Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.302443556487561
cohesive_energy=7.4705874115574415
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.017301709797437437
Energy: 0.01764182127997752
Energy: 3.551272874825041
Energy: 0.01764182127997752
Energy: 0.01764182127926771
Energy: 0.01807883102664487
Energy: 0.817817378738726
Energy: 0.01807883102664487
Energy: 3.551272874825041
Energy: 0.817817378738726
Energy: 0.816792721744343
Energy: 0.817817378738726
Energy: 0.01764182127926771
Energy: 0.01807883102664487
Energy: 0.817817378738726
Energy: 0.018078831025893312

minimum gb energy = 0.017301709797437437 eV
minimum distance =  2.85504429683976 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.93601228069487
Energy: 1.6565808126401542
Energy: 1.6157141384360432
Energy: 1.6565808126401542
Energy: 1.9420071594263713
Energy: 1.1974726713450001
Energy: 1.2632380011925712
Energy: 1.1974726713450001
Energy: 2.2451317106262545
Energy: 1.2610051631935808
Energy: 1.2300701634371671
Energy: 1.2610051631944923
Energy: 1.6817975928509203
Energy: 1.199970730896418
Energy: 1.3267026491559517
Energy: 1.1999707308955068
Energy: 1.6780714063251356
Energy: 1.1998085479684477
Energy: 1.750223741918062
Energy: 1.1998085479684477
Energy: 1.9584561362163069
Energy: 1.207028129044158
Energy: 1.207135303619124
Energy: 1.207028129044158
Energy: 1.4519111184345923
Energy: 1.2071944684765303
Energy: 1.2071228879715115
Energy: 1.2071944684765303
Energy: 1.2010160167899224
Energy: 1.2040279481228817
Energy: 1.7502411721563258
Energy: 1.20402794812197
Energy: 1.4641403355196638
Energy: 1.2060889326488156
Energy: 1.6851775366132222
Energy: 1.2060889325978141
Energy: 2.039019468034088
Energy: 1.2072827773536128
Energy: 1.5354621442468033
Energy: 1.2072827773517898
Energy: 1.2274797805644873
Energy: 1.2829340853256006
Energy: 1.5739407782449004
Energy: 1.2829340853256006
Energy: 1.2274543396657451
Energy: 1.2273139742363564
Energy: 2.5689629061522803
Energy: 1.2273139742372678
Energy: 1.4924053929664858
Energy: 1.2816635899642295
Energy: 1.6834998389589053
Energy: 1.2816635899642295
Energy: 1.2589934675481709
Energy: 1.282503749257505
Energy: 1.682614311093347
Energy: 1.2825037492565936
Energy: 1.2589182377985837
Energy: 1.204953622112042
Energy: 1.94448364530768
Energy: 1.2049536221138648
Energy: 1.3021955416225606
Energy: 1.2051447169826663
Energy: 1.9443911055260978
Energy: 1.205144716983578
Energy: 1.2627232802719832
Energy: 1.2814916730430346
Energy: 1.6824260491902119
Energy: 1.2814916730430346
Energy: 1.4833241498814824
Energy: 1.2814569170539885
Energy: 1.6825104956094672
Energy: 1.2814569170549
Energy: 1.2328013819319936
Energy: 1.2274637618919997
Energy: 2.6206114839085917
Energy: 1.227463761892911
Energy: 1.2273520828779247
Energy: 1.2829349238073862
Energy: 1.456255491781521
Energy: 1.2829349238064744
Energy: 2.038731297357621
Energy: 1.2076387096302676
Energy: 1.5334443166482319
Energy: 1.2076387096302676
Energy: 1.4637452768466857
Energy: 1.1998286223512926
Energy: 1.6854018426287873
Energy: 1.1998286223503811
Energy: 1.3339398744528872
Energy: 1.204094759589991
Energy: 1.471836785823814
Energy: 1.204094759589991
Energy: 1.7060524561304324
Energy: 1.207131470637286
Energy: 1.2068720210798272
Energy: 1.207131470637286
Energy: 1.9584591891317242
Energy: 1.2071711713721682
Energy: 1.207133679660047
Energy: 1.2071711713712567
Energy: 1.6776074489892494
Energy: 1.199851763371292
Energy: 1.7502423547973482
Energy: 1.1998517633722035
Energy: 1.6784452663185583
Energy: 1.200065601413995
Energy: 1.2615589976652666
Energy: 1.2000656014149067
Energy: 2.2452906165673467
Energy: 1.2610080678179885
Energy: 1.2308239204678033
Energy: 1.2610080678179885
Energy: 1.941746209043361
Energy: 1.1972717547174032
Energy: 1.2623704969726401
Energy: 1.1972717547192262
Energy: 1.6993156895859256
Energy: 1.5809368940237665
Energy: 1.2611241219623763
Energy: 1.5809368940237665
Energy: 1.9443793834397864
Energy: 1.1971762080806294
Energy: 1.3288092769166504
Energy: 1.1971762080806294
Energy: 1.9606327502467347
Energy: 1.2252212653267456
Energy: 1.2311062175654193
Energy: 1.225221265327657
Energy: 1.6780655327872596
Energy: 1.1999024325449952
Energy: 1.3269144583581465
Energy: 1.199902432542261

minimum gb energy = 1.1971762080806294 eV
minimum distance =  2.69100751894718 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 2.111542493767466
Energy: 1.2610675568150989
Energy: 1.3259889988536828
Energy: 1.2610675568161382
Energy: 1.7774074213481976
Energy: 1.3260643184057823
Energy: 1.385644470046562
Energy: 1.3260643184068217
Energy: 1.8137446441151044
Energy: 1.2977433684762611
Energy: 1.2977839591287654
Energy: 1.2977433684762611
Energy: 1.234275378463031
Energy: 1.2698495743444178
Energy: 1.512537934647183
Energy: 1.2698495743433786
Energy: 1.234418223348156
Energy: 1.2698688261725997
Energy: 1.9534324798222105
Energy: 1.2698688261725997
Energy: 1.8139890511748984
Energy: 1.2698108398161552
Energy: 1.2697160953427455
Energy: 1.2698108398161552
Energy: 1.2994663917094689
Energy: 1.3267211145537963
Energy: 1.2696831266880675
Energy: 1.3267211145558748
Energy: 1.2697733015366068
Energy: 1.2697546607080719
Energy: 1.9530000627197117
Energy: 1.2697546607080719
Energy: 1.29948519847975
Energy: 1.2349699910137006
Energy: 1.8173941746691646
Energy: 1.2349699910137006
Energy: 1.9534420012802691
Energy: 1.2345020737800203
Energy: 1.234294835275588
Energy: 1.2345020737810595
Energy: 1.272311063353965
Energy: 1.3651523798950103
Energy: 1.8181448317741884
Energy: 1.3651523798960499
Energy: 1.270843693615156
Energy: 1.2703523667130685
Energy: 2.429607105600313
Energy: 1.2703523667130685
Energy: 1.385306240832511
Energy: 1.2364197292225847
Energy: 1.774709356171127
Energy: 1.2364197292225847
Energy: 1.3853062408335504
Energy: 1.2366688646958648
Energy: 1.7749680060521738
Energy: 1.2366688646948256
Energy: 1.2710077057278006
Energy: 1.2698754918861155
Energy: 2.429686029911021
Energy: 1.2698754918861155
Energy: 1.2723449991295492
Energy: 1.3651000878918553
Energy: 1.8181230066750442
Energy: 1.3651000878928945
Energy: 1.95344200127923
Energy: 1.2345427951989114
Energy: 1.2343615085897761
Energy: 1.2345427951989114
Energy: 1.2996281611713452
Energy: 1.2352315711908302
Energy: 1.8174218322488223
Energy: 1.2352315711908302
Energy: 1.2697649383358771
Energy: 1.2697539230712933
Energy: 1.9530000627207509
Energy: 1.2697539230723327
Energy: 1.2993704382808617
Energy: 1.3265762233097413
Energy: 1.2696855323293121
Energy: 1.3265762233097413
Energy: 1.8140558575303352
Energy: 1.269754109974584
Energy: 1.269796087475171
Energy: 1.269754109974584
Energy: 1.2343303549421383
Energy: 1.2696274688514144
Energy: 1.9534324798211713
Energy: 1.2696274688514144
Energy: 1.2344770605990214
Energy: 1.2697892337686207
Energy: 1.5125379346461436
Energy: 1.2697892337686207
Energy: 1.813761667477092
Energy: 1.2975097865970064
Energy: 1.2976642723755447
Energy: 1.2975097865970064
Energy: 1.7769317238256381
Energy: 1.3260778699200797
Energy: 1.3856444700444834
Energy: 1.3260778699200797
Energy: 2.111542493767466
Energy: 1.2610675568150989
Energy: 1.325989062320294
Energy: 1.2610675568150989
Energy: 1.7774074213481976
Energy: 1.326064318407861
Energy: 1.385644470046562
Energy: 1.3260643184068217
Energy: 1.8137446441151044
Energy: 1.2977433684762611
Energy: 1.2977839591287654
Energy: 1.2977433684762611
Energy: 1.23427537846407
Energy: 1.2698495743444178
Energy: 1.512537934647183
Energy: 1.2698495743444178

minimum gb energy = 1.234275378463031 eV
minimum distance =  2.68083490661062 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.812640015503557
Energy: 1.4839064557643664
Energy: 1.405758452493714
Energy: 1.483906455766783
Energy: 1.9418158930583487
Energy: 1.3343065520942483
Energy: 1.5195399773977931
Energy: 1.3343065520942483
Energy: 1.9633775654272994
Energy: 1.3892672644255786
Energy: 1.3906949886102453
Energy: 1.3892672644255786
Energy: 1.6820315703193793
Energy: 1.3277280434227379
Energy: 1.519589345570702
Energy: 1.3277280434215297
Energy: 1.6814710544470857
Energy: 1.3278755824266757
Energy: 1.6965122281502292
Energy: 1.3278755824266757
Energy: 1.963189712286438
Energy: 1.3348080391505284
Energy: 1.3344074403817707
Energy: 1.3348080391517363
Energy: 1.3736845532264208
Energy: 1.3272713483868102
Energy: 1.3343371740683267
Energy: 1.3272713483868102
Energy: 1.3397439361002637
Energy: 1.3731468352925025
Energy: 2.4355054652892707
Energy: 1.3731468352912943
Energy: 1.4407920101067386
Energy: 1.4396813541436464
Energy: 1.6695480244460088
Energy: 1.4396813541448548
Energy: 1.4654350710749104
Energy: 1.3182609624487693
Energy: 1.6692524048015853
Energy: 1.3182609624475614
Energy: 1.4654899884711823
Energy: 1.3272583638106756
Energy: 1.9454952918390658
Energy: 1.3272583638106756
Energy: 1.4714615828253037
Energy: 1.3735842747483047
Energy: 1.9453536626028218
Energy: 1.3735842747483047
Energy: 1.4653707844965398
Energy: 1.3185549583538114
Energy: 1.6692423502468414
Energy: 1.3185549583526581
Energy: 1.4402139744603075
Energy: 1.4394629120929465
Energy: 1.669427534544012
Energy: 1.4394629120929465
Energy: 1.3700070239551307
Energy: 1.3731843077714667
Energy: 2.381145003348803
Energy: 1.3731843077702583
Energy: 1.3732277646962112
Energy: 1.3280371545792344
Energy: 1.3347922897500433
Energy: 1.3280371545804424
Energy: 2.4024632773540664
Energy: 1.3346788827918254
Energy: 1.3344444087709681
Energy: 1.3346788827918254
Energy: 1.6808554653293104
Energy: 1.3275080589596246
Energy: 1.6969615390389332
Energy: 1.3275080589596246
Energy: 1.6808835664319932
Energy: 1.3277053191553336
Energy: 1.519967679949355
Energy: 1.327705319156542
Energy: 1.655468084143995
Energy: 1.3343713567616173
Energy: 1.3786757658506859
Energy: 1.3343713567616173
Energy: 1.9417201343902948
Energy: 1.3342585157734215
Energy: 1.4066314170844822
Energy: 1.3342585157734215
Energy: 1.6854293087273973
Energy: 1.3182432437588367
Energy: 1.4435559835498384
Energy: 1.3182432437588367
Energy: 1.9439814696360398
Energy: 1.429005703914243
Energy: 1.5230926186156066
Energy: 1.4290057039130348
Energy: 2.1691850026519703
Energy: 1.3889348673474795
Energy: 1.389555342991551
Energy: 1.3889348673474795
Energy: 1.681793847138909
Energy: 1.327728897344568
Energy: 1.3671882790499919
Energy: 1.327728897344568

minimum gb energy = 1.3182432437588367 eV
minimum distance =  2.6947158924404 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.6806314186427063
Energy: 1.6639206146220995
Energy: 1.508246418550529
Energy: 1.6639206146220995
Energy: 1.6524214687599255
Energy: 1.424698357835093
Energy: 1.4243209693960253
Energy: 1.424698357835093
Energy: 1.639969593691565
Energy: 1.449077434953809
Energy: 1.448778166478317
Energy: 1.449077434953809
Energy: 1.661504799049044
Energy: 1.4245095626081143
Energy: 1.4244508112519312
Energy: 1.4245095626081143
Energy: 1.6615956916318915
Energy: 1.4243197179441418
Energy: 1.6713093327766528
Energy: 1.4243197179441418
Energy: 2.3124137512778167
Energy: 1.4243319135527863
Energy: 1.6612896729891948
Energy: 1.4243319135527863
Energy: 1.4492936628313657
Energy: 1.4243280732231927
Energy: 1.661156238257388
Energy: 1.424328073224634
Energy: 1.5371750503973813
Energy: 1.4244164369438643
Energy: 2.138622354001564
Energy: 1.4244164369438643
Energy: 1.7154014548998842
Energy: 1.4046799869642221
Energy: 1.3438818572536366
Energy: 1.4046799869642221
Energy: 1.7154345230849015
Energy: 1.3440428143395948
Energy: 1.343846046275461
Energy: 1.3440428143395948
Energy: 1.4256538223954853
Energy: 1.4048428874126526
Energy: 2.1453825804298052
Energy: 1.4048428874126526
Energy: 1.542486161935934
Energy: 1.3437318769496585
Energy: 1.7583241946308437
Energy: 1.3437318769510995
Energy: 1.7154474598271685
Energy: 1.4252631369074564
Energy: 1.731015976989529
Energy: 1.4252631369060151
Energy: 1.7412483129217289
Energy: 1.4656336148893123
Energy: 1.6622685448741563
Energy: 1.4656336148878712
Energy: 1.7309034087060877
Energy: 1.424173231404404
Energy: 1.798948247559104
Energy: 1.424173231404404
Energy: 1.661281154756859
Energy: 1.3438420869230976
Energy: 1.4494258085119207
Energy: 1.3438420869230976
Energy: 2.158885703202016
Energy: 1.5687153157397413
Energy: 1.4244330415404665
Energy: 1.5687153157383005
Energy: 1.6784977652851238
Energy: 1.409584352765099
Energy: 1.6552949121202174
Energy: 1.4095843527636582
Energy: 1.6333914848224154
Energy: 1.4247147886945568
Energy: 1.6819459215019679
Energy: 1.4247147886945568
Energy: 2.1588701317830723
Energy: 1.448978408191034
Energy: 1.448872436891106
Energy: 1.448978408189593
Energy: 1.6612559251712855
Energy: 1.4254352505181709
Energy: 1.4253459674364968
Energy: 1.4254352505181709

minimum gb energy = 1.3437318769496585 eV
minimum distance =  2.65531338507987 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5343088948937407
Energy: 1.4545350564801582
Energy: 1.6170557205216622
Energy: 1.4545350564819406
Energy: 1.9775064937388829
Energy: 1.597376254520084
Energy: 1.5584029332683305
Energy: 1.597376254520084
Energy: 1.7700898685121018
Energy: 1.5412288302894432
Energy: 1.5587221167153094
Energy: 1.5412288302912256
Energy: 1.4878645053453399
Energy: 1.5942757727227372
Energy: 1.5149166111197205
Energy: 1.5942757727227372
Energy: 1.5940597890798556
Energy: 1.598478570105768
Energy: 2.0319115409759583
Energy: 1.5984785701075501
Energy: 2.182135567703971
Energy: 1.5302598082931256
Energy: 1.5297441800742735
Energy: 1.5302598082931256
Energy: 1.735274658939155
Energy: 1.595341748973717
Energy: 1.5301425314003887
Energy: 1.595341748975499
Energy: 1.5945184585252983
Energy: 1.645609938434908
Energy: 1.9778811369464753
Energy: 1.6456099384366905
Energy: 1.6501681682125373
Energy: 1.5304406529409382
Energy: 1.5297895157337504
Energy: 1.5304406529391559
Energy: 1.7308735932858426
Energy: 1.5307549953890933
Energy: 1.529983743716334
Energy: 1.5307549953890933
Energy: 1.5942594215642465
Energy: 1.5948092935757843
Energy: 2.0228078327778345
Energy: 1.5948092935757843
Energy: 1.5941452062306738
Energy: 1.5303373759266068
Energy: 1.5409100795850303
Energy: 1.5303373759283891
Energy: 1.901675934155042
Energy: 1.5411395982361527
Energy: 1.5419554078238804
Energy: 1.5411395982361527
Energy: 2.06194007366852
Energy: 1.5983859848883586
Energy: 1.8257497500046616
Energy: 1.5983859848883586
Energy: 1.8032900818263244
Energy: 1.4548755614552888
Energy: 1.7301605896774133
Energy: 1.4548755614552888
Energy: 1.9187494838572283
Energy: 1.5195656989697386
Energy: 1.5412570228242017
Energy: 1.5195656989697386
Energy: 1.595895011236646
Energy: 1.5305623650404585
Energy: 1.542593965288579
Energy: 1.5305623650404585

minimum gb energy = 1.4545350564801582 eV
minimum distance =  2.6377923291487 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.0816566171190587
Energy: 2.0203616098615425
Energy: 1.678100887614562
Energy: 2.0203616098615425
Energy: 1.8398414502768228
Energy: 1.6324793382299687
Energy: 1.7044605257701566
Energy: 1.6324793382289593
Energy: 1.8519001854915624
Energy: 1.6175241692694802
Energy: 1.5943894138058532
Energy: 1.6175241692684708
Energy: 1.582554360504175
Energy: 1.5815319615529453
Energy: 1.65228607818498
Energy: 1.581531961554964
Energy: 1.6375217363478907
Energy: 1.632532680138045
Energy: 1.9018583765146193
Energy: 1.632532680138045
Energy: 1.8952449017455848
Energy: 1.5494193282576636
Energy: 1.611324883047442
Energy: 1.549419328258673
Energy: 1.7640312440966948
Energy: 1.5818326400190184
Energy: 1.836681322750426
Energy: 1.581832640021037
Energy: 1.6278040821766973
Energy: 1.5779357074868874
Energy: 1.963248252776937
Energy: 1.5779357074868874
Energy: 1.597470454757073
Energy: 1.6371958516873357
Energy: 1.5592341580647637
Energy: 1.637195851685317
Energy: 1.9213256672653265
Energy: 1.674182495222543
Energy: 1.636944048275808
Energy: 1.6741824952215338
Energy: 1.6133144577152787
Energy: 1.6135711718940118
Energy: 1.9423265505666967
Energy: 1.6135711718940118
Energy: 1.6131977596639433
Energy: 1.6381313469521823
Energy: 1.7057727275907473
Energy: 1.638131346951173
Energy: 1.9206129183160132
Energy: 1.6581501144955255
Energy: 1.6922521884092088
Energy: 1.6581501144955255
Energy: 1.6129688318293474
Energy: 1.6138260911870954
Energy: 1.6684001466448404
Energy: 1.6138260911870954
Energy: 1.6136510368748842
Energy: 1.573869667882896
Energy: 1.9703175954183731
Energy: 1.573869667882896
Energy: 1.930099978968316
Energy: 1.6376635574495733
Energy: 1.5585037684149603
Energy: 1.6376635574505825
Energy: 1.6279481876927584
Energy: 1.5721010476671928
Energy: 1.6376779564565964
Energy: 1.5721010476692117
Energy: 1.6317300389410299
Energy: 1.6749958962117382
Energy: 1.8701476065206046
Energy: 1.6749958962117382
Energy: 1.7629894996429811
Energy: 1.5505895238975869
Energy: 1.7230681424517653
Energy: 1.5505895238965777
Energy: 2.063118420233621
Energy: 1.5499901950331754
Energy: 1.820251072094968
Energy: 1.5499901950341848
Energy: 1.577847192809302
Energy: 1.6817095278160872
Energy: 1.932254375684788
Energy: 1.6817095278160872
Energy: 1.5779703017125575
Energy: 1.6954054087268824
Energy: 1.6169361326938687
Energy: 1.6954054087278918
Energy: 1.9007328528566672
Energy: 1.6173664274309305
Energy: 1.6170225481531504
Energy: 1.6173664274309305
Energy: 1.8186186560635464
Energy: 1.5634154611247886
Energy: 1.9458085547878086
Energy: 1.5634154611237792
Energy: 1.8185867760466936
Energy: 1.5634780076528811
Energy: 1.898367355616387
Energy: 1.5634780076528811
Energy: 1.8972940894516779
Energy: 1.6173832062966171
Energy: 1.6169208574119074
Energy: 1.6173832062966171
Energy: 1.5780555459455197
Energy: 1.6382742935966275
Energy: 1.6176311469291476
Energy: 1.6382742935966275
Energy: 1.578421381717256
Energy: 1.5783387122300538
Energy: 1.9376184014050535
Energy: 1.5783387122290444
Energy: 1.8785436775243443
Energy: 1.671378506717121
Energy: 1.822708242226401
Energy: 1.671378506717121
Energy: 1.7099546691403247
Energy: 1.5496773076662587
Energy: 1.6086825944211949
Energy: 1.5496773076662587

minimum gb energy = 1.5494193282576636 eV
minimum distance =  2.64800911294256 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.5785340756476203
Energy: 1.5808515927013478
Energy: 1.8636230312324467
Energy: 1.5808515927013478
Energy: 1.7105077478901525
Energy: 1.5795499200746024
Energy: 1.5789852935917017
Energy: 1.5795499200746024
Energy: 2.224981752570781
Energy: 1.7408237445298629
Energy: 1.7693958532471754
Energy: 1.7408237445298629
Energy: 1.769382336812705
Energy: 1.7407532816085862
Energy: 2.225172542996968
Energy: 1.7407532816085862
Energy: 1.5789951414882657
Energy: 1.5793989436508618
Energy: 1.710496118632023
Energy: 1.5793989436508618
Energy: 3.429496221319495
Energy: 1.5808515927013478
Energy: 1.5785340756476203
Energy: 1.5808515927013478
Energy: 1.5789852935917017
Energy: 1.5795499200746024
Energy: 1.7105077478901525
Energy: 1.5795499200746024
Energy: 1.7693958532448517
Energy: 1.7408237445298629
Energy: 2.224981752570781
Energy: 1.7408237445298629
Energy: 2.2251725429946445
Energy: 1.7407532816085862
Energy: 1.769382336812705
Energy: 1.7407532816085862
Energy: 1.710496118632023
Energy: 1.5793989436508618
Energy: 1.5789951414882657
Energy: 1.5793989436508618
Energy: 1.5785340756476203
Energy: 1.5808515927013478
Energy: 1.8636230372531066
Energy: 1.5808515927013478
Energy: 1.7105077478901525
Energy: 1.5795499200746024
Energy: 1.5789852935940256
Energy: 1.5795499200746024
Energy: 2.224981752570781
Energy: 1.7408237445298629
Energy: 1.7693958532471754
Energy: 1.7408237445298629

minimum gb energy = 1.5785340756476203 eV
minimum distance =  2.64193654801522 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.8523811190102317
Energy: 1.7131761972921296
Energy: 1.9477076538265898
Energy: 1.7131761972912696
Energy: 2.1354520073588734
Energy: 1.6890234594862061
Energy: 1.9016622145779387
Energy: 1.6890234594862061
Energy: 1.7646768578418648
Energy: 1.6644265985908007
Energy: 1.6643307058704226
Energy: 1.6644265985899402
Energy: 1.6822836661383245
Energy: 1.695254260676743
Energy: 1.8247995479391
Energy: 1.695254260677603
Energy: 1.7636340236201076
Energy: 1.647495307240287
Energy: 2.1068941454320362
Energy: 1.6474953072385667
Energy: 2.063558716338565
Energy: 1.8043881883557842
Energy: 1.8473417221402677
Energy: 1.8043881883566442
Energy: 1.856539356134243
Energy: 1.7768843988353022
Energy: 2.120680288117601
Energy: 1.776884398834442
Energy: 1.6473283153699425
Energy: 1.705590779256237
Energy: 1.7795772528527023
Energy: 1.705590779256237
Energy: 1.772965934530524
Energy: 1.6645806789825475
Energy: 1.7139845943051137
Energy: 1.6645806789842676
Energy: 1.8556210627926877
Energy: 1.6647994992866233
Energy: 1.804742514690795
Energy: 1.664799499285763
Energy: 1.6793447451180734
Energy: 1.8155757944141337
Energy: 2.036284726961755
Energy: 1.8155757944141337
Energy: 2.1462048073910176
Energy: 1.7113318339605044
Energy: 1.7715946977360137
Energy: 1.7113318339613641
Energy: 1.7501393992909229
Energy: 1.6845103324322286
Energy: 1.687164123492533
Energy: 1.6845103324305084
Energy: 1.7624376867305842
Energy: 1.7606498861737645
Energy: 1.9052470903627747
Energy: 1.7606498861754847
Energy: 1.767648558710219
Energy: 1.7057433168605571
Energy: 1.684122817555979
Energy: 1.7057433168596972
Energy: 2.081840281027902
Energy: 1.684547369880526
Energy: 1.6913430669006213
Energy: 1.684547369882246
Energy: 1.9063248210713102
Energy: 1.6848126795257756
Energy: 2.1751697558952046
Energy: 1.6848126795240554
Energy: 1.6820847834787644
Energy: 1.8171765217273388
Energy: 1.8003992420616883
Energy: 1.8171765217273388
Energy: 2.1365022293622453
Energy: 1.796436884546394
Energy: 1.7491756303698711
Energy: 1.7964368845481142
Energy: 1.7053016759109247
Energy: 1.6843634655583306
Energy: 1.7094475380237872
Energy: 1.6843634655591908
Energy: 1.6464446161633888
Energy: 1.7058095191058256
Energy: 1.7404193400823507
Energy: 1.7058095191058256
Energy: 2.0429976870780227
Energy: 1.6473508626467477
Energy: 1.844301348110215
Energy: 1.6473508626467477
Energy: 1.9043028458137703
Energy: 1.8116731052937443
Energy: 1.8463945991493826
Energy: 1.8116731052937443
Energy: 1.7638019749246343
Energy: 1.8102962934013949
Energy: 2.028307382808329
Energy: 1.8102962934022548
Energy: 1.6810624335917987
Energy: 1.705817454165703
Energy: 1.6641173325054137
Energy: 1.705817454164843
Energy: 1.99290504268623
Energy: 1.7415344508821626
Energy: 1.664579547794878
Energy: 1.7415344508830228
Energy: 2.1075789777129756
Energy: 1.6431961633484573
Energy: 2.1091964416787774
Energy: 1.6431961633475973
Energy: 1.8519621009320142
Energy: 1.6430698234670418
Energy: 2.1091328224407384
Energy: 1.6430698234653218
Energy: 2.068205013995708
Energy: 1.7425854668163976
Energy: 1.7332742239621237
Energy: 1.7425854668146774
Energy: 1.6811584255195122
Energy: 1.7061773610550957
Energy: 1.6641654774650358
Energy: 1.7061773610542352
Energy: 1.7501254038755967
Energy: 1.8067285237017834
Energy: 2.0706727354272485
Energy: 1.8067285237017834
Energy: 1.904597932374034
Energy: 1.647140964866625
Energy: 1.8499927618529894
Energy: 1.6471409648674848
Energy: 2.184746027984921
Energy: 1.6474264651725332
Energy: 1.8441079774315443
Energy: 1.6474264651733934
Energy: 1.646705337446695
Energy: 1.7063456276363818
Energy: 2.1131144092735084
Energy: 1.7063456276381022
Energy: 1.6747071852062518
Energy: 1.6845851168711643
Energy: 1.7089533987682246
Energy: 1.6845851168694443

minimum gb energy = 1.6430698234653218 eV
minimum distance =  2.58778761993904 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.9193248195688286
Energy: 1.8176227045174234
Energy: 2.0025835288595872
Energy: 1.8176227045174234
Energy: 1.9628536144174662
Energy: 1.7284190936231578
Energy: 1.814261819112644
Energy: 1.7284190936231578
Energy: 1.80621712437155
Energy: 1.7500565108698232
Energy: 1.6384640488471767
Energy: 1.7500565108698232
Energy: 1.6999088202198769
Energy: 1.6732801142675235
Energy: 1.836335128211794
Energy: 1.6732801142675235
Energy: 1.918205972840667
Energy: 1.6732682461968538
Energy: 1.9399161645364293
Energy: 1.6732682461968538
Energy: 2.2392094402238922
Energy: 1.844924924922655
Energy: 1.6509942102625519
Energy: 1.844924924922655
Energy: 1.757432358381322
Energy: 1.73196725200587
Energy: 2.0123746250357395
Energy: 1.73196725200587
Energy: 1.6744217639414067
Energy: 1.6732792967090522
Energy: 1.8131606854758038
Energy: 1.6732792967090522
Energy: 2.0270499238060475
Energy: 1.7492910714766727
Energy: 1.812316886954227
Energy: 1.7492910714780374
Energy: 1.6729307078393754
Energy: 1.749438575782041
Energy: 1.8127890151675266
Energy: 1.749438575782041
Energy: 1.6729674582935061
Energy: 1.6732021024173331
Energy: 1.814122547552067
Energy: 1.6732021024173331
Energy: 2.093260239940075
Energy: 1.673271437201967
Energy: 1.96799031957333
Energy: 1.6732714372006026
Energy: 1.9115321285283455
Energy: 1.6731742425247114
Energy: 1.6493660072730754
Energy: 1.6731742425247114
Energy: 1.762089738951012
Energy: 1.8796880644798588
Energy: 2.2258911337079006
Energy: 1.8796880644784943
Energy: 1.6993816607108394
Energy: 1.6732133343526199
Energy: 1.6835127004837882
Energy: 1.6732133343539843
Energy: 1.8750671512242552
Energy: 1.7499158373727202
Energy: 1.6387986751261452
Energy: 1.7499158373727202
Energy: 1.9015126076390023
Energy: 1.64934767106844
Energy: 2.2230767863480607
Energy: 1.64934767106844
Energy: 1.901748499496779
Energy: 1.6496052029802784
Energy: 2.222206917133358
Energy: 1.6496052029802784
Energy: 2.0858815655074228
Energy: 1.7495957157562907
Energy: 1.6837778557345093
Energy: 1.7495957157562907
Energy: 1.6995443091341005
Energy: 1.6736057926632317
Energy: 1.6386804224479814
Energy: 1.6736057926645962
Energy: 1.8063912986401296
Energy: 1.8529671009349942
Energy: 2.262541424490385
Energy: 1.8529671009349942
Energy: 1.9114951816990526
Energy: 1.6732343876723403
Energy: 1.6492107732675558
Energy: 1.6732343876723403

minimum gb energy = 1.6384640488471767 eV
minimum distance =  2.59657714494076 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.1159509386379494
Energy: 1.8582688776933283
Energy: 1.9853562354836751
Energy: 1.8582688776933283
Energy: 2.0234593398012977
Energy: 1.743287342268676
Energy: 1.754247829730705
Energy: 1.743287342268676
Energy: 1.7357328066940536
Energy: 1.7052323318558384
Energy: 1.7061460090532246
Energy: 1.7052323318558384
Energy: 1.742031498009113
Energy: 1.6429425504665225
Energy: 1.7064632632993206
Energy: 1.642942550465558
Energy: 1.8601822165712143
Energy: 1.705921433099238
Energy: 1.6424078000332436
Energy: 1.705921433100203
Energy: 2.4310374291734744
Energy: 1.6428952667744186
Energy: 1.645291596747261
Energy: 1.6428952667744186
Energy: 1.6999826522994852
Energy: 1.753082421343415
Energy: 2.1569787846136435
Energy: 1.753082421343415
Energy: 1.6449392036021433
Energy: 1.6430481805699546
Energy: 1.853796806284092
Energy: 1.6430481805699546
Energy: 2.1690812818438863
Energy: 1.7057199822247664
Energy: 1.7057040091878797
Energy: 1.7057199822247664
Energy: 1.7057838508987657
Energy: 1.6432464760547922
Energy: 1.7424792864446035
Energy: 1.6432464760547922
Energy: 1.7054823037601978
Energy: 1.7058913960389492
Energy: 2.087809594884801
Energy: 1.7058913960389492
Energy: 2.3317066237891684
Energy: 1.6428472779929864
Energy: 1.9901769621467367
Energy: 1.6428472779929864
Energy: 2.3145803860982506
Energy: 1.6432655295792502
Energy: 1.9905791571116964
Energy: 1.6432655295792502
Energy: 1.7061014740785747
Energy: 1.7069762856212116
Energy: 2.209359015477432
Energy: 1.7069762856202466
Energy: 1.7055696713094601
Energy: 1.642524776725847
Energy: 1.7354545208293406
Energy: 1.642524776725847
Energy: 2.1692639623538894
Energy: 1.844208067033693
Energy: 1.7530290748012947
Energy: 1.844208067033693
Energy: 1.6420695784701962
Energy: 1.6427880273651372
Energy: 1.8535504231925615
Energy: 1.6427880273651372
Energy: 1.642317985696495
Energy: 1.7056187565817758
Energy: 2.194506475740586
Energy: 1.7056187565817758
Energy: 2.453619814456854
Energy: 1.6429056134246263
Energy: 1.6421247017888
Energy: 1.6429056134246263
Energy: 1.8542751804612354
Energy: 1.705518581220076
Energy: 1.6422223902547584
Energy: 1.705518581220076
Energy: 1.7358059126948318
Energy: 1.753710470506956
Energy: 1.8629803253163206
Energy: 1.753710470506956
Energy: 1.7355697928291798
Energy: 1.7069095866496458
Energy: 1.7116083773118729
Energy: 1.7069095866496458
Energy: 2.022544085759756
Energy: 1.7416720586637573
Energy: 1.7551881495226833
Energy: 1.7416720586637573
Energy: 1.988042580757322
Energy: 1.6431923023240536
Energy: 2.313950795752434
Energy: 1.6431923023230885
Energy: 1.9891619668949376
Energy: 1.643330296019178
Energy: 1.7377069566399832
Energy: 1.6433302960182135
Energy: 1.844468394748029
Energy: 1.7056580910651078
Energy: 1.7109880885808249
Energy: 1.7056580910651078
Energy: 1.7369861634921278
Energy: 1.6431561961397791
Energy: 1.70652119912942
Energy: 1.6431561961397791
Energy: 1.8540620622284787
Energy: 1.7064239120599207
Energy: 2.068087730973639
Energy: 1.7064239120599207
Energy: 1.8536674919444804
Energy: 1.6427533744519518
Energy: 1.641892989956058
Energy: 1.6427533744519518
Energy: 2.123342385008134
Energy: 1.777750893102601
Energy: 2.12334817241503
Energy: 1.777750893102601
Energy: 1.6419415706385243
Energy: 1.6428197420517354
Energy: 1.8536674919406209
Energy: 1.6428197420517354

minimum gb energy = 1.641892989956058 eV
minimum distance =  2.62199508668317 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4848674538445819
Energy: 1.6041536879414526
Energy: 2.042819561378116
Energy: 1.6041536879417888
Energy: 2.1035236453052777
Energy: 1.5879134123418885
Energy: 1.6020273721370493
Energy: 1.5879134123415526
Energy: 1.9423892275484804
Energy: 1.5586262949101821
Energy: 1.5592590903903705
Energy: 1.5586262949101821
Energy: 2.1742212745467646
Energy: 1.6046216311298347
Energy: 1.5592197746486527
Energy: 1.6046216311301709
Energy: 2.2266259193217146
Energy: 1.559816302551783
Energy: 1.5590307199422102
Energy: 1.559816302551783
Energy: 1.94106185440179
Energy: 1.5599295347560949
Energy: 1.558530928023496
Energy: 1.5599295347560949
Energy: 1.7602291950783249
Energy: 1.5585813680518419
Energy: 2.0024349246776545
Energy: 1.558581368051506
Energy: 1.48233602424502
Energy: 1.560221189475204
Energy: 2.5666995884553123
Energy: 1.5602211894755402
Energy: 2.155249376854437
Energy: 1.6023893140251682
Energy: 1.602496111703982
Energy: 1.6023893140251682

minimum gb energy = 1.48233602424502 eV
minimum distance =  2.68916289188616 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.8219138961296877
Energy: 1.6608590756640753
Energy: 2.257177754970919
Energy: 1.6608590756649868
Energy: 2.0582782296000026
Energy: 1.6231954911335618
Energy: 1.7663816914672579
Energy: 1.6231954911335618
Energy: 1.7061406637265746
Energy: 1.6922825319864057
Energy: 1.6934687731082823
Energy: 1.6922825319854942
Energy: 1.7058278967336389
Energy: 1.7050195588657746
Energy: 1.8536192244227616
Energy: 1.7050195588639516
Energy: 1.614454699593151
Energy: 1.689568570299579
Energy: 1.6586115500758527
Energy: 1.689568570299579
Energy: 1.7914374001291176
Energy: 1.7287365828002648
Energy: 1.654369094848962
Energy: 1.728736582801176
Energy: 1.7934715433070558
Energy: 1.671123912455532
Energy: 1.8615884670206757
Energy: 1.6711239124546204
Energy: 1.7965312028824905
Energy: 1.6717746551518813
Energy: 2.027115496805359
Energy: 1.6717746551518813
Energy: 2.277870390608736
Energy: 1.6448200952566794
Energy: 1.7838823556808268
Energy: 1.644820095255768
Energy: 2.124472803733363
Energy: 1.6450411158251435
Energy: 1.787220830815361
Energy: 1.6450411158260545
Energy: 1.6941119017644364
Energy: 1.6926571048927403
Energy: 1.877742115061916
Energy: 1.692657104895475
Energy: 1.6949692246891872
Energy: 1.6921978868964567
Energy: 1.6531255286203812
Energy: 1.6921978868964567
Energy: 1.895748983777423
Energy: 1.7608117680528486
Energy: 1.6516504184475471
Energy: 1.76081176805376
Energy: 1.6373905806080258
Energy: 1.690357301196309
Energy: 1.6517702902130722
Energy: 1.6903573011981319
Energy: 1.6705187698221988
Energy: 1.9123193147800766
Energy: 1.9548883690127214
Energy: 1.9123193147818993
Energy: 2.1206151060753644
Energy: 1.6737040539531811
Energy: 1.7831370609940207
Energy: 1.6737040539522696
Energy: 1.9256428708857039
Energy: 1.6468612196835593
Energy: 1.9549329872678096
Energy: 1.6468612196835593
Energy: 1.668408092533705
Energy: 1.6737111232543116
Energy: 2.0329205720535426
Energy: 1.6737111232561348
Energy: 1.8137186037079134
Energy: 1.6669510800667384
Energy: 1.7400372905271053
Energy: 1.6669510800667384
Energy: 1.6905971046254942
Energy: 1.7076805458045303
Energy: 1.659421036287855
Energy: 1.7076805458036188
Energy: 1.6916210413563262
Energy: 1.704065168280158
Energy: 1.733879366245533
Energy: 1.704065168280158
Energy: 1.8109658995988542
Energy: 1.6895670447811906
Energy: 1.6741944354174372
Energy: 1.6895670447811906
Energy: 1.706251753655437
Energy: 1.6918034267027255
Energy: 1.6750957972396994
Energy: 1.6918034267018138
Energy: 1.9608223892615733
Energy: 1.6430245110063963
Energy: 2.199168711292651
Energy: 1.6430245110063963
Energy: 1.9570198726088135
Energy: 1.6436096040813477
Energy: 2.2735813504953146
Energy: 1.6436096040813477
Energy: 1.8371500599924138
Energy: 1.68987587666533
Energy: 1.6742875327765558
Energy: 1.6898758766625952
Energy: 1.710600211353714
Energy: 1.6908179173273112
Energy: 1.675220592999542
Energy: 1.6908179173282227
Energy: 1.7487807109864195
Energy: 1.7053604023862083
Energy: 1.890559866635615
Energy: 1.7053604023843854
Energy: 1.692047890487712
Energy: 1.69264959188113
Energy: 1.655629371190361
Energy: 1.6926495918838644
Energy: 1.9553363285164669
Energy: 1.8337242835022114
Energy: 1.7350220358160235
Energy: 1.8337242835022114
Energy: 1.7917158383234681
Energy: 1.6733885936067348
Energy: 1.8592503656729977
Energy: 1.6733885936067348
Energy: 1.794329415875705
Energy: 1.6324244817896114
Energy: 2.0573744620544896
Energy: 1.632424481790523
Energy: 2.2732658879231193
Energy: 1.6481589392961533
Energy: 1.7825668531731371
Energy: 1.6481589392952418

minimum gb energy = 1.614454699593151 eV
minimum distance =  2.59306875274627 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.6504704131976016
Energy: 1.5885871423601967
Energy: 2.0786504648106514
Energy: 1.5885871423601967
Energy: 1.584605199855837
Energy: 1.657987285973782
Energy: 1.6699243302155622
Energy: 1.657987285973782
Energy: 1.861788384547448
Energy: 1.6583158074684674
Energy: 1.7486920004134796
Energy: 1.6583158074672073
Energy: 1.6689994755345
Energy: 1.6590757348155283
Energy: 1.703161630686989
Energy: 1.6590757348155283
Energy: 1.5990036204851694
Energy: 1.5879386239472093
Energy: 1.5991532039125307
Energy: 1.5879386239472093
Energy: 1.599871133554985
Energy: 1.5998791657870124
Energy: 1.5990372981892993
Energy: 1.5998791657870124
Energy: 1.708186289349164
Energy: 1.6585120632620498
Energy: 1.8627840262127247
Energy: 1.6585120632620498
Energy: 1.7070730976745485
Energy: 1.6584204223169134
Energy: 1.8633006104233416
Energy: 1.6584204223169134
Energy: 2.187942931257185
Energy: 1.5880180984161498
Energy: 1.6140052974093726
Energy: 1.5880180984161498
Energy: 2.187942931257185
Energy: 1.5881868868951938
Energy: 1.6137315360832627
Energy: 1.5881868868951938
Energy: 1.7070641104074682
Energy: 1.6584208040762223
Energy: 1.863300610424602
Energy: 1.6584208040762223
Energy: 1.7082041521960276
Energy: 1.658524299509878
Energy: 1.8627840262127247
Energy: 1.658524299509878
Energy: 1.6002439575492435
Energy: 1.5998469143205016
Energy: 1.598882677290849
Energy: 1.5998469143205016
Energy: 1.5988880498716038
Energy: 1.5879293943507466
Energy: 1.5991893803826118
Energy: 1.587929394349486
Energy: 1.669086792664032
Energy: 1.659067184988272
Energy: 1.7031667828837447
Energy: 1.659067184988272
Energy: 1.8617883845487087
Energy: 1.6583132938643452
Energy: 1.7487231958954352
Energy: 1.6583132938643452
Energy: 1.5847418190582534
Energy: 1.6579346741970047
Energy: 1.669926872513389
Energy: 1.6579346741970047
Energy: 1.6504704131976016
Energy: 1.5885871423601967
Energy: 2.078650463920041
Energy: 1.5885871423601967
Energy: 1.584605199855837
Energy: 1.657987285973782
Energy: 1.6699243302155622
Energy: 1.657987285973782
Energy: 1.861788384547448
Energy: 1.6583158074684674
Energy: 1.7486920004134796
Energy: 1.6583158074684674
Energy: 1.66899947553324
Energy: 1.6590757348155283
Energy: 1.703161630686989
Energy: 1.6590757348155283
Energy: 1.5990036204851694
Energy: 1.5879386239472093
Energy: 1.5991532039125307
Energy: 1.5879386239472093
Energy: 1.599871133554985
Energy: 1.5998791657870124
Energy: 1.5990372981880392
Energy: 1.5998791657870124
Energy: 1.708186289349164
Energy: 1.6585120632620498
Energy: 1.862784026213985
Energy: 1.6585120632620498

minimum gb energy = 1.584605199855837 eV
minimum distance =  2.61388533646052 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.8955219276432425
Energy: 1.635390320413038
Energy: 2.391797331454049
Energy: 1.635390320409922
Energy: 1.8508226608962286
Energy: 1.7325549320162053
Energy: 1.7938324147787192
Energy: 1.7325549320154259
Energy: 1.6677222147105508
Energy: 1.6363343169652909
Energy: 1.6582257870295412
Energy: 1.6363343169652909
Energy: 1.6444223137790503
Energy: 1.6496916556077965
Energy: 1.846487278597186
Energy: 1.6496916556077965
Energy: 1.6763716300036136
Energy: 1.6291891130336238
Energy: 1.6620411333023764
Energy: 1.6291891130336238
Energy: 1.6916066698166268
Energy: 1.6670221710259063
Energy: 1.6627951339017144
Energy: 1.6670221710266855
Energy: 1.6448966212768936
Energy: 1.643882625068159
Energy: 1.6297204107405097
Energy: 1.643882625068159
Energy: 1.643321100984282
Energy: 1.6434819325469117
Energy: 1.676134039265858
Energy: 1.6434819325453538
Energy: 1.9398066106863605
Energy: 1.6162948335489675
Energy: 1.8624913033006885
Energy: 1.6162948335458518
Energy: 1.992707237182601
Energy: 1.6162652003012876
Energy: 1.8599019656662952
Energy: 1.6162652002997298
Energy: 1.7204652084263978
Energy: 1.6197189573452662
Energy: 1.9593507405102792
Energy: 1.6197189573452662
Energy: 1.717419275566325
Energy: 1.6195398628811202
Energy: 1.742890079711882
Energy: 1.6195398628803415
Energy: 1.7010774249151641
Energy: 1.6509933445268883
Energy: 1.6632344421582537
Energy: 1.6509933445268883
Energy: 1.6414540336118193
Energy: 1.6291814813795227
Energy: 1.6617868764620614
Energy: 1.6291814813810805
Energy: 1.6420681014781908
Energy: 1.6770504141007438
Energy: 1.6701597578405316
Energy: 1.677050414099186
Energy: 1.6460570819134162
Energy: 1.6441325126592956
Energy: 1.6570258091160694
Energy: 1.6441325126592956
Energy: 1.861459424712248
Energy: 1.6213210303224597
Energy: 1.7119335782003935
Energy: 1.6213210303232386
Energy: 1.715886791013715
Energy: 1.6337578370747807
Energy: 1.9648012924298737
Energy: 1.633757837074002
Energy: 1.7542848516234257
Energy: 1.6089685295693998
Energy: 1.7512259360197322
Energy: 1.608968529570179
Energy: 2.128412906207803
Energy: 1.6286247794267783
Energy: 1.718177639527129
Energy: 1.6286247794259996
Energy: 1.7494384817610384
Energy: 1.7786807222793455
Energy: 1.9333248548432198
Energy: 1.7786807222770087
Energy: 1.6454706811301192
Energy: 1.6294185456896926
Energy: 1.6390628997515977
Energy: 1.6294185456896926
Energy: 1.7748294863324077
Energy: 1.6683023322214139
Energy: 1.71720220439584
Energy: 1.668302332223751
Energy: 1.6331931185555506
Energy: 1.6441171516707556
Energy: 1.6138527709085808
Energy: 1.6441171516645239
Energy: 1.6368651043091147
Energy: 1.6778752870607228
Energy: 1.7416701410594846
Energy: 1.677875287061502
Energy: 1.6689830966833683
Energy: 1.6298732301591654
Energy: 1.6411264219148267
Energy: 1.6298732301599443
Energy: 1.7824739054166527
Energy: 1.6302635935721932
Energy: 1.7226045818396893
Energy: 1.6302635935721932
Energy: 1.8522104888657174
Energy: 1.5977624013018614
Energy: 2.220921669800744
Energy: 1.5977624013034195
Energy: 1.8562868034258104
Energy: 1.598384599906161
Energy: 2.0142760379501086
Energy: 1.5983845999046031
Energy: 1.66737872567376
Energy: 1.63019377122406
Energy: 1.6408601584836386
Energy: 1.630193771221723
Energy: 1.6713663508424825
Energy: 1.6303363025582778
Energy: 1.7227353832455379
Energy: 1.6303363025574986
Energy: 1.6331316947417236
Energy: 1.6757627607477996
Energy: 1.6613094589853605
Energy: 1.6757627607454626
Energy: 1.6366074466510836
Energy: 1.6449947721246507
Energy: 1.6111316545749996
Energy: 1.6449947721262088
Energy: 1.7691250799754477
Energy: 1.649599367756708
Energy: 1.6398756675383437
Energy: 1.6495993677559289
Energy: 1.6433721935768166
Energy: 1.6303683244151312
Energy: 1.6765420815965753
Energy: 1.6303683244143523
Energy: 1.788968428859801
Energy: 1.6047878572128293
Energy: 1.836233637789573
Energy: 1.6047878572120504
Energy: 2.194758872641417
Energy: 1.6205596419808763
Energy: 1.717241974480724
Energy: 1.6205596419832133
Energy: 1.8445577969797518
Energy: 1.607420537229942
Energy: 1.84970743043695
Energy: 1.6074205372276051

minimum gb energy = 1.5977624013018614 eV
minimum distance =  2.61308169069888 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.759900560236805
Energy: 1.524388532154899
Energy: 2.0345562701766498
Energy: 1.524388532154899
Energy: 1.6313253988867278
Energy: 1.5440831699164053
Energy: 1.694424096978644
Energy: 1.5440831699164053
Energy: 1.791349813125186
Energy: 1.5115999863212854
Energy: 1.5316756097064341
Energy: 1.5115999863212854
Energy: 1.5968284968776256
Energy: 1.5958276746349342
Energy: 1.7915943385579396
Energy: 1.5958276746349342
Energy: 1.6138856715190186
Energy: 1.5767634807178919
Energy: 1.58455723954416
Energy: 1.5767634807178919
Energy: 1.5850717985794809
Energy: 1.7802290943826238
Energy: 1.5847514338546167
Energy: 1.7802290943826238
Energy: 1.5884712364035922
Energy: 1.5116316369787206
Energy: 1.5840646005869616
Energy: 1.5116316369787206
Energy: 1.5864267297783068
Energy: 1.5918403644223629
Energy: 1.7992023880382015
Energy: 1.5918403644223629
Energy: 1.7923995335280782
Energy: 1.5769970916903808
Energy: 1.50741399428025
Energy: 1.5769970916903808
Energy: 1.585308512607062
Energy: 1.5778838692645651
Energy: 1.5066741186779355
Energy: 1.5778838692645651
Energy: 1.691044453398341
Energy: 1.5117185000933504
Energy: 1.7991105336896511
Energy: 1.5117185000913125
Energy: 1.6907629371516746
Energy: 1.5127705607412731
Energy: 1.7994670506631472
Energy: 1.512770560739235
Energy: 1.792584516726908
Energy: 1.5768783759641816
Energy: 1.5072945713234909
Energy: 1.5768783759641816
Energy: 1.7913786864674799
Energy: 1.5783012779425405
Energy: 1.5071174146083297
Energy: 1.5783012779425405
Energy: 1.5871198953438503
Energy: 1.5772452323537185
Energy: 1.7992016024927178
Energy: 1.5772452323537185

minimum gb energy = 1.5066741186779355 eV
minimum distance =  2.61435692156368 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.6011622969403096
Energy: 1.4808466310318515
Energy: 1.983486185816833
Energy: 1.4808466310318515
Energy: 1.7082947640357686
Energy: 1.4776213710127797
Energy: 1.5251052113279935
Energy: 1.4776213710127797
Energy: 1.6474402901357015
Energy: 1.449426773520133
Energy: 1.5847029187913504
Energy: 1.449426773520133
Energy: 1.5683411666387403
Energy: 1.4761202057686127
Energy: 1.5249859605740792
Energy: 1.4761202057686127
Energy: 1.494743656842428
Energy: 1.4820494453721917
Energy: 1.5439340816846092
Energy: 1.4820494453730462
Energy: 1.6572598150827684
Energy: 1.4825551763775684
Energy: 1.5741529558891034
Energy: 1.4825551763775684
Energy: 1.5258285689333266
Energy: 1.449538596504305
Energy: 1.53716202770003
Energy: 1.449538596504305
Energy: 1.5315289446823543
Energy: 1.512047840379575
Energy: 1.525268590296723
Energy: 1.512047840379575
Energy: 1.535320194445229
Energy: 1.481967414232522
Energy: 1.4838682918385853
Energy: 1.481967414232522
Energy: 1.7514174478092206
Energy: 1.4827482499437377
Energy: 1.5978094759102082
Energy: 1.4827482499437377
Energy: 1.560923393940784
Energy: 1.4493669375902216
Energy: 1.639554308555142
Energy: 1.4493669375902216
Energy: 1.5527320059426928
Energy: 1.4504453418889907
Energy: 1.525340844556411
Energy: 1.4504453418881365
Energy: 1.6393178685653251
Energy: 1.4745338122548746
Energy: 1.5701645179014032
Energy: 1.4745338122557288
Energy: 1.6258708631093564
Energy: 1.4766904733983797
Energy: 1.736146996549573
Energy: 1.4766904733975252
Energy: 1.5609404061636016
Energy: 1.4496841458008451
Energy: 1.6381409481697136
Energy: 1.4496841458016994
Energy: 1.5525107478334366
Energy: 1.4504834451083624
Energy: 1.6480360075842937
Energy: 1.4504834451092166
Energy: 1.6401948325715292
Energy: 1.482323973609475
Energy: 1.4839696947456482
Energy: 1.482323973609475
Energy: 1.5436412873320133
Energy: 1.4827293615528556
Energy: 1.598482446561948
Energy: 1.4827293615537098
Energy: 1.5256769730040747
Energy: 1.4501591880618228
Energy: 1.5337084715534495
Energy: 1.4501591880618228
Energy: 1.5338804686475733
Energy: 1.4501468772511361
Energy: 1.5257096320043335
Energy: 1.450146877250282
Energy: 1.5984726468075035
Energy: 1.4827126851285708
Energy: 1.5435759534178917
Energy: 1.4827126851285708
Energy: 1.484010288951707
Energy: 1.4822960841119903
Energy: 1.6401948325749462
Energy: 1.4822960841119903
Energy: 1.6480360075834395
Energy: 1.450242505274004
Energy: 1.552442694391006
Energy: 1.450242505274004
Energy: 1.6381409481654423
Energy: 1.4496819483304106
Energy: 1.5610614861420968
Energy: 1.4496819483295564
Energy: 1.7363892046155613
Energy: 1.476758995107959
Energy: 1.6258802241134125
Energy: 1.476758995107959
Energy: 1.5704009846320404
Energy: 1.4746406205261964
Energy: 1.6393178685627623
Energy: 1.4746406205261964
Energy: 1.5253728461056768
Energy: 1.4506300530690008
Energy: 1.552529025854345
Energy: 1.4506300530690008
Energy: 1.639554308555142
Energy: 1.4493676157254445
Energy: 1.560915302886342
Energy: 1.4493676157254445
Energy: 1.597810687488116
Energy: 1.4827752399557292
Energy: 1.7516380587097677
Energy: 1.482775239954875
Energy: 1.4838923280803586
Energy: 1.4819652155991359
Energy: 1.5353114302797484
Energy: 1.48196521559999
Energy: 1.5251411967204394
Energy: 1.5121024271394534
Energy: 1.5315112320389765
Energy: 1.5121024271394534
Energy: 1.5374718946077426
Energy: 1.4495268379752655
Energy: 1.5259867474293705
Energy: 1.4495268379752655
Energy: 1.5744914659975375
Energy: 1.4832427572332176
Energy: 1.6571887009110327
Energy: 1.4832427572340718
Energy: 1.543886145992052
Energy: 1.4820419360931703
Energy: 1.494728467025994
Energy: 1.482041936092316
Energy: 1.5250832662568192
Energy: 1.4761321700680208
Energy: 1.5683774352139823
Energy: 1.4761321700680208

minimum gb energy = 1.4493669375902216 eV
minimum distance =  2.63995039408336 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.595134375426455
Energy: 1.3853887825451243
Energy: 1.9047184070806717
Energy: 1.3853887825451243
Energy: 1.6322721778926674
Energy: 1.4138790444771312
Energy: 1.4881030289872132
Energy: 1.413879044478601
Energy: 1.6295938504789356
Energy: 1.354816045309369
Energy: 1.5294532092607187
Energy: 1.3548160453108389
Energy: 1.5373567405997675
Energy: 1.4250317776704056
Energy: 1.5380201362377255
Energy: 1.4250317776718755
Energy: 1.4769830307510534
Energy: 1.3520329894817318
Energy: 1.6197111673147246
Energy: 1.3520329894817318
Energy: 1.5924471841403791
Energy: 1.3997448326601267
Energy: 1.5125693124057746
Energy: 1.3997448326601267
Energy: 1.4794757087462749
Energy: 1.3549160100961506
Energy: 1.4723136991913617
Energy: 1.3549160100961506
Energy: 1.479299574540899
Energy: 1.5284317309743243
Energy: 1.5658572901696028
Energy: 1.5284317309743243
Energy: 1.4875262574050736
Energy: 1.3519317772971964
Energy: 1.5039707843981962
Energy: 1.3519317772986326
Energy: 1.5924187435735966
Energy: 1.39975693651914
Energy: 1.5054946475978457
Energy: 1.39975693651914
Energy: 1.4414530344843801
Energy: 1.3548175711445773
Energy: 1.5491859486635509
Energy: 1.3548175711445773
Energy: 1.4554358331760704
Energy: 1.4036607869779434
Energy: 1.6237660544323476
Energy: 1.4036607869779434
Energy: 1.6291864232643796
Energy: 1.3524088694705745
Energy: 1.5211894108506672
Energy: 1.3524088694705745
Energy: 1.4340664649894386
Energy: 1.355022103205192
Energy: 1.5219202806855299
Energy: 1.355022103205192
Energy: 1.529738351179391
Energy: 1.3838134782647993
Energy: 1.6183561154587656
Energy: 1.3838134782647993
Energy: 1.5258739211808052
Energy: 1.3946761492586792
Energy: 1.5590537235552318
Energy: 1.3946761492586792
Energy: 1.629375313108069
Energy: 1.3526046838189063
Energy: 1.5212440769526978
Energy: 1.3526046838189063
Energy: 1.5363612602573538
Energy: 1.3556001292300008
Energy: 1.522145107806693
Energy: 1.3556001292300008
Energy: 1.441382419398597
Energy: 1.3549508238384058
Energy: 1.6185302383960405
Energy: 1.3549508238384058
Energy: 1.4425384006305613
Energy: 1.4031030660664718
Energy: 1.621501900874614
Energy: 1.4031030660664718

minimum gb energy = 1.3519317772971964 eV
minimum distance =  2.62669398314707 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.5050223730075907
Energy: 1.2659410925022472
Energy: 1.6860206783762066
Energy: 1.2659410925033947
Energy: 1.443361882080355
Energy: 1.376858210839028
Energy: 1.4407131806541986
Energy: 1.3768582108378804
Energy: 1.4535725805674988
Energy: 1.2408124060474477
Energy: 1.4673734795713176
Energy: 1.2408124060474477
Energy: 1.3970691286549666
Energy: 1.2557136147014143
Energy: 1.4665828334143718
Energy: 1.2557136147025625
Energy: 1.403409425837523
Energy: 1.2269356298048708
Energy: 1.4417928485362785
Energy: 1.2269356298037233
Energy: 1.3971778900739729
Energy: 1.2525216926725196
Energy: 1.4329602091711984
Energy: 1.2525216926748148
Energy: 1.3666970136551184
Energy: 1.2265514139165934
Energy: 1.40100686726885
Energy: 1.2265514139177411
Energy: 1.4008234902527699
Energy: 1.2533392605746276
Energy: 1.4527893336906634
Energy: 1.2533392605746276
Energy: 1.3597970142114693
Energy: 1.2271231207073376
Energy: 1.3854727843151065
Energy: 1.2271231207073376
Energy: 1.433741706196065
Energy: 1.318778637925446
Energy: 1.4000732987108568
Energy: 1.318778637925446
Energy: 1.3496737015501235
Energy: 1.2264963164784648
Energy: 1.3955367959606473
Energy: 1.2264963164784648
Energy: 1.3961557892826273
Energy: 1.253486941389872
Energy: 1.432464276650282
Energy: 1.253486941389872
Energy: 1.3692875839505034
Energy: 1.2271720391151855
Energy: 1.365856520252168
Energy: 1.2271720391151855
Energy: 1.4984059119298252
Energy: 1.252569131353936
Energy: 1.3532386226605344
Energy: 1.252569131353936
Energy: 1.3683859020199458
Energy: 1.2266165923745391
Energy: 1.444522728443003
Energy: 1.2266165923733914
Energy: 1.3907756821116763
Energy: 1.2267341803614773
Energy: 1.4414126315175302
Energy: 1.2267341803614773
Energy: 1.4491183290139489
Energy: 1.2400192204546687
Energy: 1.3528491428699836
Energy: 1.2400192204546687
Energy: 1.3405581613573845
Energy: 1.2815797781143003
Energy: 1.3524901919751424
Energy: 1.2815797781143003
Energy: 1.3817068851229646
Energy: 1.2637926415962202
Energy: 1.4412836665928548
Energy: 1.2637926415962202
Energy: 1.4433433657827819
Energy: 1.265162464516295
Energy: 1.3880235726185992
Energy: 1.265162464517443
Energy: 1.4488223388209949
Energy: 1.2388972613239693
Energy: 1.3531478636022998
Energy: 1.2388972613251172
Energy: 1.4172752750075557
Energy: 1.254100362884712
Energy: 1.3856221217762315
Energy: 1.254100362884712
Energy: 1.3685121415708548
Energy: 1.2267681356924163
Energy: 1.4413511407634778
Energy: 1.2267681356924163
Energy: 1.4241680503139214
Energy: 1.2260954950346798
Energy: 1.4190874756644543
Energy: 1.2260954950346798
Energy: 1.3664624174968956
Energy: 1.227258051896564
Energy: 1.3658628491994491
Energy: 1.227258051896564
Energy: 1.4598905749030269
Energy: 1.251775019598132
Energy: 1.3533882588613193
Energy: 1.2517750195969846

minimum gb energy = 1.2260954950346798 eV
minimum distance =  2.63928376076377 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.449818147163434
Energy: 1.1736380515857379
Energy: 1.5245294612060505
Energy: 1.1736380515857379
Energy: 1.2966861671674235
Energy: 1.19050000641616
Energy: 1.3175549430499933
Energy: 1.190500006414278
Energy: 1.3229606868636132
Energy: 1.146199963459988
Energy: 1.388392548029711
Energy: 1.146199963459047
Energy: 1.3187507753382826
Energy: 1.2394084448246239
Energy: 1.31754737986749
Energy: 1.2394084448236828
Energy: 1.3694326263505563
Energy: 1.1302553440603904
Energy: 1.3136407978727551
Energy: 1.1302553440594494
Energy: 1.3192779512495334
Energy: 1.1515784425358484
Energy: 1.295161713480505
Energy: 1.1515784425367892
Energy: 1.3266087859962465
Energy: 1.123091957650196
Energy: 1.323008988706045
Energy: 1.123091957650196
Energy: 1.3177622117259622
Energy: 1.1572248819424764
Energy: 1.294810113074362
Energy: 1.157224881943417
Energy: 1.3246834332571213
Energy: 1.1229870591789732
Energy: 1.282231863178105
Energy: 1.1229870591789732
Energy: 1.3180206421337095
Energy: 1.1960183074017992
Energy: 1.312528579699428
Energy: 1.1960183074008581
Energy: 1.3018545088066675
Energy: 1.1234224696435717
Energy: 1.2883211644057524
Energy: 1.1234224696454536
Energy: 1.2976157436362443
Energy: 1.1767889656006614
Energy: 1.3119422283073314
Energy: 1.1767889656006614
Energy: 1.3109920764200012
Energy: 1.1230515029585575
Energy: 1.2789983649089642
Energy: 1.1230515029557349
Energy: 1.3174493823185278
Energy: 1.1388098294343876
Energy: 1.2985236707143206
Energy: 1.1388098294362694
Energy: 1.292409728633247
Energy: 1.1233853109053638
Energy: 1.2875038464548791
Energy: 1.1233853109063048
Energy: 1.2710560028919795
Energy: 1.1389962809343235
Energy: 1.3371968579337117
Energy: 1.1389962809343235
Energy: 1.3321154931292922
Energy: 1.1229354212367837
Energy: 1.2911523852419875
Energy: 1.1229354212386653
Energy: 1.3140267776748822
Energy: 1.123286195012734
Energy: 1.2626728167138388
Energy: 1.1232861950136748
Energy: 1.2504527350545167
Energy: 1.1291924635580424
Energy: 1.3155631736136586
Energy: 1.1291924635580424
Energy: 1.2539039474170364
Energy: 1.222833751359596
Energy: 1.2597905020484677
Energy: 1.222833751358655
Energy: 1.3192779375224317
Energy: 1.144086653881697
Energy: 1.2633290183574177
Energy: 1.144086653881697
Energy: 1.2602819596028678
Energy: 1.1756495896066113
Energy: 1.3122198551439623
Energy: 1.1756495896094339
Energy: 1.30051044653068
Energy: 1.1723660956029134
Energy: 1.318685052685961
Energy: 1.1723660956019726
Energy: 1.333341524473421
Energy: 1.1800931479196406
Energy: 1.2952947670626505
Energy: 1.1800931479186996
Energy: 1.318607112241036
Energy: 1.1440950706322621
Energy: 1.2633821853151572
Energy: 1.1440950706322621
Energy: 1.3141740897794447
Energy: 1.146369816931263
Energy: 1.3119876346899755
Energy: 1.1463698169303222
Energy: 1.2502992833505155
Energy: 1.1295341814024678
Energy: 1.3198168112782163
Energy: 1.1295341814024678
Energy: 1.2984463846409673
Energy: 1.1405781471724372
Energy: 1.336723973597759
Energy: 1.1405781471733782
Energy: 1.326196750532232
Energy: 1.1226577311328012
Energy: 1.2911456612392982
Energy: 1.1226577311309194
Energy: 1.3179860965752108
Energy: 1.1226706196000191
Energy: 1.2997008088391528
Energy: 1.1226706196009602
Energy: 1.2923299909541108
Energy: 1.1231464871788746
Energy: 1.2818661213787352
Energy: 1.123146487177934
Energy: 1.2705681108014693
Energy: 1.1384517181542608
Energy: 1.3435061438268692
Energy: 1.1384517181552019

minimum gb energy = 1.1226577311309194 eV
minimum distance =  2.64796004960396 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.3660381689643608
Energy: 1.0909937140267483
Energy: 1.4343324991032227
Energy: 1.0909937140291392
Energy: 1.240510313357771
Energy: 1.1642062925522634
Energy: 1.228425073229686
Energy: 1.1642062925538574
Energy: 1.221632382870974
Energy: 1.074217499030367
Energy: 1.3242025337595926
Energy: 1.07421749902957
Energy: 1.2266129586989842
Energy: 1.0818582834307209
Energy: 1.2285449842492546
Energy: 1.0818582834331123
Energy: 1.3004166008916584
Energy: 1.056920560727387
Energy: 1.215188086018537
Energy: 1.056920560728184
Energy: 1.2266185933631701
Energy: 1.140482973914923
Energy: 1.2263630950194084
Energy: 1.14048297391572
Energy: 1.224960563927357
Energy: 1.0422459503510162
Energy: 1.2634315803420908
Energy: 1.0422459503526103
Energy: 1.2157085511336594
Energy: 1.1389115531704819
Energy: 1.2278872403367396
Energy: 1.1389115531704819
Energy: 1.252276603400941
Energy: 1.039348798378158
Energy: 1.1963861603895527
Energy: 1.039348798379752
Energy: 1.2154220655570471
Energy: 1.06127229478191
Energy: 1.2308777477935484
Energy: 1.0612722947843012
Energy: 1.2102019112748645
Energy: 1.038906839841279
Energy: 1.2205083494739646
Energy: 1.038906839841279
Energy: 1.2272805512517064
Energy: 1.0853149619610187
Energy: 1.2306098307826814
Energy: 1.0853149619586278
Energy: 1.2222715253569882
Energy: 1.039073781324577
Energy: 1.195682925642237
Energy: 1.03907378132378
Energy: 1.2263865128102582
Energy: 1.073300386038441
Energy: 1.219175764824255
Energy: 1.073300386039238
Energy: 1.214631980348964
Energy: 1.039008186735191
Energy: 1.2004316552639511
Energy: 1.0390081867359882
Energy: 1.2216192352918611
Energy: 1.0733273328716717
Energy: 1.2301699618079736
Energy: 1.0733273328708748
Energy: 1.2153437086128127
Energy: 1.0393090873293658
Energy: 1.2133967882765258
Energy: 1.0393090873253805
Energy: 1.237327803664893
Energy: 1.0494852999733018
Energy: 1.203096895360087
Energy: 1.049485299970983
Energy: 1.223816917550819
Energy: 1.0392786840321284
Energy: 1.2009820759184338
Energy: 1.0392786840321284
Energy: 1.2172816841270968
Energy: 1.0609085067902573
Energy: 1.2220419504495468
Energy: 1.0609085067910544
Energy: 1.2301866319230963
Energy: 1.0427376234850847
Energy: 1.177337825287493
Energy: 1.042737623486679
Energy: 1.2367835406384098
Energy: 1.1295961240127212
Energy: 1.1796779817476648
Energy: 1.1295961240127212
Energy: 1.1853383784407316
Energy: 1.0565840086501272
Energy: 1.2166606928653974
Energy: 1.0565840086509244
Energy: 1.2189141933752539
Energy: 1.1483400868095373
Energy: 1.2358430665512508
Energy: 1.1483400868103346
Energy: 1.2190484039484921
Energy: 1.0705672776693183
Energy: 1.2082894609233004
Energy: 1.070567277667724
Energy: 1.1858798828723487
Energy: 1.1529852369484683
Energy: 1.2311259053777617
Energy: 1.1529852369476714
Energy: 1.2171930076005393
Energy: 1.0897995623276564
Energy: 1.219453910387806
Energy: 1.0897995623276564
Energy: 1.2405680881608596
Energy: 1.1090684639904997
Energy: 1.235313799712634
Energy: 1.1090684639897026
Energy: 1.228582547870312
Energy: 1.0704810669259814
Energy: 1.2080077796870168
Energy: 1.0704810669267788
Energy: 1.2378489152742402
Energy: 1.0751053083314077
Energy: 1.2309626366982223
Energy: 1.0751053083322049
Energy: 1.186310315063674
Energy: 1.056791302072783
Energy: 1.2191384689817024
Energy: 1.056791302071986
Energy: 1.2187988554345475
Energy: 1.0724772232143593
Energy: 1.2224255125357386
Energy: 1.072477223215156
Energy: 1.2253206755021544
Energy: 1.0427802585149362
Energy: 1.177441706067841
Energy: 1.0427802585165302
Energy: 1.2376631451678635
Energy: 1.0497310570078568
Energy: 1.2181142631021635
Energy: 1.0497310570070597
Energy: 1.223750903778129
Energy: 1.0390874258990443
Energy: 1.2348105757221675
Energy: 1.0390874258966531
Energy: 1.220133292131985
Energy: 1.06036460217911
Energy: 1.2307741220086625
Energy: 1.0603646021822983
Energy: 1.2063536361550058
Energy: 1.0391302680691374
Energy: 1.2134124065067549
Energy: 1.039130268065949

minimum gb energy = 1.038906839841279 eV
minimum distance =  2.65676887350436 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.2873903460703524
Energy: 1.0192018924319157
Energy: 1.2838794920251482
Energy: 1.019201892432607
Energy: 1.1207270848487243
Energy: 1.0273948553322003
Energy: 1.1263935422930713
Energy: 1.0273948553328915
Energy: 1.109205574835926
Energy: 1.0137496627981182
Energy: 1.2428792203049976
Energy: 1.0137496627981182
Energy: 1.109081255759611
Energy: 1.022779444015519
Energy: 1.12645473254142
Energy: 1.0227794440162103
Energy: 1.2597367110528364
Energy: 0.9693997953388362
Energy: 1.1107421962502413
Energy: 0.9693997953388362
Energy: 1.109174530381507
Energy: 1.0230051629229553
Energy: 1.1196197268838
Energy: 1.0230051629236465
Energy: 1.1247967071854559
Energy: 0.9696006874703683
Energy: 1.2242119622047494
Energy: 0.9696006874696769
Energy: 1.1217118090952334
Energy: 0.9450600824419594
Energy: 1.1194653257158358
Energy: 0.9450600824426508
Energy: 1.186223280686421
Energy: 0.944927203545095
Energy: 1.143224366627559
Energy: 0.9449272035457862
Energy: 1.1217030744067342
Energy: 0.9521042557443348
Energy: 1.1281459702431216
Energy: 0.9521042557443348
Energy: 1.094525426261695
Energy: 0.9448586131288556
Energy: 1.1691380068840553
Energy: 0.9448586131281643
Energy: 1.1481359987103572
Energy: 0.9584750803889317
Energy: 1.1274983297749028
Energy: 0.9584750803889317
Energy: 1.1306150630600003
Energy: 0.9450269260418143
Energy: 1.1168884451333538
Energy: 0.9450269260418143
Energy: 1.1482215784733594
Energy: 0.9954244140333651
Energy: 1.1451933777953185
Energy: 0.9954244140340565
Energy: 1.0920206502929417
Energy: 0.9451208670931235
Energy: 1.1345052674047102
Energy: 0.9451208670931235
Energy: 1.1389548461089576
Energy: 0.9914156410703058
Energy: 1.144514942872236
Energy: 0.9914156410703058
Energy: 1.0982048855709494
Energy: 0.9450187459848064
Energy: 1.1196666954200771
Energy: 0.945018745986189
Energy: 1.1475732818210507
Energy: 0.9933924269175951
Energy: 1.1449485592045108
Energy: 0.9933924269175951
Energy: 1.1149522993156047
Energy: 0.9451083717116032
Energy: 1.1246052713939556
Energy: 0.9451083717109118
Energy: 1.1243374194138986
Energy: 0.9561372789357081
Energy: 1.1442066651222145
Energy: 0.9561372789350167
Energy: 1.09474980940353
Energy: 0.9438914225447966
Energy: 1.1382256689593921
Energy: 0.9438914225447966
Energy: 1.1232860926691082
Energy: 0.9584700489522111
Energy: 1.1273115274065517
Energy: 0.9584700489515197
Energy: 1.1508839092732126
Energy: 0.9438223713299607
Energy: 1.1405883845943399
Energy: 0.9438223713299607
Energy: 1.1240614144436236
Energy: 1.0304101136654114
Energy: 1.1120873878773718
Energy: 1.0304101136654114
Energy: 1.1280158251031318
Energy: 0.9684083044323158
Energy: 1.0949715458192821
Energy: 0.9684083044323158
Energy: 1.1091690428117478
Energy: 1.0228405295028062
Energy: 1.1192761719200859
Energy: 1.0228405295034975
Energy: 1.1206513239214404
Energy: 0.9693179150630964
Energy: 1.111933440240188
Energy: 0.9693179150637878
Energy: 1.1361367585225506
Energy: 1.028325756162191
Energy: 1.1018500079363984
Energy: 1.028325756162191
Energy: 1.1072030157079193
Energy: 1.0137092181410003
Energy: 1.1185480516102215
Energy: 1.0137092181410003
Energy: 1.0988748716242838
Energy: 1.027466309157374
Energy: 1.126541437330968
Energy: 1.027466309157374
Energy: 1.1636231560022503
Energy: 1.0190361254190559
Energy: 1.114536259922113
Energy: 1.0190361254190559
Energy: 1.1628113436991427
Energy: 0.9808880615395731
Energy: 1.1022452106762595
Energy: 0.9808880615416471
Energy: 1.1069355163462464
Energy: 1.0137771311355575
Energy: 1.1184083402294145
Energy: 1.013777131136249
Energy: 1.1093583218637937
Energy: 0.9549507178530517
Energy: 1.126362179357195
Energy: 0.9549507178530517
Energy: 1.1205707356317995
Energy: 0.9693537454537304
Energy: 1.114259146479667
Energy: 0.9693537454544218
Energy: 1.1359213783154063
Energy: 0.9476636716437168
Energy: 1.1117253319761184
Energy: 0.947663671644408
Energy: 1.1254140582676986
Energy: 0.9685072815562091
Energy: 1.0949798600221827
Energy: 0.9685072815555179
Energy: 1.1226076225387214
Energy: 0.9444031168584042
Energy: 1.119716849847245
Energy: 0.9444031168577128
Energy: 1.1504766539743707
Energy: 0.9438901889756108
Energy: 1.1401188339895099
Energy: 0.9438901889756108
Energy: 1.1242169551095071
Energy: 0.9408595468484546
Energy: 1.1438104971581515
Energy: 0.9408595468477634
Energy: 1.0916847274252177
Energy: 0.9439419486692429
Energy: 1.1382789415725656
Energy: 0.9439419486692429
Energy: 1.148258729879252
Energy: 0.9596048918621477
Energy: 1.1275823692752438
Energy: 0.9596048918628389
Energy: 1.1150862926637548
Energy: 0.9400351875224328
Energy: 1.1190773973582253
Energy: 0.9400351875224328

minimum gb energy = 0.9400351875224328 eV
minimum distance =  2.66085136500428 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01957309314860622
Energy: 0.020105119548095806
Energy: 2.0120730381520207
Energy: 0.020105119548597717
Energy: 0.020594811668120435
Energy: 0.9621949841943236
Energy: 0.020594811667589003
Energy: 0.9621949841943236
Energy: 1.8126918018668945
Energy: 0.020105119548597717
Energy: 0.01957309314860622
Energy: 0.020105119548597717
Energy: 0.020594811671220462
Energy: 0.9621949841937921
Energy: 0.0205948116722538
Energy: 0.9621949841937921
Energy: 0.01957309314860622
Energy: 0.020105119548095806
Energy: 2.012073038152523
Energy: 0.020105119548095806
Energy: 0.02059481166915377
Energy: 0.9621949841948255
Energy: 0.02059481166448898
Energy: 0.9621949841943236

minimum gb energy = 0.01957309314860622 eV
minimum distance =  2.83543101602596 Angstroms
sigma value = 1