Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658364951610565
cohesive_energy=4.002359338941917
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.015087065690307228
Energy: 1.0653685418708996
Energy: 0.015087065690001011
Energy: 1.0653685418727028
Energy: 0.015087065690307228
Energy: 1.0653685418735876
Energy: 1.0653685418712058
Energy: 0.015537400390469157
Energy: 1.0653685418721246
Energy: 0.015537400440450653
Energy: 1.0653685418733154
Energy: 0.01553740047549554
Energy: 0.015087065690307228
Energy: 1.0653685418723968
Energy: 0.015087065690307228
Energy: 1.0653685418715122
Energy: 0.015087065690307228
Energy: 1.065368541873009
Energy: 1.0653685418721246
Energy: 0.01553740050958775
Energy: 1.0653685418715122
Energy: 0.015537400421601266
Energy: 1.0653685418718184
Energy: 0.01553740051227566
Energy: 0.015087065690307228
Energy: 1.065368541873009
Energy: 0.015087065690307228
Energy: 1.0653685418727028
Energy: 0.015087065690307228
Energy: 1.065368541873009
Energy: 1.065368541873009
Energy: 0.015537400506899843
Energy: 1.0653685418733154
Energy: 0.01553740045603372
Energy: 1.0653685418742
Energy: 0.015537400451542529

minimum gb energy = 0.015087065690001011 eV
minimum distance =  2.58181699586905 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.6959276950141131
Energy: -2.597416535772721
Energy: 0.6959276950104946
Energy: -2.801484531140331
Energy: 0.6959276950141131
Energy: -2.776758147195949
Energy: -2.4454772546194694
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Energy: -3.8799652444401613
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Energy: -4.50451639658634
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Energy: -2.379158749206443
Energy: -2.58626863888582
Energy: 0.45585341318969075
Energy: -2.5557961259965234
Energy: -4.381535946180539
Energy: -2.610677483521569
Energy: -2.939508411565235
Energy: -2.731837448948106
Energy: -2.3255706711129935
Energy: -3.61761309762917
Energy: -2.341052838708187
Energy: -3.1527905831882213
Energy: -2.4321188617537137
Energy: -2.8128568686463122
Energy: -2.479663588809489
Energy: -2.5582369724706298
Energy: -2.819074935242092
Energy: -4.042954871044483
Energy: -2.3771538795603138
Energy: 0.37676016039054144
Energy: -2.3283766354834503
Energy: -2.4364156923677247
Energy: -2.393234712684894
Energy: -2.4934020962857417
Energy: -2.4537208531676074
Energy: -2.6791898492341533
Energy: -3.088062432378718
Energy: -2.6736422945986815
Energy: -2.5166263265136166
Energy: -2.66351092451155
Energy: -2.5053241425296675
Energy: -2.710182056707641
Energy: -3.124002479407528
Energy: -2.7318291614745527
Energy: -2.537781191140639
Energy: -2.855721234920379
Energy: -2.4959321683535736

minimum gb energy = -4.508084383958749 eV
minimum distance =  2.31856918673576 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: -2.5180146254964844
Energy: -2.030127075076125
Energy: -2.1114665590252715
Energy: -1.9279204541061468
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Energy: 0.38519247863045836
Energy: -2.5507981305470464
Energy: 0.38519247863297396
Energy: -4.593779661340556
Energy: -2.186810767883268
Energy: -3.5100100464821113
Energy: -3.651536792232399
Energy: -2.386784689273014
Energy: -3.065210051309561
Energy: -1.921791755926661
Energy: -2.29667260745529
Energy: -1.8844257470699841
Energy: -2.1988345677863768
Energy: -2.026607516255361
Energy: -2.1850140325791574
Energy: 0.5834862987307893
Energy: -2.127779275964997
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Energy: 0.583486192972522
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Energy: -1.98655744685038
Energy: -2.840487551053715
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Energy: -1.9571779984130993
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Energy: -2.308386025430517
Energy: 0.3104927417767406
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Energy: 0.37570944670553386
Energy: -2.1963702584781117
Energy: 0.3757094467051146
Energy: -1.9795333531475203

minimum gb energy = -4.6497002302124475 eV
minimum distance =  2.30736051716013 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.6409355025788545
Energy: -1.7698954906564026
Energy: 0.6409355022176617
Energy: -1.7630143070017579
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Energy: -1.4539259412503747
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Energy: -1.5136647515997805
Energy: -1.652048478463082
Energy: -1.5525379388407272
Energy: -1.8456756766558071

minimum gb energy = -2.204215588934829 eV
minimum distance =  2.30923082261296 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.45131399525762156
Energy: 0.1540169959368757
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Energy: 0.4627486345971854
Energy: 0.14897398883798132
Energy: 0.46274863461043847
Energy: 0.14897398889442467
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Energy: 0.1489739888811716
Energy: 0.1407599379857721
Energy: -1.438671572314301
Energy: 0.13988914816045073
Energy: -1.5373980807260808
Energy: 0.14078594625646448
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Energy: 0.7976230495907439
Energy: 0.682126015205615
Energy: 0.7976204552620546
Energy: 0.6821254440865928
Energy: 0.7976155217843822
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Energy: 0.45131399525819776
Energy: 0.15401699591382692
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Energy: 0.7969243945449109
Energy: -1.4538313958423992
Energy: -1.2708584642198808
Energy: -1.63234338142431
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Energy: -1.3764655756591875
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Energy: -1.3027652274912318
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Energy: -1.4450630109492821
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Energy: 0.15035531913941794
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Energy: 0.15035531828870785
Energy: 0.46274012204375575
Energy: 0.1503553201600081
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Energy: 0.4442367390851715
Energy: 0.3205172235818762
Energy: 0.44423673909150996
Energy: 0.3155752665194728
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Energy: 0.3155752627572547
Energy: 0.4446175740012421
Energy: 0.3155752624128324
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Energy: 0.46274863460467625
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Energy: 0.4627486346035238
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Energy: 0.4627486346023714
Energy: 0.14897398887944296
Energy: 0.14078263768626445
Energy: -1.4246473565146434
Energy: 0.14079222648379977
Energy: -1.5595644259768624
Energy: 0.14074586753709017
Energy: -1.3891875260061866
Energy: 0.797623409170858
Energy: 0.682125978318009
Energy: 0.7976209650103858
Energy: 0.682125466095311
Energy: 0.7976151388028524
Energy: 0.6821246823954443
Energy: 0.451313995258774
Energy: 0.15401699593168974
Energy: 0.45131399525762156
Energy: 0.15401699590060008
Energy: 0.451313995258774
Energy: 0.15401699593745194
Energy: 0.7969349372978692
Energy: -1.350388471316373
Energy: 0.7969247225339798
Energy: -1.576262842240287
Energy: -1.3455711440227875
Energy: -1.5633720784162586
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Energy: -1.456793967387121
Energy: 0.1472955433767249
Energy: -1.5392868724850262
Energy: 0.14729599103788812
Energy: -1.223498137429022

minimum gb energy = -1.63234338142431 eV
minimum distance =  2.30440371926404 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.34186102544798547
Energy: 0.0933913036783688
Energy: 0.341861025446574
Energy: 0.0933913036783688
Energy: 0.34186102544798547
Energy: 0.09339130367978024
Energy: -1.5765407569446444
Energy: -0.08780193505976072
Energy: -1.3204368736992447
Energy: -0.09401847351116194
Energy: -1.5670295050382186
Energy: -0.0900542664609342
Energy: -0.0075915795659471305
Energy: 0.46737746868130586
Energy: -0.00759157954759835
Energy: 0.4673774686827173
Energy: -0.007591579544775461
Energy: 0.4673774686840967
Energy: -0.6207483289262394
Energy: 0.09615156842153731
Energy: -0.18344489963664587
Energy: 0.09615156842436019
Energy: -0.697829271891737
Energy: 0.09615156842153731
Energy: 0.0584577924583962
Energy: 0.0931755892355241
Energy: 0.054568983536249484
Energy: 0.09317558923270122
Energy: 0.059318440705257325
Energy: 0.0931755892355241
Energy: -0.7302175418928551
Energy: -1.9089710312145591
Energy: -0.7036301469229613
Energy: -1.8851070727540287
Energy: -0.721652403625954
Energy: -1.5570795670749162
Energy: 0.0871825651150264
Energy: -0.0895956757841544
Energy: 0.08718256511643784
Energy: -0.08990464202592247
Energy: 0.0871825651150264
Energy: -0.09072274449573894
Energy: 0.306650759883768
Energy: 0.0910179628690025
Energy: 0.3066507598894138
Energy: 0.09101796287041394
Energy: 0.306650759896439
Energy: 0.09101796287182538
Energy: 0.12069721284382262
Energy: -0.007116788687177405
Energy: 0.12104255213166212
Energy: -0.007116788702671219
Energy: 0.1239112988762985
Energy: -0.007116788732311557
Energy: 0.1293315442909332
Energy: -1.3541565642378168
Energy: 0.12933154429375607
Energy: -1.1808691333277868
Energy: 0.1293315442881103
Energy: -1.3400276247372502
Energy: 0.09413504839254545
Energy: 0.09592108315968972
Energy: 0.09413504839113401
Energy: 0.09592108315548746
Energy: 0.0941350483967798
Energy: 0.09592108315968972
Energy: -0.4776593731486305
Energy: -0.23650307153884564
Energy: -0.49969150632174275
Energy: -0.13327861851686576
Energy: -0.5877097583706916
Energy: -0.7670983207858937

minimum gb energy = -1.9089710312145591 eV
minimum distance =  2.33370717926186 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.2851271892820176
Energy: -5.488495981832073
Energy: 0.28514886995981015
Energy: -3.5492051814130186
Energy: 0.2852276706497546
Energy: -4.28685803805867
Energy: -5.663494255543193
Energy: -5.1711341738115255
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Energy: -4.515134362573054
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Energy: -3.294493045955243
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Energy: -2.6475839431312362
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Energy: -2.9167646080262277
Energy: -0.13529216442966302
Energy: -3.1194555534211994
Energy: -4.699893573232501
Energy: 0.07923146972215338
Energy: -4.455284663138211
Energy: 0.07923146971739438
Energy: -4.489603092007734
Energy: 0.07923146971937729
Energy: -6.039914395055196
Energy: -6.0648216060719715
Energy: -5.301061154691798
Energy: -6.229313332986886
Energy: -3.5789480105510707
Energy: -4.747686363139054
Energy: -5.169705098144455
Energy: -5.8184126827935785
Energy: -5.610703668665549
Energy: -3.271762703572505
Energy: -5.701452265117677
Energy: -3.4061498482102315
Energy: -5.79732623265032
Energy: -2.8977107189376494
Energy: -4.392798896042912
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Energy: -3.271614749002824
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Energy: -6.2165059051257465
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Energy: -5.966269500298969
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Energy: -2.425591278458883
Energy: -2.9000460608490672
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Energy: 0.05347216931986898
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Energy: -2.480032693849136
Energy: -3.4955966455156697
Energy: -2.591821970343046
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Energy: -0.04513454083077983
Energy: -2.938518165635326
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Energy: -0.04513454084029779
Energy: -3.0692094168789654
Energy: -3.813316278810824
Energy: -2.2728173832545537
Energy: -5.111981026229508
Energy: -2.4251019171689
Energy: -5.999953883248502
Energy: -2.709372223980601
Energy: -0.04561041010645468
Energy: -3.003481001671336
Energy: -0.045610410089798256
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Energy: -0.04561041008464269
Energy: -2.936125686171416
Energy: -3.1634273223127427
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Energy: -3.395839676039429
Energy: -3.998394526073019
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Energy: -4.955950690831221
Energy: -2.594229234633861
Energy: -6.0431454347509685
Energy: -2.674852606576684
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Energy: -5.714128030103117
Energy: -2.7714963136059967
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Energy: -2.9134331378606637
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Energy: -5.371554698751535
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Energy: -4.102758866743514
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Energy: -5.700351585555864
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Energy: -5.84571769305518
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Energy: -3.5374084337727263
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Energy: -5.211783751881654
Energy: -3.963124878318302
Energy: -5.914253549152193
Energy: -6.15991516231902
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Energy: -5.678201512473342
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Energy: -6.023264212416482
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Energy: -0.13522925587120038
Energy: -3.290841280050429
Energy: -0.13522915107386843
Energy: -2.781265355105311
Energy: -0.13522905619890288
Energy: -3.3623788385455846
Energy: -5.877847610417177
Energy: 0.20959098422847328
Energy: -5.425946944635956
Energy: 0.20959098423283568
Energy: -3.5531505749377112
Energy: 0.2095909842316459
Energy: 0.2851282450679971
Energy: -4.197188395343987
Energy: 0.28515052446582273
Energy: -5.047053485466629
Energy: 0.28522683034075536
Energy: -4.139782675838517
Energy: -5.684707854457981
Energy: -3.166174372425912
Energy: -4.136599076600595
Energy: -3.5763228919497925
Energy: -4.833855541680061
Energy: -4.514183974340273
Energy: -0.13529236016487747
Energy: -2.7866778703576593
Energy: -0.13529247698761268
Energy: -3.2377712777561523
Energy: -0.1352920317209818
Energy: -2.847120941385485
Energy: -4.896319882343187
Energy: 0.07923146973206792
Energy: -4.034507421778487
Energy: 0.07923146973801665
Energy: -5.790379534009603
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Energy: -4.08220092533184
Energy: -6.584211164187815
Energy: -5.4812278048067
Energy: -2.761887611423554
Energy: -5.081142720349849
Energy: -5.018064658284815

minimum gb energy = -6.625743014087402 eV
minimum distance =  2.27724623431015 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.3731828258838374
Energy: 0.10064320060429173
Energy: 0.3731828258847401
Energy: 0.10064320028307222
Energy: 0.3731828258838374
Energy: 0.10064320032094723
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Energy: -0.6324284672276382
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Energy: -0.6323391041638771
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Energy: -0.6332313932170558
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Energy: 0.23112787223540843
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Energy: 0.2311278743505412
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Energy: 0.07509628692679723
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Energy: 0.0743148208025951
Energy: 0.039921042121893936
Energy: 0.07447057795062587
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Energy: 0.40905345138419363
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Energy: 0.03571906664233128
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Energy: 0.2523526750158406
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Energy: 0.2523771868985113
Energy: 0.40900621458217534
Energy: 0.40695237823535435
Energy: 0.40900621458217534
Energy: 0.4069523782344515
Energy: 0.40900621458217534
Energy: 0.40695237823535435
Energy: 0.12247866403117717
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Energy: 0.12254992593655027
Energy: 0.04089506566663768
Energy: 0.12255669379418291
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Energy: 0.23478431252445212
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Energy: 0.23478431308572453
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Energy: -0.6328165269585684
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Energy: -0.6802690780767598
Energy: 0.4086024317313832
Energy: -0.5812861351884705
Energy: 0.3731828258847401
Energy: 0.10064320032816934
Energy: 0.3731828258838374
Energy: 0.10064320027494734
Energy: 0.3731828258847401
Energy: 0.10064320032726659
Energy: 0.4086371904246645
Energy: -0.6323259874912359
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Energy: -0.632335424209721
Energy: 0.40863719042647
Energy: -0.6322588084429221
Energy: 0.23112787667683848
Energy: 0.23414709675936426
Energy: 0.2311278735573818
Energy: 0.234147097593148
Energy: 0.23112787447237318
Energy: 0.23414709652928276
Energy: 0.07408803954149258
Energy: 0.03992104214626855
Energy: 0.07471687097796638
Energy: 0.0399210421399492
Energy: 0.07468007018209918
Energy: 0.03992104215800446
Energy: 0.4090534513850964
Energy: 0.4063943758122184
Energy: 0.40905345138690197
Energy: 0.4063943758122184
Energy: 0.4090534513814854
Energy: 0.4063943758122184
Energy: 0.035719066615248395
Energy: 0.2514193103176812
Energy: 0.03571906660983181
Energy: 0.25141931499551207
Energy: 0.0357190665818872
Energy: 0.25141931300311404
Energy: 0.03571173308571376
Energy: 0.2523526151802132
Energy: 0.03571277206196207
Energy: 0.2523725715276676
Energy: 0.03571724059864182
Energy: 0.2523488400990421
Energy: 0.4090062145830782
Energy: 0.40695237823535435
Energy: 0.40900621458398095
Energy: 0.4069523782344515
Energy: 0.4090062145830782
Energy: 0.40695237823535435

minimum gb energy = -0.6802690780767598 eV
minimum distance =  2.47407052644289 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: -3.3785562532093643
Energy: 0.16385366686371647
Energy: -3.3422620840975723
Energy: 0.1638536999242223
Energy: -3.67934441548937
Energy: 0.16385380317015985
Energy: -3.627265723671319
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minimum gb energy = -4.419767904930632 eV
minimum distance =  2.3185686169017 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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minimum gb energy = -3.2130266178209412 eV
minimum distance =  2.34779453524242 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: -0.007922142130684819

minimum gb energy = -5.278115137445619 eV
minimum distance =  2.39355745375477 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: -0.022541558116207575
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Energy: -0.06380071640201844
Energy: 0.335294241473269

minimum gb energy = -0.5483893154093828 eV
minimum distance =  2.41741641637788 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -6.110295432252199 eV
minimum distance =  2.29236911142625 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -0.7379767651592571
Energy: -1.5795285437215345
Energy: -0.7379767651574306
Energy: -1.4670336046448893
Energy: -0.7824783827969399
Energy: -1.1109712350534573
Energy: -0.7824783827061181
Energy: -1.1061027322247894
Energy: -0.7824783827572572
Energy: -1.1049925577932584
Energy: -1.2526146473596922
Energy: -0.234488644165913
Energy: -1.2490742071149668
Energy: -0.23448864433846628
Energy: -1.2417520272865565
Energy: -0.23448864421248622
Energy: -1.5979439729356986
Energy: -0.7801496312322072
Energy: -0.9708861954684407
Energy: -0.7803412450939425
Energy: -0.9568290929874652
Energy: -0.7798810047091641
Energy: -0.7113958189353236
Energy: -0.7602293107260113
Energy: -0.7113951007974036
Energy: -0.7602293107278377
Energy: -0.7113967033496892
Energy: -0.7602293107214453
Energy: -0.9773335086441884
Energy: -0.793428842064051
Energy: -0.9773335086432752
Energy: -0.7934288420649641
Energy: -0.9773335086437318
Energy: -0.7934288420672472

minimum gb energy = -3.06058514867267 eV
minimum distance =  2.39757980183675 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -0.2276044229377508
Energy: -0.5606397188081318
Energy: -0.22760442293270317
Energy: -0.5606397188165191
Energy: -0.22760442293606825
Energy: -0.5606397188120578
Energy: -0.4606146694790375
Energy: -0.5846875695175452
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Energy: -0.5846875695124973
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Energy: -0.5846875695085715
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Energy: -0.7695829810467071
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Energy: -0.2113171428654211
Energy: -0.566070071573437
Energy: -0.7484223933016524
Energy: -0.5660670567639181
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Energy: -0.2252379638760551
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Energy: -0.7290458411343336
Energy: -0.43878460377933354
Energy: -0.7352730507176609
Energy: -0.4387846038292238
Energy: -0.7472084261611248
Energy: -2.7523627016582233
Energy: -0.7559075121011415
Energy: -2.680536590554462
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Energy: -0.7559075121017023
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Energy: -0.35738224917689587
Energy: -0.885633256251174
Energy: -0.353990283950649
Energy: -0.8855589404479065
Energy: -0.3507417473910829
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Energy: -0.7666653495582934
Energy: -0.4657832780548772
Energy: -0.748853157039858
Energy: -0.4647183846005847
Energy: -0.7546181437127432
Energy: -0.4320641294372321
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Energy: -0.5194264936318543
Energy: -3.0414212661269073
Energy: -0.5194264933184914
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Energy: -0.5617696571851598
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Energy: -0.5534228083192614
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Energy: -0.3959335825889832
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Energy: -0.5845617878239892
Energy: -0.5852339478791662
Energy: -0.5780685174795022
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Energy: -0.4963974800216931
Energy: -0.6908690202347161
Energy: -0.49639747958611563
Energy: -0.6908689451431587
Energy: -0.4963974779160791
Energy: -0.690868569326631
Energy: -0.33220396179635386
Energy: -1.0357617308193758
Energy: -0.3609997328497833
Energy: -1.0351293346808725
Energy: -0.34972380694146465
Energy: -1.0349977897782032
Energy: -0.7586532892105002
Energy: -0.3823332855572771
Energy: -0.7586532892110611
Energy: -0.3823332855583988
Energy: -0.7586532892105002
Energy: -0.3823332855617639
Energy: -1.1402035232147572
Energy: -0.4543203141219024
Energy: -2.4786612294788797
Energy: -0.45432031412916796
Energy: -1.899190626835685
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Energy: -0.39086271492415
Energy: -0.557274811796851
Energy: -0.39086271491966323
Energy: -0.5572748117962901
Energy: -0.3908627149224675
Energy: -0.5572748117979727
Energy: -0.35126803988622823
Energy: -0.7284804152929736
Energy: -0.35519858638212365
Energy: -0.728480415100678
Energy: -0.3574412726793975
Energy: -0.7284804147861934
Energy: -0.8440055892545704
Energy: -0.5546064599574375
Energy: -0.8417231985844406
Energy: -0.5546064598946477
Energy: -0.844316673537379
Energy: -0.5546064598111063
Energy: -0.7277425705937532
Energy: -0.7579506381979256
Energy: -0.6557330420423811
Energy: -0.7579506381872694
Energy: -0.7528293983109398
Energy: -0.7579506382029478
Energy: -0.4243413693902512
Energy: -0.769139944089488
Energy: -0.4243413693868861
Energy: -0.760891170595508
Energy: -0.42434136941658573
Energy: -0.7595764313345783
Energy: -0.39345022213506037
Energy: -0.49882205793308765
Energy: -0.3934502221356213
Energy: -0.4988220574750762
Energy: -0.39345022213730385
Energy: -0.49882205652484124
Energy: -0.6582056347823957
Energy: -0.42939195914309813
Energy: -0.6461878471117994
Energy: -0.42939195914870665
Energy: -0.6630661178516236
Energy: -0.4293919591503892

minimum gb energy = -3.0414212661269073 eV
minimum distance =  2.39555373824069 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -0.6719334920739769
Energy: -1.1493547931465857
Energy: -0.7478255198811493
Energy: -1.1493540922751417
Energy: -0.6719334920790602
Energy: -1.1493531249608446
Energy: -0.8255450982159066
Energy: -2.6686208230299555
Energy: -0.8166450471685058
Energy: -2.6686208216515293
Energy: -0.8284590693056473
Energy: -2.668620818820673
Energy: -1.3615648402394538
Energy: -0.7526605607397407
Energy: -1.3341638819131643
Energy: -0.7526605567997727
Energy: -1.361564848123747
Energy: -0.7526605595442467
Energy: -0.7445118680736922
Energy: -1.0966511428917507
Energy: -0.7445118659832114
Energy: -1.1405464200077966
Energy: -0.7445118678239846
Energy: -1.1418233323220859
Energy: -1.095463308195379
Energy: -1.2018675054758532
Energy: -1.0786335976491297
Energy: -1.208782401668464
Energy: -1.0780474724496614
Energy: -1.2027794571721335
Energy: -1.4394956930761993
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Energy: -1.4218444941529427
Energy: -1.0025699278444655
Energy: -1.4157640662872961
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Energy: -1.1396649095586004
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Energy: -1.139664909504896
Energy: -0.8056175573620667
Energy: -0.7586715665931755
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Energy: -0.7586715665764732
Energy: -1.1379622147748247
Energy: -0.758671566615654
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Energy: -1.025719839871416
Energy: -2.6459878477896384
Energy: -1.018929820604197
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Energy: -1.0181476045187292
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Energy: -1.7014580190831825
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Energy: -1.52125011340145
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Energy: -1.5212571338551546
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Energy: -1.154578316008394
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Energy: -1.1545783072661164
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Energy: -1.0721198309528082
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Energy: -0.908528131871188
Energy: -1.9993529693631673
Energy: -0.9021210491675683
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Energy: -1.673275808478328
Energy: -0.9960487427236006
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Energy: -1.6732758101768355
Energy: -0.9960487427265051
Energy: -1.2676581059553524
Energy: -1.4191129289833464
Energy: -1.267658105958257
Energy: -1.4163257977248005
Energy: -1.2676581059553524
Energy: -1.4164101321096536
Energy: -1.6768801279884735
Energy: -0.9802715227184802
Energy: -1.6768801279957357
Energy: -0.9802715227155755
Energy: -1.676880127997914
Energy: -0.9802715226872544
Energy: -1.2534655363357827
Energy: -1.1665380271630357
Energy: -1.219452185478775
Energy: -1.166538027164488
Energy: -1.2260319201024343
Energy: -1.1665380271688452
Energy: -1.2387166339649045
Energy: -1.1439141665279586
Energy: -1.2387166339750708
Energy: -1.1439141675042448
Energy: -1.2387166339649045
Energy: -1.1439141661040333
Energy: -1.168914468803813
Energy: -1.4201994938736064
Energy: -1.1605499099190633
Energy: -1.4201995149584083
Energy: -1.1575740259145917
Energy: -1.4201994878787405
Energy: -1.5861460374752179
Energy: -2.3911733437430507
Energy: -1.4928092517082572
Energy: -2.3911733492232847
Energy: -1.5819496328258855
Energy: -2.391173339924289
Energy: -1.0534063356686099
Energy: -1.9279756502835712
Energy: -1.0220825585562952
Energy: -2.0936139716817506
Energy: -1.0146573557035128
Energy: -2.7945531000294572

minimum gb energy = -2.7945531000294572 eV
minimum distance =  2.34265541736952 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -1.4216264240025869
Energy: -1.3607814697711187
Energy: -1.421626424005668
Energy: -1.3607814697372285
Energy: -1.4216264239635619
Energy: -1.3607814697967464
Energy: -1.621391693366416
Energy: -1.448774340565954
Energy: -1.6213914879677782
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Energy: -1.6213917035084195
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Energy: -1.6111530559770209
Energy: -1.0293047617892173
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Energy: -1.7608811307940109
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Energy: -1.7157828692637878
Energy: -1.9894362472421876
Energy: -1.715782877917375
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Energy: -1.7157828716001602
Energy: -1.9826110594400064
Energy: -1.784070346228245
Energy: -1.5118101193609628
Energy: -1.7840703462467307
Energy: -1.3754037851748504
Energy: -1.7840703462087326
Energy: -1.4066600005556107
Energy: -1.6446028624925855
Energy: -1.4840304672245161
Energy: -1.619822630165762
Energy: -1.4840304646068923
Energy: -1.6199317153627995
Energy: -1.4840304693678634
Energy: -1.2587593551280183
Energy: -1.428549868562956
Energy: -1.263558435859859
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Energy: -1.4285498686964164
Energy: -1.5062629556824696
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Energy: -1.5062629572746107
Energy: -1.966644776854526
Energy: -1.5062629560427985
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Energy: -1.4902542578518088
Energy: -1.7290569908369142
Energy: -1.4902542598063324
Energy: -1.749271933903682
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Energy: -1.8460381151641905
Energy: -1.5069698442868407
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Energy: -1.363015405438769
Energy: -1.829191021416344
Energy: -1.3630154053956829
Energy: -1.8291910214964018
Energy: -1.363015405453147
Energy: -1.8291910214348295
Energy: -1.6441033742631583
Energy: -1.9989450620142626
Energy: -1.7066582735945126
Energy: -1.87064834901895
Energy: -1.5799574650740063
Energy: -2.010860089671034
Energy: -1.722847872279028
Energy: -1.3717564229446728
Energy: -1.722391406270451
Energy: -1.371756578745931
Energy: -1.7225883190364955
Energy: -1.3717565897902733
Energy: -1.3632604971626427
Energy: -2.1242815451899695
Energy: -1.3632604971277256
Energy: -2.124281545217651
Energy: -1.3632604971657238
Energy: -2.124281545437331

minimum gb energy = -2.124281545437331 eV
minimum distance =  2.38593973565726 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -2.018811641008778
Energy: -2.3302044165836104
Energy: -2.0188116409045493
Energy: -2.3302044165927316
Energy: -2.0188116409231522
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Energy: -2.4069290664004988
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Energy: -3.4696891241313543
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Energy: -2.5026504477339193
Energy: -2.6763604642947176
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Energy: -2.365200098551829
Energy: -2.4267615531393076
Energy: -2.365200098472549
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Energy: -2.378409714499935
Energy: -2.682977254671153
Energy: -2.4661572769836466
Energy: -2.6803824010254638

minimum gb energy = -3.4696891241313543 eV
minimum distance =  2.35082061820846 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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Energy: -3.462321202307845
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Energy: -3.382308406138095
Energy: -3.325995145160276
Energy: -2.998228189196671
Energy: -4.580339296582919
Energy: -2.9982281891643847
Energy: -4.5803392965874385
Energy: -2.998228189173425
Energy: -4.580339296585501
Energy: -3.4505547685259077
Energy: -3.296035102474417
Energy: -3.3463823042508833
Energy: -3.29578513328026
Energy: -3.6500990748090967
Energy: -3.2959223658675487
Energy: -3.7048206612436436
Energy: -3.807555120708485
Energy: -3.3960862153283085
Energy: -4.195320412932744
Energy: -3.4319295422245903
Energy: -3.67684200482248
Energy: -3.6047107327254597
Energy: -3.739527055136761
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Energy: -3.8002833501953006
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Energy: -3.6132956333732023
Energy: -3.6625637928901407
Energy: -3.6132956333370414
Energy: -3.572991425552844
Energy: -3.6132956334906665

minimum gb energy = -4.5803392965874385 eV
minimum distance =  2.36535853018222 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

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Energy: -1.9897753738053077
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Energy: -2.7473468918955404
Energy: -2.638511465875035
Energy: -2.7439820388761373
Energy: -2.6385115734273334

minimum gb energy = -3.1513241395252103 eV
minimum distance =  2.37223026584623 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

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Energy: 0.009057899715775291
Energy: -0.13100093426091194
Energy: 0.009057899715775291
Energy: -0.13100093426091194

minimum gb energy = -0.1318841801940975 eV
minimum distance =  2.43752827237293 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -1.4264961583976412
Energy: -1.254178426065518
Energy: -1.4264643226087976
Energy: -1.2103904853826277
Energy: -1.430068304252844
Energy: -1.2242829913814641
Energy: -1.1738872477409543
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Energy: -2.8799385390984704
Energy: -3.4197533280430825
Energy: -3.7815064970739796
Energy: -3.35632370583981
Energy: -1.2601187545057437
Energy: -4.593303766241319
Energy: -1.2544720181773186
Energy: -1.1227978157864025
Energy: -0.9729360232208742
Energy: -0.7925008592319566
Energy: -1.0056518194819764
Energy: -0.8174622990543924
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Energy: -3.2483086060700024
Energy: -3.0345455225819262
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Energy: -1.0715726872837406
Energy: -1.1076500647674694
Energy: -1.0635309128514008
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Energy: -1.1678009035283696
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Energy: -3.2456125816401955
Energy: -1.3028738210504034
Energy: -1.2042466140122607
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Energy: -3.415783919908233
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Energy: -0.8282912819233776
Energy: -1.2316898314718112
Energy: -0.8298428223465685
Energy: -1.1909718540699559
Energy: -0.8274060794244843
Energy: -1.205503728510506
Energy: -1.0876813724860936
Energy: -3.713049924808994
Energy: -1.0854649297443946
Energy: -4.3014441451833365
Energy: -1.0904738494564665
Energy: -3.8971623759103853
Energy: -1.3756785482228522
Energy: -0.8599454167531702
Energy: -1.3757363465000336
Energy: -0.8616255822850168
Energy: -1.3989089448733745
Energy: -0.8540709167974346
Energy: -1.0154922941455113
Energy: -1.0809769387588375
Energy: -1.0417862283753765
Energy: -1.0581386412393454
Energy: -1.137673666143708
Energy: -1.0588315752087794
Energy: -4.027943091133431
Energy: -1.0989318270474722
Energy: -3.3416012892732714
Energy: -1.272018774797515
Energy: -3.6048725169437765
Energy: -1.1596588274546047
Energy: -1.1005077018383538
Energy: -0.9274663598858187
Energy: -1.0879667719534172
Energy: -0.9343074568415204
Energy: -1.0788423863338075
Energy: -0.935411033784939
Energy: -1.0990360790865947
Energy: -1.5022378691414773
Energy: -1.0837149726311976
Energy: -1.4437077893315158
Energy: -1.0336015739760729
Energy: -1.4801983255097015
Energy: -4.116101058373008
Energy: -1.141520872031536
Energy: -3.6469944790462914
Energy: -1.0662160806601937
Energy: -4.3195313654999605
Energy: -1.060010372057388
Energy: -1.3628494739257064
Energy: -3.966813315433431
Energy: -1.3628494764811052
Energy: -3.6999444278488838
Energy: -1.362849494776816
Energy: -4.252197239995994
Energy: -4.401902891161366
Energy: -1.3062742511778718
Energy: -1.0376970197993807
Energy: -1.3009806842832177
Energy: -1.0549431235978648
Energy: -1.317297702578585

minimum gb energy = -4.593303766241319 eV
minimum distance =  2.3126847189022 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -4.990559988388534
Energy: -1.432689797875747
Energy: -3.4740404727647634
Energy: -1.4326897978816437
Energy: -3.1439170903926192
Energy: -1.4326897979361892
Energy: -1.8438242360634478
Energy: -3.1596448660291303
Energy: -1.840802477218272
Energy: -4.125836815079014
Energy: -1.8386382014474594
Energy: -3.2338805043251377
Energy: -1.5073760426227405
Energy: -4.135807707135305
Energy: -1.5113090732059509
Energy: -4.3721957482822615
Energy: -1.5097320212226928
Energy: -2.6980756620689497
Energy: -4.305793913680055
Energy: -1.9749436391954258
Energy: -5.644941905168077
Energy: -1.911340185417738
Energy: -6.774706095729673
Energy: -1.8335892870639603
Energy: -7.43682528209067
Energy: -6.931981761393421
Energy: -7.343562250459097
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Energy: -7.474579138959345
Energy: -7.7701899761761375
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Energy: -7.271693540648342
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Energy: -6.784052842890538
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Energy: -7.710132767404638
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Energy: -1.351462963560234
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Energy: -1.3948537019253977
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Energy: -1.5273743957744836
Energy: -6.73367680729963
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Energy: -6.357812008460864
Energy: -1.4563136169635853
Energy: -1.6661556310552867
Energy: -7.044670385142605
Energy: -4.904482997205498
Energy: -7.754630695149909
Energy: -4.869469916314766
Energy: -7.422814400392707
Energy: -7.3800602908178
Energy: -2.0159654176463597
Energy: -5.676724578479945
Energy: -2.0159656156909107
Energy: -2.8536918294161944
Energy: -2.015965473570561
Energy: -1.5737073945460445
Energy: -7.0328329940045835
Energy: -1.5950828990795598
Energy: -5.898375399446971
Energy: -1.6110892289101157
Energy: -5.60994849220979
Energy: -1.7604468246069493
Energy: -1.2907650697583686
Energy: -1.729447512165013
Energy: -1.3144633224693285
Energy: -1.6554350629266883
Energy: -1.3154720930265755

minimum gb energy = -7.7701899761761375 eV
minimum distance =  2.28183059445693 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: -3.9811054325945707
Energy: -4.835656088264808
Energy: -2.8569531082105657
Energy: -4.370200262889144
Energy: -3.499521368966225
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Energy: -4.276074595860541
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Energy: -4.8731319978405905
Energy: -4.851748135406482
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Energy: -0.8642695690232879
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Energy: -0.9189076395097558
Energy: -0.9845011858074587
Energy: -0.9029450168928151
Energy: -0.9845011797678008
Energy: -0.9362737007267424
Energy: -0.9845011904356329
Energy: -1.1703160580118581
Energy: -0.9912024635192791
Energy: -1.1220187850596133
Energy: -0.9912027160647441
Energy: -1.06438012291604
Energy: -0.9912035246973904
Energy: -0.8048755181192805
Energy: -5.252325819827159
Energy: -0.8048755177832008
Energy: -0.8095010862324105
Energy: -0.8048755169577946
Energy: -0.7905082863709681
Energy: -5.312510761870118
Energy: -0.8756281372182472
Energy: -4.752832501938473
Energy: -0.8756281370943747
Energy: -4.494274425166747
Energy: -0.8756281372598215

minimum gb energy = -5.631638167064564 eV
minimum distance =  2.34732598222733 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -0.971746244158913
Energy: -0.455114909661098
Energy: -0.9597302080128765
Energy: -0.45511663108655465
Energy: -0.991097526380074
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Energy: -1.6939144652525637
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Energy: -1.5119618951042078
Energy: -1.4974236681072806
Energy: -1.184848757191604
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Energy: -1.1876769668011196
Energy: -1.553110798886144
Energy: -1.202235719329346
Energy: -1.5530839580014542
Energy: -2.9655782916659374
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Energy: -1.6969938228361265
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Energy: -1.8282299030026077
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Energy: -1.6825580813838656
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Energy: -1.6890091345277936
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Energy: -1.1180562035423933
Energy: -2.8056715113852575
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Energy: -0.16074111212208061
Energy: -1.495771481212585
Energy: -0.16074111246795017
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Energy: -0.16074111289030568
Energy: -1.4957714820293246
Energy: -1.5337948440085187
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Energy: -1.5156463816615844
Energy: -1.0778497138695355
Energy: -1.5362091677253311
Energy: -1.070826210287419
Energy: -1.3206541983225806
Energy: -0.4188220456157632
Energy: -2.149249540778308
Energy: -0.41882232117625784
Energy: -2.93523840520251
Energy: -0.41882219697786166
Energy: -1.3151199627852839
Energy: -1.5102698346373442
Energy: -4.160487188495391
Energy: -1.510269822113384
Energy: -3.5702979609208363
Energy: -1.5102700049066695
Energy: -0.8957131759619336
Energy: -1.4926769640299793
Energy: -0.8939732689443387
Energy: -1.4926770175267745
Energy: -0.9049596037539142
Energy: -1.4926769720326236
Energy: -1.6824489067446653
Energy: -2.2018194027905116
Energy: -1.682448906694932
Energy: -2.231421143638989
Energy: -1.6824489067740296
Energy: -2.2637068362075734
Energy: -1.6254206008772203
Energy: -1.4950931626285409
Energy: -1.5744365204232584
Energy: -1.4950931624511374
Energy: -1.6545011000261605
Energy: -1.4950931627497692

minimum gb energy = -4.160487188495391 eV
minimum distance =  2.39361413274523 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -0.2410352905607481
Energy: -0.5587425350439144
Energy: -0.2410104957733794
Energy: -0.5423446040872362
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Energy: -0.5391662581460849
Energy: -1.851151657062111
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Energy: -1.730047794117043
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Energy: -2.5483331789129
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Energy: -2.231826780536054
Energy: -0.9039664841396597
Energy: -1.9732970853747267
Energy: -1.2018124448990044
Energy: -3.7628825906040007
Energy: -2.3408401991919012
Energy: -1.8383204349502233
Energy: -1.9008234825956483
Energy: -2.1762333260560127
Energy: -2.5018295546949774
Energy: -3.568660299922521
Energy: -2.481247034556739
Energy: -2.5957782822484106
Energy: -1.2996390438816257
Energy: -2.043019887724622
Energy: -1.4488549356660596
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Energy: -0.45826868602108095
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Energy: -2.000687220978625
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Energy: -1.1090066271104784
Energy: -1.7085112800262119
Energy: -1.6703477958843813
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Energy: -2.354380244471768
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Energy: -1.6864216242797667
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Energy: -2.48109394192732
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Energy: -2.243541395181648
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Energy: -1.9610337448350184
Energy: -2.4338906223951704
Energy: -1.853320382112508
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Energy: -1.6607287375385764
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Energy: -1.8853420874436198
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Energy: -2.0123417672531465
Energy: -1.2830098383227138
Energy: -2.331543157242513
Energy: -1.3340085062121156
Energy: -2.247081746577028
Energy: -1.7871982040453578
Energy: -2.2011742846069406
Energy: -2.741536385181245
Energy: -2.679485955549522
Energy: -1.4938567605076383
Energy: -2.086731520085596
Energy: -2.825158334237094
Energy: -2.464613590119122
Energy: -1.7107726460693282
Energy: -2.653022218395865
Energy: -2.328200942591919
Energy: -2.4134640813923265
Energy: -1.7855380112432833
Energy: -2.653871553659965
Energy: -2.472657255672885
Energy: -2.614273482611391
Energy: -3.051773558876017
Energy: -2.7765210824698907
Energy: -3.293986096622192
Energy: -1.253132026021042
Energy: -2.4421798392506706
Energy: -1.8798357482286436
Energy: -2.3328951567299896
Energy: -2.0178237013639713
Energy: -1.133220890545405
Energy: -2.183495590127668
Energy: -1.1784734058243274
Energy: -2.3058851079990164
Energy: -1.2666854583401062
Energy: -1.3168823276305865
Energy: -2.1404612576823263
Energy: -1.5742148934114584
Energy: -1.8740592355368069
Energy: -1.735353839973908
Energy: -2.7747528631666407
Energy: -1.659578305951618

minimum gb energy = -4.190075839938451 eV
minimum distance =  2.30839310997631 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: -0.6637846295411679
Energy: -1.3029178195185558
Energy: -0.6863281868530201
Energy: -1.3543266946364825
Energy: -0.6743567372150154
Energy: -1.2838254736739458
Energy: -0.9418870887676181
Energy: -1.426214955076775
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Energy: -1.3967505170131738
Energy: -0.9418850321713906
Energy: -1.4010996305829488
Energy: -0.8696425022858193
Energy: -1.6433990513787395
Energy: -0.8562531254402334
Energy: -1.6512120568527642
Energy: -0.8275154578661881
Energy: -1.6924900453689047
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Energy: -1.8703230237069421
Energy: -0.44628054280989515
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Energy: -1.6456794525774239
Energy: -0.8315675454789593
Energy: -1.6478836366090088
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Energy: -1.4611812494759786
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Energy: -0.671556603312441
Energy: -1.3082421379999019
Energy: -0.9418870904944577
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Energy: -0.9418865455300343
Energy: -1.3979602206540058
Energy: -0.941885006610897
Energy: -1.4559829039147874
Energy: -0.8421625609767401
Energy: -1.6421237701018068
Energy: -0.8210690479546745
Energy: -1.650405588111351
Energy: -0.8975731737547273
Energy: -1.6904601051478487
Energy: -0.38083737438121573
Energy: -1.6201712052552497
Energy: -0.45944340861765687
Energy: -1.6455883958089834
Energy: -0.4845503265203174
Energy: -1.645871271099501
Energy: -1.6388245340577083
Energy: -1.6605553903812642
Energy: -0.8307708102711011
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Energy: -1.6483880727882843
Energy: -0.9430270022010768
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Energy: -0.6927103097681747
Energy: -1.76095667602363
Energy: -0.6858332992524502
Energy: -1.3698003336432065
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Energy: -1.3060637847362957
Energy: -0.9418870931510644
Energy: -1.5226117604174652
Energy: -0.9418865040279505
Energy: -1.3728952751570491
Energy: -0.9418850573039053
Energy: -1.452849042277332
Energy: -0.8214980586664261
Energy: -1.6500943885611101
Energy: -0.8420848218018276
Energy: -1.6482416614790427
Energy: -0.8424550651247054
Energy: -1.6913479954893629
Energy: -0.4569839794937522
Energy: -1.592084937210082
Energy: -0.4256769353879983
Energy: -1.65939568913369
Energy: -0.472606745789953
Energy: -1.012244812793092
Energy: -0.8320953163477702
Energy: -1.6480474483373055
Energy: -0.831176679866396
Energy: -1.6461045169700406
Energy: -0.8152912281461177
Energy: -1.649627370757073

minimum gb energy = -2.999068789608579 eV
minimum distance =  2.37863332442623 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -1.915453045057085
Energy: -2.801637782900374
Energy: -1.6467354450718958
Energy: -2.7661627812568206
Energy: -1.556106897710955
Energy: -2.683181900219548
Energy: -1.2746026980492553
Energy: -2.574460469890421
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Energy: -2.11555248647155
Energy: -1.8331704265428919
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Energy: -2.3585859609064737
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Energy: -2.657665297423231
Energy: -2.269127410495175
Energy: -2.9637098542893296
Energy: -2.4047642878016044
Energy: -2.178916320119621
Energy: -2.443344168064823
Energy: -4.733093980103242
Energy: -2.786500418218175
Energy: -2.705700925316044
Energy: -3.3029913501651462
Energy: -3.927927775513449
Energy: -1.9061426605656713
Energy: -2.9689299586353446
Energy: -1.9297979181345275
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Energy: -3.3992134452413985
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Energy: -2.302357756307613
Energy: -1.9931063989639524
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Energy: -3.991297002228007
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Energy: -2.0295738305845985
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Energy: -2.51524396272957
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Energy: -1.5996930528280515
Energy: -2.949819789576633
Energy: -1.7967909925075878
Energy: -1.8825624187391738
Energy: -1.3952119938994352
Energy: -1.6769898674696433
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Energy: -2.304927582560206
Energy: -2.258027476471905
Energy: -2.1370839661016583
Energy: -2.331817663785999
Energy: -1.9868734990133186
Energy: -2.266327504630711
Energy: -1.8148402052366832
Energy: -1.7766433928403873
Energy: -1.8075828078977672
Energy: -1.8257107622239581
Energy: -1.7695594210569556
Energy: -1.7440253037172553
Energy: -2.0940355576126635
Energy: -2.2818297473995868
Energy: -1.771811353622357
Energy: -2.0935784047948034
Energy: -1.8859733764525222
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Energy: -3.095042747913149
Energy: -1.9729601464613997
Energy: -3.38646248592099
Energy: -1.9870342323709673
Energy: -3.417269284410017

minimum gb energy = -4.733093980103242 eV
minimum distance =  2.28442320870812 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: -1.2433213784883002
Energy: -2.312237643511149
Energy: 0.8934428021129447
Energy: -2.1249428875669842
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Energy: -1.3251493835172028
Energy: -1.6740017330774373
Energy: -1.4134102670614206
Energy: -1.7605830990318543
Energy: -1.9285678277811555
Energy: -1.7607022339052498
Energy: -1.6054686533480396
Energy: -1.5543774438463396
Energy: -1.6455460650978657
Energy: -2.362240167056884
Energy: -2.2039642170657556
Energy: -2.3239644049438493
Energy: -1.8706074495387344
Energy: -2.415092257758676
Energy: -2.071430869285297
Energy: 0.771826110696867
Energy: -2.1184688985292777
Energy: 0.7718261106975538
Energy: -1.9931303459691345
Energy: 0.7718261106989277
Energy: -1.3375250038784734
Energy: -2.894787409774265
Energy: 0.8934428021115709
Energy: -2.2491124612231697
Energy: -1.082396047974093
Energy: -2.244827408715456
Energy: -2.1680397830632208
Energy: -1.369701769907921
Energy: -1.8574537824292183
Energy: -1.2360384007557152
Energy: -2.130077005476375
Energy: -1.300647259101469
Energy: -1.9669941416220498
Energy: -1.846833653922172
Energy: -1.9983727426195828
Energy: -1.9235948003250467
Energy: -2.053802596345912
Energy: -1.8582379814885086
Energy: -4.31440820594129
Energy: -2.1307403568707537
Energy: -3.490488952688934
Energy: -2.6354688574773477
Energy: -1.0381751187845654
Energy: -1.569568354043662
Energy: -1.437589882143057
Energy: -1.7355376422763467
Energy: -1.5830996645666526
Energy: -1.6198570193282835
Energy: -1.4220367147563775
Energy: -1.550014383959851
Energy: 0.7585562399278212
Energy: -1.2307990461725962
Energy: 0.7585562399333163
Energy: -1.7818847913295564
Energy: 0.7585562399340033
Energy: -1.928221009374233

minimum gb energy = -4.31440820594129 eV
minimum distance =  2.29467456323212 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -0.8736312256606492
Energy: -1.044256900778746
Energy: -0.8049781861225327
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Energy: -0.8256239717051275
Energy: -0.8335558006440622
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Energy: -1.2650264707480323
Energy: -1.094437654913551
Energy: -1.4203028047617934
Energy: -1.0011303758412633
Energy: -1.3664062465811482
Energy: -1.0670235507386883
Energy: -1.8606286311651994
Energy: -1.2773059007888865
Energy: -1.886957332158607
Energy: -1.2652425165304721
Energy: -1.808738657816325
Energy: -1.0436508298393705
Energy: -1.1818019042830818
Energy: -1.0734617367838355
Energy: -1.0970247638769246
Energy: -0.9384766198490743
Energy: -1.148505438509339
Energy: -1.0874680223783286
Energy: -1.1079449761757665
Energy: -1.034242871341048
Energy: -1.1528823752427682
Energy: -1.2877870086673187
Energy: -1.3329167803994615
Energy: -1.0697205930039608
Energy: -0.9928603491924536
Energy: -1.1105753928041777
Energy: -1.3305162510014057
Energy: -1.1949526150005554
Energy: -1.3652093827059433
Energy: -1.147354060661622
Energy: -0.9296036080963879
Energy: -1.334407404667754
Energy: -0.9300575060483883
Energy: -1.2944862266901127
Energy: -1.6830219248513978
Energy: -1.2496634013116021
Energy: -1.9994255167103785
Energy: -1.4294196646455422
Energy: -1.9631803539742898
Energy: -1.376872183892115
Energy: -1.3351863131317836
Energy: -1.489528518530985
Energy: -1.40716153213486
Energy: -0.6935211022084556
Energy: -1.281217322860184
Energy: -1.10010933525296
Energy: -1.364803821615975
Energy: -1.068137115007341
Energy: -1.3363306628194618
Energy: -1.3139384913117205
Energy: -1.0472275150556274
Energy: -1.3337675021022362
Energy: -1.1829038369889575
Energy: -1.2848056493060305

minimum gb energy = -2.0255327274213166 eV
minimum distance =  2.31089321268111 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: -1.1598761557996382
Energy: -0.5394263573033029
Energy: -1.222761726526546
Energy: -0.9821696373136934
Energy: -1.1949765103156889
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Energy: -4.37056369806186
Energy: -1.0367757975778062
Energy: -4.067765756803552
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Energy: -2.9760706631345695
Energy: -3.3754967763124606
Energy: 0.6639478984005958
Energy: -3.923581432137538
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Energy: 0.6638839326128964
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Energy: -1.050077009156074
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Energy: -1.4264487619664776
Energy: -1.2634646186403764
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Energy: -0.7251194742794473
Energy: -1.1633262522491146
Energy: -3.3153454915406564
Energy: -1.0940751793796835
Energy: -1.6368971848604958
Energy: -1.1144809552349098
Energy: -1.6357539025476842
Energy: -1.1451764388112085
Energy: -2.199019982653674
Energy: -1.2450599392170365
Energy: -2.1125719156541476
Energy: -1.2724359278469073
Energy: -2.0875535581132243
Energy: 0.7072591279035025
Energy: -0.9096762697250352
Energy: 0.7072591279149693
Energy: -0.8614376434272595
Energy: 0.7072591279029814
Energy: -0.8596635117528791
Energy: -1.7937135786245069
Energy: -2.344074999217431
Energy: -1.6446471409819692
Energy: -2.46257099222789
Energy: -1.6742888983539272
Energy: -1.6507904748520104
Energy: -3.7238936275469445
Energy: -1.474871144617199
Energy: -3.846038875927549
Energy: -3.9062111525654264
Energy: -3.8105492714967353
Energy: -3.273642627734244
Energy: -1.2061489738598143
Energy: -1.2974774584443243
Energy: -1.2748214646106555
Energy: -3.3856486094308957
Energy: -1.2040377998104095
Energy: -1.5885874416949781
Energy: -1.0194621285371008
Energy: -1.2185252390939016
Energy: -1.0796550493145236
Energy: -1.388948149840717
Energy: -1.089630903067709
Energy: -1.364238726921072

minimum gb energy = -4.458708970122372 eV
minimum distance =  2.28881822872791 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01706526049656807
Energy: 0.45353337397841775
Energy: 0.01706526049656807
Energy: 0.4535333739775517
Energy: 0.01706526049656807
Energy: 0.4535333739788268
Energy: 0.01775787008626613
Energy: 0.0823844789933236
Energy: 0.0177578700875653
Energy: 0.08238447899248155
Energy: 0.01775787008626613
Energy: 0.08238447899289054
Energy: 0.4546499241145161
Energy: -5.3401128431886224
Energy: -1.3404182989526736
Energy: -5.3401128431877805
Energy: -1.5044180686409336
Energy: -5.340112843188214
Energy: 0.017757870087132244
Energy: 0.08238447899289054
Energy: 0.01775787008626613
Energy: 0.08238447899248155
Energy: 0.01775787008795024
Energy: 0.08238447899289054

minimum gb energy = -5.3401128431886224 eV
minimum distance =  2.55705223913485 Angstroms
sigma value = 1