: 0.6130189571455663
Energy: 0.2989899314740756
Energy: 0.858553493675581
Energy: 0.8985086472768151
Energy: 0.2989899314747104
Energy: 0.8218787037472789
Energy: 0.8985086472777386
Energy: 0.29898993147026653
Energy: 0.8585534936762159
Energy: 0.8985086472787197
Energy: 0.2989899314724596
Energy: 0.6107329115790877
Energy: 0.6741170653486396
Energy: 0.29579844350968715
Energy: 0.6107329115841664
Energy: 0.8679913644498218
Energy: 0.2957984435106106
Energy: 0.6107329115828968
Energy: 0.6741170653444842
Energy: 0.2957984435109568
Energy: 0.6107329115828968
Energy: 0.8124818892767901
Energy: 0.8217572998272795
Energy: 0.29834515429834474
Energy: 0.4777245791282588
Energy: 0.9201023660756201
Energy: 0.2983451542989796
Energy: 0.8124818892726349
Energy: 0.8217572998266448
Energy: 0.29834515429834474
Energy: 0.4777245791295285
Energy: 0.8733345219774126
Energy: 0.8746912732718545
Energy: 0.32100189907375215
Energy: 0.877679438168214
Energy: 0.8789672056874832
Energy: 0.32100189907311727
Energy: 0.8733345219771239
Energy: 0.8746912732712195
Energy: 0.3210018990750218
Energy: 0.8776794381666557
Energy: 1.046056904440379
Energy: 0.8858428693311081
Energy: 0.30005142772832333
Energy: 0.8725228737936669
Energy: 0.8858428693317429
Energy: 0.3000514277248606
Energy: 1.0460569044388206
Energy: 0.8858428693298385
Energy: 0.3000514277261303
Energy: 0.8725228737911276
Energy: 1.16615966392682
Energy: 0.30079632171268134
Energy: 0.322979695858024
Energy: 0.7439908358503323
Energy: 0.30079632171331616
Energy: 0.32297969585646574
Energy: 1.166159663927455
Energy: 0.30079632171741383
Energy: 0.322979695863449
Energy: 0.7439908358503323
Energy: 0.9123025880722135
Energy: 0.3217825481862446
Energy: 0.7740805103794897
Energy: 0.8465164218966247
Energy: 0.3217825481875143
Energy: 0.7853375898813868
Energy: 0.9123025880747528
Energy: 0.3217825481856097
Energy: 0.774080510382029
Energy: 0.8465164218985292
Energy: 0.8736694352772683
Energy: 0.29861524795558164
Energy: 0.8785547435732296
Energy: 0.8778056711697927
Energy: 0.29861524795402333
Energy: 0.8815234248784333
Energy: 0.8736694352798077
Energy: 0.29861524795621647
Energy: 0.8785547435709787
Energy: 0.877805671164714
Energy: 0.8922924373763763
Energy: 0.3217278640578488
Energy: 0.9117183398010322
Energy: 0.8922924373773574
Energy: 0.3217278640578488
Energy: 0.8167143206185482
Energy: 0.8922924373754529
Energy: 0.3217278640565791
Energy: 0.9117183397965883
Energy: 0.8922924373732021
Energy: 0.2984373842032867
Energy: 0.30178793027672857
Energy: 0.8680554997099804
Energy: 0.29843738420172844
Energy: 0.3017879302805377
Energy: 0.674437551336706
Energy: 0.29843738419982396
Energy: 0.30178793027990286
Energy: 0.868055499710269
Energy: 0.2984373842026518
Energy: 0.6130189571452201
Energy: 0.9207597732893257
Energy: 0.8644263403568607
Energy: 0.6130189571462012
Energy: 0.8298916822482681
Energy: 0.8787089546439156
Energy: 0.6130189571468361
Energy: 0.9207597732890369
Energy: 0.8644263403530515
Energy: 0.6130189571468361
Energy: 0.2989899314730944
Energy: 0.8166811790946462
Energy: 0.8985086472771038
Energy: 0.2989899314734407
Energy: 0.9221152471598855
Energy: 0.89850864727745
Energy: 0.2989899314715362
Energy: 0.8166811790946462
Energy: 0.8985086472780849
Energy: 0.2989899314705551
Energy: 0.610732911577818
Energy: 0.7429939096501488
Energy: 0.295798443510322
Energy: 0.6107329115835316
Energy: 0.8136802389466009
Energy: 0.2957984435090523
Energy: 0.6107329115828968
Energy: 0.7429939096514183
Energy: 0.2957984435099757
Energy: 0.6107329115828968
Energy: 0.6241170782676401
Energy: 0.8960107237695869
Energy: 0.2983451542989796
Energy: 0.6266887609325491
Energy: 0.8682887445272256
Energy: 0.29834515429834474
Energy: 0.6241170782673514
Energy: 0.8960107237676824
Energy: 0.29834515429863334
Energy: 0.6266887609309907
Energy: 0.853155495655256
Energy: 0.8453313119234198
Energy: 0.3210018990747333
Energy: 0.7414199807519415
Energy: 0.7572694863871835
Energy: 0.32100189907375215
Energy: 0.8531554956609696
Energy: 0.8453313119218039
Energy: 0.3210018990753681
Energy: 0.7414199807513067
Energy: 0.9324974650973702
Energy: 0.8858428693294921
Energy: 0.3000514277276885
Energy: 0.8759088800095269
Energy: 0.8858428693326663
Energy: 0.3000514277232446
Energy: 0.932497465096389
Energy: 0.8858428693298385
Energy: 0.3000514277235909
Energy: 0.8759088800101618

minimum gb energy = 0.2957984435090523 eV
minimum distance =  2.39491378105697 Angstroms
sigma value = 33


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

Energy: 0.8281756192606995
Energy: 1.0006430913663613
Energy: 0.9987336242840745
Energy: 0.8049796655170491
Energy: 1.0006430913663613
Energy: 0.9987336242858169
Energy: 0.8281756192589569
Energy: 1.0006430913628763
Energy: 0.9987336242840745
Energy: 0.8049796655153065
Energy: 0.9064712606806471
Energy: 0.8174110907165032
Energy: 0.9359655589144549
Energy: 0.9064712606806471
Energy: 0.8174110907182456
Energy: 0.9359655589092271
Energy: 0.9064712606789044
Energy: 0.8174110907147606
Energy: 0.9359655589127122
Energy: 0.9064712606789044
Energy: 0.8865726225189138
Energy: 0.9002585665928521
Energy: 0.9737812373714787
Energy: 0.8865726225171713
Energy: 0.9002585665963373
Energy: 0.973781237369736
Energy: 0.8865726225189138
Energy: 0.9002585665928521
Energy: 0.973781237369736
Energy: 0.8865726225171713
Energy: 1.1384720878207677
Energy: 0.8180436138030956
Energy: 1.0132445807531811
Energy: 1.1384720878207677
Energy: 0.8180436138048381
Energy: 1.0132445807514383
Energy: 1.1384720878207677
Energy: 0.8180436138030956
Energy: 1.0132445807514383
Energy: 1.13847208782251
Energy: 0.9225758055073916
Energy: 0.9140357904457792
Energy: 0.8330853086341733
Energy: 0.9225758055073916
Energy: 0.9140357904457792
Energy: 0.8330853086306882
Energy: 0.9225758055108767
Energy: 0.914035790442294
Energy: 0.8330853086324307
Energy: 0.9225758055108767
Energy: 0.9495437924643257
Energy: 0.9479869292611633
Energy: 0.8977604093778068
Energy: 0.9495437924625832
Energy: 0.9479869292559355
Energy: 0.8977604093725792
Energy: 0.9495437924643257
Energy: 0.9479869292594205
Energy: 0.8977604093743216
Energy: 0.9495437924660681
Energy: 0.8168765606374149
Energy: 0.9196550316753784
Energy: 0.907114691935507
Energy: 0.8168796000410438
Energy: 0.9196550316753784
Energy: 0.9071146919372495
Energy: 0.8168765606374149
Energy: 0.9196550316753784
Energy: 0.9071146919372495
Energy: 0.8168796000393013
Energy: 0.9950557627164626
Energy: 0.8480177398825497
Energy: 0.9281653865605505
Energy: 0.9950557627182051
Energy: 0.8480177398825497
Energy: 0.9281653865570653
Energy: 0.9950557627129775
Energy: 0.8480177398877773
Energy: 0.9281653865588078
Energy: 0.9950557627164626
Energy: 0.8966881260175691
Energy: 0.8080712719035162
Energy: 0.9045875351564058
Energy: 0.8966881260175691
Energy: 0.8080712719052588
Energy: 0.9045875351581483
Energy: 0.8966881260175691
Energy: 0.8080712719070013
Energy: 0.9045875351564058
Energy: 0.8966881260175691
Energy: 0.9261969735859537
Energy: 0.8171746114601685
Energy: 1.063834120087898
Energy: 0.9261969735894388
Energy: 0.8171746114601685
Energy: 1.0638341200861554
Energy: 0.926196973587696
Energy: 0.8171746114636536
Energy: 1.063834120087898
Energy: 0.9261969735842112
Energy: 0.9158445007635401
Energy: 0.9756403670472054
Energy: 0.8074151663620969
Energy: 0.9158445007635401
Energy: 0.9756403670489481
Energy: 0.8074245911703363
Energy: 0.9158445007617975
Energy: 0.9756403670472054
Energy: 0.8074151663586433
Energy: 0.9158445007652826
Energy: 0.8174944217670703
Energy: 1.0955599911564342
Energy: 0.9404382754332864
Energy: 0.8174944217670703
Energy: 1.0956310953286945
Energy: 0.9403039161028279
Energy: 0.8174944217670703
Energy: 1.0955599911581766
Energy: 0.9404382754280588
Energy: 0.8174944217670703
Energy: 0.9505776455332166
Energy: 0.92256869896863
Energy: 0.8726346686817935
Energy: 0.950577645534959
Energy: 0.923092538608368
Energy: 0.8733428251327519
Energy: 0.9505776455367018
Energy: 0.92256869896863
Energy: 0.872634668683536
Energy: 0.9505776455332166
Energy: 0.8157723315920129
Energy: 0.8950245297343626
Energy: 0.9229879539252139
Energy: 0.8157723315920129
Energy: 0.8950245297343626
Energy: 0.9229879539252139
Energy: 0.8157723315920129
Energy: 0.8950245297343626
Energy: 0.9229879539234712
Energy: 0.8157723315937554
Energy: 0.9158525174851118
Energy: 0.8059111528158575
Energy: 0.9938827138565495
Energy: 0.9158525174885969
Energy: 0.8059111528158575
Energy: 0.9938827138548068
Energy: 0.9158525174868545
Energy: 0.8059111528141149
Energy: 0.9938827138565495
Energy: 0.9158525174868545
Energy: 0.9132468075022132
Energy: 0.914716561608045
Energy: 0.8183005512538741
Energy: 0.9132468075004705
Energy: 0.9147165616132727
Energy: 0.8183005512556165
Energy: 0.9132468075004705
Energy: 0.9147165616132727
Energy: 0.8183005512556165
Energy: 0.9132468075004705
Energy: 0.8958543948695933
Energy: 0.9111566950482864
Energy: 0.8982711362490241
Energy: 0.8958543948695933
Energy: 0.9111566950500289
Energy: 0.8982711362507666
Energy: 0.8958543948713358
Energy: 0.9111566950482864
Energy: 0.8982711362490241
Energy: 0.8958543948695933
Energy: 0.8394751183438414
Energy: 1.1061780250765658
Energy: 0.8695851173469108
Energy: 0.839475118342099
Energy: 1.1061780250765658
Energy: 0.8695851173451683
Energy: 0.8394751183403563
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Energy: 0.9898875599020432
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Energy: 0.9898875599020432
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Energy: 0.9266630206791111
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Energy: 0.9344535163688141
Energy: 0.9266630206773686
Energy: 0.9121021594050387
Energy: 0.934453516365329
Energy: 0.9266630206756261
Energy: 0.9244347648315179
Energy: 0.9551032599313639
Energy: 0.8810285088540469
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Energy: 0.9551032599331063
Energy: 0.8810285088540469
Energy: 0.9244347648315179
Energy: 0.9551032599331063
Energy: 0.8810285088488193
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Energy: 0.9757143351494876
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Energy: 0.9757143351477452
Energy: 0.8297134521500041
Energy: 1.1217119127696686
Energy: 0.9757143351477452
Energy: 0.8297134521517466

minimum gb energy = 0.8048228514603322 eV
minimum distance =  2.27461775476149 Angstroms
sigma value = 219


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

Energy: 1.1418645615203118
Energy: 1.3737618279361525
Energy: 1.3739925890552833
Energy: 1.1418645615203118
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Energy: 1.3273536571023936
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Energy: 1.170080355786716
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Energy: 1.2532169982472547
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Energy: 1.193542966794018
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Energy: 1.253216998243795
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Energy: 1.2196813197354581
Energy: 1.373618185166467
Energy: 1.1482230484493714
Energy: 1.2196813197354581
Energy: 1.373618185166467
Energy: 1.1482230484493714
Energy: 1.2196813197354581
Energy: 1.373618185166467
Energy: 1.148223048448218
Energy: 1.2296984192795952
Energy: 1.1876074121943025
Energy: 1.3259118646813806
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Energy: 1.1876074121954558
Energy: 1.3259118646813806
Energy: 1.2296984192795952
Energy: 1.1876074121943025
Energy: 1.3259118646813806
Energy: 1.2296984192795952

minimum gb energy = 1.1418645615203118 eV
minimum distance =  2.35962082407385 Angstroms
sigma value = 15


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

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Energy: 1.616796752770846
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Energy: 1.3607071625083698
Energy: 1.4811474323412976
Energy: 1.4502529018669092
Energy: 1.3138820451904913
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minimum gb energy = 1.2990761262537824 eV
minimum distance =  2.29722350851412 Angstroms
sigma value = 293


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

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Energy: 1.383484958159742
Energy: 1.3148022937435524
Energy: 1.376326021783327
Energy: 1.2559637809000854
Energy: 1.3148022937435524
Energy: 1.376326021783327
Energy: 1.2559637809000854
Energy: 1.3148022937461572
Energy: 1.3763260217859319
Energy: 1.2559637809000854
Energy: 1.3148022937435524
Energy: 1.3627902033643493
Energy: 1.3227195851565217
Energy: 1.2855438232163805
Energy: 1.3627902033669541
Energy: 1.3227195855053928
Energy: 1.2855438232163805
Energy: 1.3627902033669541
Energy: 1.3227195853491915
Energy: 1.2855438232163805
Energy: 1.3627902033669541
Energy: 1.2445805254239775
Energy: 1.6248888964718304
Energy: 1.7194156553942928
Energy: 1.2445805254239775
Energy: 1.6248888964640156
Energy: 1.7194156553942928
Energy: 1.2445805254239775
Energy: 1.6248888964744355
Energy: 1.7194156553995026
Energy: 1.2445805254265825
Energy: 1.363216332111072
Energy: 1.2748654470780079
Energy: 1.3255067430607381
Energy: 1.3632163321084672
Energy: 1.274865447083218
Energy: 1.3255067434148664
Energy: 1.363216332111072
Energy: 1.274865447080613
Energy: 1.3255067427561038
Energy: 1.363216332111072
Energy: 1.314833243813554
Energy: 1.2565238273518242
Energy: 1.3765516865687288
Energy: 1.314833243813554
Energy: 1.2565238273492192
Energy: 1.3765516865687288
Energy: 1.314833243813554
Energy: 1.2565238273492192
Energy: 1.3765516865713336
Energy: 1.314833243813554
Energy: 1.3835846490232038
Energy: 1.2578833752243013
Energy: 1.6523649978204582
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Energy: 1.3835846490232038
Energy: 1.5121085250023314
Energy: 1.261451690490731
Energy: 1.3706705364503622
Energy: 1.5121085250023314
Energy: 1.2614516904933357
Energy: 1.3706705364503622
Energy: 1.5121085250023314
Energy: 1.2614516904933357
Energy: 1.3706705364503622
Energy: 1.5121085250023314
Energy: 1.309966655335679
Energy: 1.3948685915551486
Energy: 1.373069032918583
Energy: 1.3099666552809757
Energy: 1.3948685915551486
Energy: 1.373069032918583
Energy: 1.3099666553643334
Energy: 1.3948685915551486
Energy: 1.373069032918583
Energy: 1.3099666552054803
Energy: 1.2630235707133894
Energy: 1.3665030091563624
Energy: 1.389557046868701
Energy: 1.2630235707133894
Energy: 1.3665030091563624
Energy: 1.389557046868701
Energy: 1.2630235707159945
Energy: 1.3665030091563624
Energy: 1.389557046868701
Energy: 1.2630235707107844
Energy: 1.3965792227433995
Energy: 1.3697612638753103
Energy: 1.3689976399002728
Energy: 1.3965792227433995
Energy: 1.3697612638753103
Energy: 1.3689976399054826
Energy: 1.3965792227433995
Energy: 1.3697612638753103
Energy: 1.3689976399054826
Energy: 1.3965792227433995
Energy: 1.2632948421731434
Energy: 1.3892193765782919
Energy: 1.3661729289292799
Energy: 1.2632948421679335
Energy: 1.3892193765782919
Energy: 1.3661729289292799
Energy: 1.2632948421705383
Energy: 1.3892193765782919
Energy: 1.3661729289292799
Energy: 1.2632948421705383
Energy: 1.3096763637427582
Energy: 1.3730272638241352
Energy: 1.3953388973204155
Energy: 1.3096763637505728
Energy: 1.3730272638241352
Energy: 1.3953388973178105
Energy: 1.3096763637245237
Energy: 1.3730272638241352
Energy: 1.3953388973230203
Energy: 1.3096763637010793
Energy: 1.5125502567724616
Energy: 1.37029564891214
Energy: 1.261293866340943
Energy: 1.5125502567724616
Energy: 1.37029564891214
Energy: 1.261293866340943
Energy: 1.5125502567698568
Energy: 1.37029564891214
Energy: 1.261293866340943
Energy: 1.5125502567724616
Energy: 1.383484958159742
Energy: 1.6523838154999484
Energy: 1.2632856482487453
Energy: 1.383484958159742
Energy: 1.6523838154999484
Energy: 1.2632856482461403
Energy: 1.383484958159742
Energy: 1.6523838154999484
Energy: 1.2632856482435355
Energy: 1.383484958159742

minimum gb energy = 1.2445805254239775 eV
minimum distance =  2.33870420507475 Angstroms
sigma value = 293


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

Energy: 1.1884340014328556
Energy: 1.4120430917042255
Energy: 1.4121720253033319
Energy: 1.1884340014342683
Energy: 1.4120430917042255
Energy: 1.4121720253033319
Energy: 1.1884340014328556
Energy: 1.4120430917046962
Energy: 1.4121720253033319
Energy: 1.188434001434739
Energy: 1.4215674112540793
Energy: 1.1892255636173354
Energy: 1.4178649779509793
Energy: 1.4215674112536083
Energy: 1.189225563618277
Energy: 1.417864977949567
Energy: 1.4215674112540793
Energy: 1.1892255636173354
Energy: 1.4178649779500379
Energy: 1.4215674112531378
Energy: 1.412348863627112
Energy: 1.185611034612808
Energy: 1.3893824153056942
Energy: 1.412348863629466
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Energy: 1.3893824153056942
Energy: 1.412348863627112
Energy: 1.1856110346123374
Energy: 1.3893824153056942
Energy: 1.412348863627112
Energy: 1.3894742274389376
Energy: 1.1858044800780938
Energy: 1.4115344754939183
Energy: 1.3894742274370542
Energy: 1.1858044800766814
Energy: 1.4115344754939183
Energy: 1.3894742274389376
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Energy: 1.4115344754934476
Energy: 1.3894742274379959
Energy: 1.4102882158431245
Energy: 1.1882220390035552
Energy: 1.4212574117227144
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Energy: 1.4102882158407704
Energy: 1.1882220390040257
Energy: 1.4212574117227144
Energy: 1.4102882158388872
Energy: 1.4120430917037545
Energy: 1.412172025305215
Energy: 1.1884340014328556
Energy: 1.4120430917051672
Energy: 1.412172025305215
Energy: 1.188434001434739
Energy: 1.4120430917046962
Energy: 1.412172025304744
Energy: 1.1884340014328556
Energy: 1.4120430917042255
Energy: 1.1892255636178062
Energy: 1.4178649779500379
Energy: 1.42156741125455
Energy: 1.1892255636168645
Energy: 1.417864977949567
Energy: 1.4215674112536083
Energy: 1.1892255636178062
Energy: 1.4178649779490962
Energy: 1.4215674112540793
Energy: 1.1892255636173354
Energy: 1.1856110346118665
Energy: 1.3893824153047525
Energy: 1.4123488636285244
Energy: 1.1856110346118665
Energy: 1.389382415306165
Energy: 1.4123488636355865
Energy: 1.1856110346132787
Energy: 1.3893824153042817
Energy: 1.4123488636355865
Energy: 1.185611034612808
Energy: 1.1858044800785645
Energy: 1.4115344754943893
Energy: 1.3894742274384666
Energy: 1.1858044800785645
Energy: 1.4115344754939183
Energy: 1.3894742274384666
Energy: 1.1858044800771521
Energy: 1.4115344754948602
Energy: 1.3894742274379959
Energy: 1.1858044800790355
Energy: 1.1882220390044964
Energy: 1.4212574117213022
Energy: 1.410288215839358
Energy: 1.1882220390040257
Energy: 1.421257411721773
Energy: 1.4102882158412413
Energy: 1.1882220390044964
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Energy: 1.1882220390040257
Energy: 1.4121720253038026
Energy: 1.1884340014342683
Energy: 1.4120430917042255
Energy: 1.412172025305215
Energy: 1.1884340014328556
Energy: 1.4120430917046962
Energy: 1.4121720253033319
Energy: 1.1884340014342683
Energy: 1.4120430917037545
Energy: 1.412172025304744
Energy: 1.417864977949567
Energy: 1.4215674112536083
Energy: 1.1892255636178062
Energy: 1.4178649779500379
Energy: 1.4215674112540793
Energy: 1.1892255636173354
Energy: 1.4178649779500379
Energy: 1.4215674112536083
Energy: 1.1892255636178062
Energy: 1.417864977949567
Energy: 1.3893824153052232
Energy: 1.412348863632291
Energy: 1.185611034612808
Energy: 1.3893824153056942
Energy: 1.4123488636355865
Energy: 1.185611034612808
Energy: 1.3893824153052232
Energy: 1.412348863635116
Energy: 1.1856110346118665
Energy: 1.3893824153047525
Energy: 1.4115344754939183
Energy: 1.3894742274394083
Energy: 1.185804480077623
Energy: 1.4115344754948602
Energy: 1.3894742274379959
Energy: 1.1858044800785645
Energy: 1.4115344754934476
Energy: 1.3894742274394083
Energy: 1.1858044800780938
Energy: 1.4115344754948602
Energy: 1.4212574117227144
Energy: 1.4102882158421828
Energy: 1.1882220390044964
Energy: 1.4212574117227144
Energy: 1.4102882158398287
Energy: 1.1882220390035552
Energy: 1.4212574117231853
Energy: 1.4102882158384162
Energy: 1.1882220390044964
Energy: 1.421257411721773
Energy: 1.1884340014328556
Energy: 1.4120430917046962
Energy: 1.4121720253038026
Energy: 1.1884340014342683
Energy: 1.4120430917042255
Energy: 1.412172025304273
Energy: 1.1884340014328556
Energy: 1.4120430917042255
Energy: 1.4121720253038026
Energy: 1.188434001434739
Energy: 1.42156741125455
Energy: 1.1892255636173354
Energy: 1.4178649779500379
Energy: 1.4215674112536083
Energy: 1.1892255636178062
Energy: 1.417864977949567
Energy: 1.4215674112540793
Energy: 1.1892255636173354
Energy: 1.4178649779505086
Energy: 1.4215674112540793
Energy: 1.4123488636327617
Energy: 1.1856110346123374
Energy: 1.3893824153042817
Energy: 1.412348863634645
Energy: 1.185611034612808
Energy: 1.3893824153056942
Energy: 1.4123488636275827
Energy: 1.1856110346123374
Energy: 1.3893824153033403
Energy: 1.41234886363182
Energy: 1.3894742274379959
Energy: 1.1858044800780938
Energy: 1.4115344754934476
Energy: 1.3894742274365837
Energy: 1.1858044800771521
Energy: 1.4115344754943893
Energy: 1.3894742274379959
Energy: 1.1858044800799772
Energy: 1.4115344754939183
Energy: 1.3894742274384666
Energy: 1.410288215844537
Energy: 1.1882220390040257
Energy: 1.4212574117222436
Energy: 1.4102882158407704
Energy: 1.1882220390044964
Energy: 1.4212574117222436
Energy: 1.4102882158450076
Energy: 1.1882220390035552
Energy: 1.4212574117227144
Energy: 1.4102882158384162
Energy: 1.4120430917037545
Energy: 1.4121720253033319
Energy: 1.1884340014333266
Energy: 1.4120430917046962
Energy: 1.4121720253033319
Energy: 1.188434001434739
Energy: 1.4120430917037545
Energy: 1.4121720253033319
Energy: 1.1884340014328556
Energy: 1.4120430917042255
Energy: 1.1892255636178062
Energy: 1.417864977949567
Energy: 1.4215674112540793
Energy: 1.1892255636173354
Energy: 1.4178649779500379
Energy: 1.4215674112536083
Energy: 1.1892255636178062
Energy: 1.4178649779490962
Energy: 1.4215674112540793
Energy: 1.1892255636173354

minimum gb energy = 1.1856110346118665 eV
minimum distance =  2.3876461785932 Angstroms
sigma value = 15


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

Energy: 1.4024138711683087
Energy: 1.4988675698639662
Energy: 1.5286005277234063
Energy: 1.373317503591613
Energy: 1.4988675698618321
Energy: 1.5286005277212722
Energy: 1.4024138711640404
Energy: 1.4988675698639662
Energy: 1.5286005277234063
Energy: 1.373317503591613
Energy: 1.583844505715238
Energy: 1.2831924921058895
Energy: 1.3518993027529043
Energy: 1.5838445057173722
Energy: 1.2831924921037552
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Energy: 1.2831924921058895
Energy: 1.3518993027507697
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Energy: 1.3319813972865764
Energy: 1.4078966754368607
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Energy: 1.3319813972844423
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Energy: 1.7136758691926066
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Energy: 1.2869731184903705
Energy: 1.2756828563314049
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Energy: 1.261439353260817
Energy: 1.6034919000582366
Energy: 1.4205442926505563
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Energy: 1.4183997953038343
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Energy: 1.4205442926548248
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Energy: 1.245566167724004
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Energy: 1.4079363104120466
Energy: 1.245179938077576
Energy: 1.6468520299870903
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Energy: 1.245153559295935
Energy: 1.646852029984956
Energy: 1.4079363104141809
Energy: 1.245179938077576
Energy: 1.6468520299892244
Energy: 1.4079363104120466
Energy: 1.4465154378286447
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Energy: 1.2525669170143214
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Energy: 1.3564972878205395
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Energy: 1.3564972878184054
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Energy: 1.2845355274061723
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Energy: 1.4445526347576854
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Energy: 1.4817644437903201
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Energy: 1.4817644437924544
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Energy: 1.5226232068410799
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Energy: 1.3274444712466846
Energy: 1.4086672972450014
Energy: 1.3888384936228317
Energy: 1.327444471248819
Energy: 1.40857245669422
Energy: 1.2611830658034333
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Energy: 1.2389824171792923
Energy: 1.2611830658012992
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Energy: 1.2389824171814265
Energy: 1.2611830658034333
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Energy: 1.2389824171792923
Energy: 1.2611830658012992
Energy: 1.305613789818124
Energy: 1.3782253133864413
Energy: 1.4217482303902518
Energy: 1.3056137898202584
Energy: 1.378225313382173
Energy: 1.4217482303881175
Energy: 1.3056137898138556
Energy: 1.3782253133843072
Energy: 1.4217482303923858
Energy: 1.305613789818124
Energy: 1.261795369596025
Energy: 1.5722208261956938
Energy: 1.4425937611139696
Energy: 1.261798840884059
Energy: 1.5722208261956938
Energy: 1.4425937611118353
Energy: 1.2617953695938908
Energy: 1.5722208261956938
Energy: 1.4425937611139696
Energy: 1.2617988408819247
Energy: 1.2887876448786881
Energy: 1.2391296995120895
Energy: 1.314785524816937
Energy: 1.2887876448808224
Energy: 1.2391296995099554
Energy: 1.314785524816937
Energy: 1.2887876448808224
Energy: 1.2391296995099554
Energy: 1.3147855248148026
Energy: 1.2887876448850906
Energy: 1.4272594229937776
Energy: 1.264473841248922
Energy: 1.628841617552222
Energy: 1.4272594229937776
Energy: 1.2644738412403853
Energy: 1.6288416175479536
Energy: 1.4272594229916822
Energy: 1.264473841236117
Energy: 1.6288416175500877
Energy: 1.427259422989548
Energy: 1.6051806960968058
Energy: 1.2428498712795362
Energy: 1.3003252974762767
Energy: 1.385627024159385
Energy: 1.242877757610699
Energy: 1.3003252974784107
Energy: 1.6051806960946715
Energy: 1.2428498712774019
Energy: 1.3003252974784107
Energy: 1.385627024157251
Energy: 1.3731763375356822
Energy: 1.3402851191199585
Energy: 1.3195619879122813
Energy: 1.3731763375314139
Energy: 1.3402851191199585
Energy: 1.3195619879122813
Energy: 1.3731763375378163
Energy: 1.3402851191220928
Energy: 1.3195619879144156
Energy: 1.3731763375356822
Energy: 1.3847219228168082
Energy: 1.4211583097125249
Energy: 1.2464307809542117
Energy: 1.3847219228189422
Energy: 1.4211583097082567
Energy: 1.2464960810877819
Energy: 1.3847219228232106
Energy: 1.4211583097103908
Energy: 1.246430780956346
Energy: 1.3847219228210765
Energy: 1.2702844347088025
Energy: 1.5181482426114132
Energy: 1.2384144318902672
Energy: 1.2702844347109365
Energy: 1.5181482426114132
Energy: 1.2384144318859989
Energy: 1.2702844347130708
Energy: 1.5181482426135473
Energy: 1.2384144318795964
Energy: 1.2702844347109365
Energy: 1.408189444845769
Energy: 1.5063089092040642
Energy: 1.3447111365749957
Energy: 1.378962494865659
Energy: 1.5063089092083326
Energy: 1.3447111365749957
Energy: 1.4081894448499985
Energy: 1.5063089092061985
Energy: 1.3447111365749957
Energy: 1.378962494865659
Energy: 1.3854538599859236
Energy: 1.3574124439219215
Energy: 1.5585208179754593
Energy: 1.259222760317097
Energy: 1.3574124439240558
Energy: 1.5670091171044138
Energy: 1.3854538599859236
Energy: 1.3574124439261899
Energy: 1.558520817973325
Energy: 1.259222760317097
Energy: 1.2437075948413696
Energy: 1.5898824912968483
Energy: 1.4182094586708036
Energy: 1.2437075948392355
Energy: 1.5898824912989824
Energy: 1.4182094586729377
Energy: 1.243707594843504
Energy: 1.5898824912989824
Energy: 1.4182094586708036
Energy: 1.243707594843504
Energy: 1.5271217337693679
Energy: 1.2488643298997162
Energy: 1.546247467961178
Energy: 1.5271217337779046
Energy: 1.2488643299018503
Energy: 1.5462474679590437
Energy: 1.5271217337715022
Energy: 1.2488643299018503
Energy: 1.5462474679590437
Energy: 1.5271217337757703
Energy: 1.3653830208553746
Energy: 1.491185630321778
Energy: 1.2597175010091184
Energy: 1.3653830208532403
Energy: 1.4911856303239124
Energy: 1.2598151412466214
Energy: 1.3653830208553746
Energy: 1.491185630321778
Energy: 1.2597175010091184
Energy: 1.3653830208553746
Energy: 1.4584221330424552
Energy: 1.3557510241385111
Energy: 1.2444103330011564
Energy: 1.4584221330424552
Energy: 1.3557510241385111
Energy: 1.244410333005425
Energy: 1.4584221330445895
Energy: 1.3557510241406452
Energy: 1.2444103330011564
Energy: 1.4584221330424552
Energy: 1.4049559007017665
Energy: 1.5338838861205488
Energy: 1.2618054006914712
Energy: 1.4049559007017665
Energy: 1.533883886122683
Energy: 1.2618054006936053
Energy: 1.4049559006996322
Energy: 1.5338838861205488
Energy: 1.2618054006936053
Energy: 1.4049559007017665
Energy: 1.5307907183980225
Energy: 1.4057057042275745
Energy: 1.2746544298570286
Energy: 1.5307907183980225
Energy: 1.4057057042297088
Energy: 1.2746544298548945
Energy: 1.5307907183980225
Energy: 1.405705704231843
Energy: 1.2746544298591629
Energy: 1.5307907183980225
Energy: 1.2629260355319865
Energy: 1.373105353863946
Energy: 1.332900353041278
Energy: 1.2629260355319865
Energy: 1.3731053538618119
Energy: 1.3329003530370096
Energy: 1.262926035529852
Energy: 1.3731053538660802
Energy: 1.3329003530391437
Energy: 1.262926035529852
Energy: 1.4718804678173185
Energy: 1.3643160263901442
Energy: 1.3909229217176657
Energy: 1.4718804678130502
Energy: 1.364302926312714
Energy: 1.3906823534983441
Energy: 1.471880467810916
Energy: 1.3643160263880099
Energy: 1.3909229217155314
Energy: 1.4718804678130502
Energy: 1.5566670126470115
Energy: 1.2453985432692738
Energy: 1.4110978874379903
Energy: 1.5566670126448774
Energy: 1.2453985432692738
Energy: 1.411097887435856
Energy: 1.5566670126470115
Energy: 1.2453985432692738
Energy: 1.411097887435856
Energy: 1.5566670126470115
Energy: 1.4134665058280254
Energy: 1.3805915153046502
Energy: 1.4125925410897722
Energy: 1.4134665058280254
Energy: 1.3805915153067843
Energy: 1.4125925410897722
Energy: 1.4134665058301596
Energy: 1.3805915153046502
Energy: 1.4125925410897722
Energy: 1.4134665058258913
Energy: 1.4925555159298505
Energy: 1.2452969735475246
Energy: 1.5849858240831634
Energy: 1.4925555159298505
Energy: 1.245296956788803
Energy: 1.584985824078895
Energy: 1.4925555159319845
Energy: 1.2452969735453905
Energy: 1.5849858240852974
Energy: 1.4925555159319845
Energy: 1.3521874603459123
Energy: 1.2669050150252845
Energy: 1.447075589162701
Energy: 1.352187460343778
Energy: 1.2669050150252845
Energy: 1.447075589162701
Energy: 1.352187460343778
Energy: 1.2669050150252845
Energy: 1.4470755891605669
Energy: 1.3521874603480464
Energy: 1.371606645753469
Energy: 1.2813123848994379
Energy: 1.252651748855026
Energy: 1.3716066457598717
Energy: 1.2813123849015722
Energy: 1.2526516621601667
Energy: 1.371606645755603
Energy: 1.2813123848994379
Energy: 1.252651748859294
Energy: 1.3716066457577374
Energy: 1.262163637107336
Energy: 1.3361335612711047
Energy: 1.4510731288667822
Energy: 1.262163637107336
Energy: 1.3361335612647023
Energy: 1.4510731288689163
Energy: 1.2621636371052019
Energy: 1.3361335612625682
Energy: 1.4510731288689163
Energy: 1.2621636371052019
Energy: 1.3192034862831548
Energy: 1.5073991225147985
Energy: 1.4790126131206103
Energy: 1.3191039953645611
Energy: 1.507399122512703
Energy: 1.4790126131227446
Energy: 1.3192034862810207
Energy: 1.507399122512703
Energy: 1.4790126131206103
Energy: 1.3191039953645611

minimum gb energy = 1.2384144318795964 eV
minimum distance =  2.27831585861295 Angstroms
sigma value = 437


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

Energy: 1.1928415896766884
Energy: 1.402130460237396
Energy: 1.3987664175747552
Energy: 1.1928415896752038
Energy: 1.402130460237396
Energy: 1.3987664175739776
Energy: 1.1928415896759108
Energy: 1.4021304602366185
Energy: 1.3987664175739776
Energy: 1.1928415896752038
Energy: 1.7460250038862357
Energy: 1.1899415845657628
Energy: 1.3273020649025546
Energy: 1.7460250038877905
Energy: 1.189941584567318
Energy: 1.327302064900222
Energy: 1.7460250038862357
Energy: 1.1899415845657628
Energy: 1.3273020649025546
Energy: 1.746025003887013
Energy: 1.4004380538891543
Energy: 1.1861669926741356
Energy: 1.4213559712814297
Energy: 1.4004380538907095
Energy: 1.1861669926725806
Energy: 1.4213559712798747
Energy: 1.400438053889932
Energy: 1.1861669926749132
Energy: 1.4213559712814297
Energy: 1.4004380538907095
Energy: 1.3992219547587448
Energy: 1.499998568827019
Energy: 1.223122920205232
Energy: 1.399221954759522
Energy: 1.4999985688246866
Energy: 1.223122920205232
Energy: 1.399221954759522
Energy: 1.4999985688231312
Energy: 1.223122920205232
Energy: 1.399221954759522
Energy: 1.2903847645330508
Energy: 1.1944401028970588
Energy: 1.6221788860335933
Energy: 1.290384764531496
Energy: 1.1944401028962814
Energy: 1.6221788860320383
Energy: 1.2903847645330508
Energy: 1.1944401028962814
Energy: 1.6221788860335933
Energy: 1.2903847645322735
Energy: 1.2229121669401568
Energy: 1.5558696522842235
Energy: 1.185427083572639
Energy: 1.2229121669386014
Energy: 1.555869652280336
Energy: 1.185427083572639
Energy: 1.222912166940934
Energy: 1.5558696522842235
Energy: 1.185427083572639
Energy: 1.2229121669378238
Energy: 1.465757600126688
Energy: 1.2866378608331979
Energy: 1.1852093437441913
Energy: 1.4657576001243555
Energy: 1.3334390655847626
Energy: 1.1852093437449687
Energy: 1.5643144318267392
Energy: 1.2779610883972143
Energy: 1.1852093437434137
Energy: 1.4657576001212453
Energy: 1.3429706826660646
Energy: 1.64080102779662
Energy: 1.3620553647587996
Energy: 1.3429706826645096
Energy: 1.64080102779662
Energy: 1.3620553647611322
Energy: 1.3429706826645096
Energy: 1.6408010277973977
Energy: 1.3620553647587996
Energy: 1.3429706826645096
Energy: 1.7136411484994942
Energy: 1.3248660152213614
Energy: 1.1942703167122615
Energy: 1.7136411484979392
Energy: 1.324866015223694
Energy: 1.1942703167122615
Energy: 1.7136411485002716
Energy: 1.324866015222139
Energy: 1.1942703167122615
Energy: 1.7136411485010492
Energy: 1.3617687132351772
Energy: 1.2504350574629428
Energy: 1.374775285247018
Energy: 1.3617687132359548
Energy: 1.2504350574652754
Energy: 1.374746948913085
Energy: 1.3617687132351772
Energy: 1.2504350574613876
Energy: 1.374709525936527
Energy: 1.3617687132359548
Energy: 1.3747545604674833
Energy: 1.1915791165325347
Energy: 1.3026320562122982
Energy: 1.374754560468261
Energy: 1.1915791165309797
Energy: 1.222726022428621
Energy: 1.374754560468261
Energy: 1.3820071054881042
Energy: 1.2227260224278436
Energy: 1.374754560468261
Energy: 1.2315877208700035
Energy: 1.1893567919926529
Energy: 1.2416252923700202
Energy: 1.2315877208567856
Energy: 1.1893567919910977
Energy: 1.2416252923684652
Energy: 1.2315877208700035
Energy: 1.1893567919934303
Energy: 1.2416252923692426
Energy: 1.2315877208738912
Energy: 1.192614667633638
Energy: 1.7034226667041512
Energy: 1.1929754872712708
Energy: 1.192614667635193
Energy: 1.7034226667025958
Energy: 1.1929754872712708
Energy: 1.192614667633638
Energy: 1.7034226667041512
Energy: 1.1929754872712708
Energy: 1.192614667635193
Energy: 1.2998569358701095
Energy: 1.1917876933544174
Energy: 1.23374405420998
Energy: 1.2998569358716645
Energy: 1.19178769335675
Energy: 1.2337440542092026
Energy: 1.299856935872442
Energy: 1.1917876933544174
Energy: 1.2337440542092026
Energy: 1.299856935870887

minimum gb energy = 1.1852093437434137 eV
minimum distance =  2.30389053484805 Angstroms
sigma value = 33