Model name: model_name=EAM_Dynamo_Mendelev_2003_Fe__MO_546673549085_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583648025989532
cohesive_energy=4.00235933894197
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: 0.015087045750503502
Energy: 0.015963416056414017
Energy: 0.015518770873716066
Energy: 0.015963416055835605
Energy: 0.01596341605522317
Energy: 1.0704112798296905
Energy: 0.01596341605522317
Energy: 1.0704112798296905
Energy: 0.015518770870721938
Energy: 0.015963416054610737
Energy: 0.015087045750503502
Energy: 0.01596341605522317
Energy: 0.01596341605522317
Energy: 1.0704112798296905
Energy: 0.015963416055835605
Energy: 1.0704112798296905

minimum gb energy = 0.015087045750503502 eV
minimum distance =  2.49992246169675 Angstroms
sigma value = 1


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

Energy: -2.699009285879903
Energy: 0.6859221061675244
Energy: 0.1815731197222036
Energy: 0.6859221061697525
Energy: -2.5097726699884597
Energy: -2.341396899721631
Energy: -2.468826308838977
Energy: -2.34127166617283
Energy: -2.294567887601289
Energy: 0.655200109933914
Energy: -2.4599421866743203
Energy: 0.6552001099346568
Energy: -2.403369735545098
Energy: 0.6167559197668603
Energy: -2.309227630756254
Energy: 0.6167559197653747
Energy: -2.224923366312293
Energy: 0.6772179451540759
Energy: -2.21439386027485
Energy: 0.6772179451533331
Energy: -2.607777513666154
Energy: 0.8469628500287606
Energy: -2.1047493950361793
Energy: 0.8469628500257895
Energy: -2.5040438149493984
Energy: 0.6450706866930513
Energy: -2.503886817659126
Energy: 0.6450706868237756
Energy: -2.4269403611616167
Energy: 0.6753083798936043
Energy: -1.8909262436057774
Energy: 0.6753083798898905
Energy: -2.550942360691708
Energy: -2.3690345091109224
Energy: -2.456786534498236
Energy: -2.5927314632533873
Energy: -2.162842405512244
Energy: 0.6684328522604865
Energy: 0.130276515908359
Energy: 0.6684328522619721
Energy: -2.778071233666238
Energy: -2.1637784660190076
Energy: -2.3126695587298265
Energy: -2.2843540134411695
Energy: -2.0460100050514214
Energy: 0.6852110642172677
Energy: -2.2966311181684387
Energy: 0.6852110642180105
Energy: -2.4047733926668626
Energy: 0.6554972723773574
Energy: -2.561925180637778
Energy: 0.6554972723766148
Energy: -2.465400789868115
Energy: 0.6634423559869391
Energy: -2.0811904215439103
Energy: 0.6634423559847109
Energy: -2.2751869932239366
Energy: 0.6772676595464165
Energy: -2.4353954524254355
Energy: 0.677267659544931
Energy: -1.9590312366090843
Energy: 0.6815020336707192
Energy: -2.419548628714099
Energy: 0.6815020336729474
Energy: -2.5255336008011757
Energy: 0.654256985785374
Energy: -2.3180609001684847
Energy: 0.6542569857838885
Energy: -2.6636767024515398
Energy: -1.8715441483941027
Energy: -2.51315946051461
Energy: -2.063120456999964
Energy: 0.12832121466505764
Energy: 0.6867498637369716
Energy: -2.5595760508857706
Energy: 0.6867498637377142
Energy: -2.5969844093047794
Energy: -2.1486521209714753
Energy: -2.2711386280949526
Energy: -2.2974185184913782
Energy: -2.199559396843792
Energy: 0.6541460188503597
Energy: -1.80526851773968
Energy: 0.6541460188488742
Energy: -2.5303995211679924
Energy: -2.584899191109853
Energy: -2.211598722327311
Energy: -2.8280912241575424
Energy: -2.5821053485147885
Energy: 0.6764688537341459
Energy: -2.188541864469846
Energy: 0.6764688537348885
Energy: -2.236829684722218
Energy: 0.6553336973451624
Energy: -2.464917804043937
Energy: 0.6553336973444196
Energy: -2.6035939293393446
Energy: 0.8492571632532623
Energy: -2.5666000293726836
Energy: 0.8492571632525195
Energy: -2.0223433794649632
Energy: 0.6752577888884547
Energy: -2.3626254982830024
Energy: 0.6752577888832555
Energy: -2.2757912094459516
Energy: 0.8323442789260687
Energy: -2.441094414471899
Energy: 0.8323442789268115
Energy: -1.9580874626709768
Energy: 0.6665613486558755
Energy: -2.5106955170396996
Energy: 0.6665613486566182
Energy: -2.4936354886854106
Energy: -2.118406524035599
Energy: -2.1939644652013235
Energy: -2.117639859105324
Energy: -2.607148670935509
Energy: 0.6863501883402012
Energy: -2.0118254411038414
Energy: 0.6863501883424294
Energy: -2.454674535486046
Energy: 0.6699943536329415
Energy: -2.500168653021401
Energy: 0.6699943536344269
Energy: -2.0854535825570673
Energy: 0.6585898044904995
Energy: -2.5081809021694292
Energy: 0.6585898044912423
Energy: -2.2747856198284904
Energy: 0.6878160901352754
Energy: -2.261881923339016
Energy: 0.6878160901389891

minimum gb energy = -2.8280912241575424 eV
minimum distance =  2.23907843790364 Angstroms
sigma value = 1


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

Energy: -1.8355743933293582
Energy: 0.759741649831419
Energy: 0.3134926501866778
Energy: 0.7597416498288785
Energy: -1.7216701240037569
Energy: 0.6653175010356941
Energy: -1.781375785348935
Energy: 0.6653175010356941
Energy: -1.3546600485900213
Energy: 0.7618166307622088
Energy: -1.932812376757521
Energy: 0.7618166307630557
Energy: -1.8186011696283286
Energy: 0.7454194359319906
Energy: -1.8292182606819098
Energy: 0.7454194359311438
Energy: -1.6406115854023435
Energy: 0.7332104505198901
Energy: -1.7955799986311767
Energy: 0.733210450526665
Energy: -1.9775393167064113
Energy: 0.7334453649088719
Energy: -1.6308878332568197
Energy: 0.7334453649063315
Energy: -1.7365012780345876
Energy: -1.7863190529990125
Energy: -1.7915638386354706
Energy: -1.8634821542134152
Energy: 0.22848445505530376
Energy: 0.7617852376808871
Energy: -1.4163775466108066
Energy: 0.761785237687662
Energy: -1.6606946855599256
Energy: 0.8343065780256583
Energy: -2.0030504501051287
Energy: 0.8343065780239646
Energy: -1.7268942438223163
Energy: 0.7623262288418489
Energy: 0.24654658705633017
Energy: 0.7623262288435426
Energy: -1.7318746778439216
Energy: 0.6616285534444328
Energy: -1.9471195835207995
Energy: 0.6616285534452796
Energy: -1.530854531852795
Energy: 0.7472741590597981
Energy: -1.8518741785794024
Energy: 0.747274159065726
Energy: -2.1358764039884854
Energy: 0.7363679176116638
Energy: -1.6596330417797305
Energy: 0.7363679176133573
Energy: -2.0224553662932108
Energy: 0.7359459643056662
Energy: -1.5567995735434386
Energy: 0.7359459643014318
Energy: -1.687883450039719
Energy: 0.7475489881437182
Energy: -1.646012849895484
Energy: 0.7475489881471056
Energy: -1.852619518473109
Energy: 0.6651132469660368
Energy: -1.7943267881143234
Energy: 0.6651132469677306
Energy: -1.684182723335608
Energy: 0.7614459895846778
Energy: 0.283298733503577
Energy: 0.7614459895872184
Energy: -1.7234018103334057
Energy: -1.7611935137832841
Energy: -1.8297709321615019
Energy: -1.7193580742832126
Energy: 0.228160955258469
Energy: 0.7614263234309218
Energy: -1.408108961280693
Energy: 0.7614263234351174
Energy: -1.706138447125103
Energy: -1.8211879123840913
Energy: -1.8831409747023264
Energy: -1.8127227183964763
Energy: -1.754770186725071
Energy: 0.7330186834619921
Energy: -1.5019873226917886
Energy: 0.7330186834611452
Energy: -1.812370401657219
Energy: 0.7334772952783013
Energy: -1.4274789638998706
Energy: 0.7334772952791482
Energy: -1.6340754612718293
Energy: 0.7430554586038461
Energy: -1.45908437357605
Energy: 0.7430554586063866
Energy: -1.489556134767178
Energy: 0.7615582844802796
Energy: -1.6125287464392806
Energy: 0.7615582844743515
Energy: -1.7320619257349625
Energy: 0.6737411408744335
Energy: -1.7491097904828208
Energy: 0.6737411408820554
Energy: -1.8195792530192831
Energy: 0.759741649831419
Energy: 0.33203480518074574
Energy: 0.7597416498297253
Energy: -1.6391674097709914
Energy: 0.6653175010331536
Energy: -1.6629962746243658
Energy: 0.6653175010323067
Energy: -1.6509081708994768
Energy: 0.7618166307630557
Energy: -2.0861399560992413
Energy: 0.7618166307622088
Energy: -1.627792281429079
Energy: 0.7454194359345312
Energy: -1.7352910559035306
Energy: 0.7454194359328374

minimum gb energy = -2.1358764039884854 eV
minimum distance =  2.23479922012696 Angstroms
sigma value = 25


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

Energy: -1.309719193737359
Energy: 0.8192894142821678
Energy: 0.0858655406510511
Energy: 0.8192894142831523
Energy: -1.2244983147232489
Energy: 0.6441280767491367
Energy: -1.524267258943817
Energy: 0.6441280767215717
Energy: -0.9487630238907109
Energy: 0.8610578333839458
Energy: -1.1717012744521347
Energy: 0.8610578333839458
Energy: -0.7565067453154005
Energy: 0.8501149405893793
Energy: -1.0135970299332822
Energy: 0.8501149405883949
Energy: -1.1837165144789252
Energy: 0.8326205224179996
Energy: -0.919479118172609
Energy: 0.8326205224179996
Energy: -1.3306043021205243
Energy: 0.8629472124820534
Energy: -1.1098206695976893
Energy: 0.8629472124830379
Energy: -1.405382421310979
Energy: -0.9452362102140736
Energy: -1.394198047466769
Energy: -0.9455647307082061
Energy: -1.482075304266921
Energy: 0.820812938026164
Energy: -1.0836825405718495
Energy: 0.8208129380251795
Energy: -1.2898632525134195
Energy: 0.741246399210694
Energy: -1.1561013508653586
Energy: 0.741246399210694
Energy: -1.020815673476926
Energy: 0.8632770368446057
Energy: -0.9981913244630789
Energy: 0.8632770368436211
Energy: -1.166905793642184
Energy: 0.8388512354001172
Energy: -1.155174280237935
Energy: 0.838851235402086
Energy: -1.1588024689878174
Energy: 0.8280345764726664
Energy: -1.1954928227267436
Energy: 0.828034576471682
Energy: -1.0313413454036608
Energy: 0.8413218511924122
Energy: -0.931325353757484
Energy: 0.8413218511953655
Energy: -1.450676437493597
Energy: -1.0324940303904475
Energy: -1.1937444181702046
Energy: -1.1968933960538557
Energy: 0.3612826642728608
Energy: 0.8262493067503511
Energy: -1.1279786677451027
Energy: 0.8262493067503511
Energy: -1.667576500076703
Energy: -1.251929110017671
Energy: -1.113010868317657
Energy: -1.283609592323431
Energy: 0.35353297215967366
Energy: 0.8611039426276275
Energy: -0.8956371828100338
Energy: 0.8611039426276275
Energy: -1.1613087478920385
Energy: 0.7015324700874501
Energy: -0.9596434232965297
Energy: 0.7015324699398702
Energy: -1.012267820879104
Energy: 0.8393836733943812
Energy: -1.1669143170701783
Energy: 0.8393836733953657
Energy: -1.2419535003061712
Energy: 0.8630422786255106
Energy: -1.0361836525941488
Energy: 0.8630422786235419
Energy: -1.315012744603337
Energy: 0.8168369164442842
Energy: -1.58368376036912
Energy: 0.8168369164452687
Energy: -1.4258193490270932
Energy: 0.8194838804405294
Energy: -1.1331655770445987
Energy: 0.819483880439545
Energy: -1.1664689552808243
Energy: 0.819516960679476
Energy: -1.527166959659856
Energy: 0.819516960677507
Energy: -0.9195863171485213
Energy: 0.8607647857360561
Energy: -1.0587529036574779
Energy: 0.8607647857360561
Energy: -1.2693910786243714
Energy: -1.2558080936328317
Energy: -0.995380901739713
Energy: -1.154862459565172

minimum gb energy = -1.667576500076703 eV
minimum distance =  2.17697169106538 Angstroms
sigma value = 9


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

Energy: -0.6108933089038067
Energy: 0.9518427834180905
Energy: -1.273713309157011
Energy: 0.9518427834180905
Energy: -0.6494810829923895
Energy: 0.7798769336245343
Energy: -0.6668770407531193
Energy: 0.7798769336491698
Energy: -0.361976742535748
Energy: 0.9611716158606294
Energy: -0.2984549736984534
Energy: 0.9611716158594548
Energy: -0.8035296398698447
Energy: 0.9808979614183513
Energy: -0.4935942922139647
Energy: 0.9808979614171769
Energy: -0.7742312015832917
Energy: 0.7788856564073012
Energy: -0.6431153666622633
Energy: 0.7788856564589479
Energy: 0.48294500243408817
Energy: 0.9560852082611462
Energy: -0.6285182053349011
Energy: 0.9560852082599716
Energy: -1.1015038565301156
Energy: -0.32761300558874573
Energy: -0.4970133393167207
Energy: -0.3213366246372253
Energy: -0.7037975390952368
Energy: 0.9548694072100076
Energy: -0.4818359341366274
Energy: 0.954869407206511
Energy: -0.6135216973902211
Energy: 0.7788838668481838
Energy: -0.2672086225134578
Energy: 0.7788838702700182
Energy: -0.7568637963169925
Energy: 0.9535598480753439
Energy: -0.6711193375558899
Energy: 0.9535598480753439
Energy: -0.5411306222827414
Energy: 0.9273381141917812
Energy: -0.19729787187322284
Energy: 0.9273381141906066
Energy: -0.849150001719203
Energy: 0.7551655977760624
Energy: -0.5296549734101027
Energy: 0.7551655974109862
Energy: 0.47246949453518317
Energy: 0.9555060666602683
Energy: 0.5461748227895424
Energy: 0.9555060666614426
Energy: -0.7687060486841352
Energy: -0.41589389264868465
Energy: -0.4403409751024579
Energy: -0.4499118236252087
Energy: -0.29385557036634075
Energy: 0.9555289574956384
Energy: -0.28193137049830774
Energy: 0.9555289574968127
Energy: -0.6876550847743224
Energy: 0.7491761269961528
Energy: -0.5070959341995904
Energy: 0.7491761269808858
Energy: -0.6545421219355526
Energy: 0.926946282798691
Energy: -0.37242407133259625
Energy: 0.9269462827951678
Energy: -0.6537210385783296
Energy: 0.9544733433862804
Energy: -0.7163079094632157
Energy: 0.9544733433862804
Energy: -0.6740092176595559
Energy: 0.7741072387057559
Energy: -0.6786042265564186
Energy: 0.774107241079311
Energy: -0.575061787239196
Energy: 0.9552531221304883
Energy: -0.5918654265657249
Energy: 0.9552531221304883
Energy: -1.0866989708780836
Energy: -0.3802394845390372
Energy: -0.4600886815242739
Energy: -0.4701163549869379

minimum gb energy = -1.273713309157011 eV
minimum distance =  2.21054241994206 Angstroms
sigma value = 25


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

Energy: 0.7757853268854399
Energy: 1.0278724656684366
Energy: -0.7684427705348599
Energy: 1.027872465669889
Energy: 0.740557814099978
Energy: 0.9058956629598662
Energy: 0.7077071863301225
Energy: 0.9058956629598662
Energy: 0.5846437539589086
Energy: 1.099444989399109
Energy: 0.7141217217986511
Energy: 1.0994449894005613
Energy: 0.7680294647023079
Energy: 1.0198301941992196
Energy: 0.5927347505410497
Energy: 1.0198301941992196
Energy: 0.595184163320136
Energy: 0.7416721076606926
Energy: 0.7454305703356903
Energy: 0.7416721076577878
Energy: 0.7113467081551319
Energy: 1.0906137650752494
Energy: 0.7182828671323918
Energy: 1.0906137650767018
Energy: 0.7320026837938393
Energy: 0.8771750136566688
Energy: 0.713472818408093
Energy: 0.8771750136595735
Energy: 0.5880949010047237
Energy: 1.0283656924906932
Energy: 0.7775139541730183
Energy: 1.0283656924906932
Energy: 0.7136062085630092
Energy: 0.9047673644860057
Energy: 0.7411945887438746
Energy: 0.9047673644860057
Energy: 0.658310399863626
Energy: 0.9367242784431642
Energy: 0.7130121063225646
Energy: 0.9367242784431642
Energy: 0.6935042763114648
Energy: 1.0277125935846427
Energy: -0.6401502429439216
Energy: 1.0277125935846427
Energy: 0.7086290291626699
Energy: 0.8360637936283045
Energy: 0.5999290751599599
Energy: 0.8360637936239474
Energy: 0.6366867407695747
Energy: 1.083852274620527
Energy: 0.7109606763679366
Energy: 1.0838522746190746
Energy: 0.7131827592659458
Energy: 0.8821976248257699
Energy: 0.8125019855334679
Energy: 0.8821976248257699
Energy: 0.7436896914118879
Energy: 1.0267635821175871
Energy: 0.584967049468891
Energy: 1.0267635821190395
Energy: 0.74404812402657
Energy: 0.9370100324896279
Energy: 0.7123400674642959
Energy: 0.9370100324910803
Energy: 0.7137430315520471
Energy: 0.7540106715015779
Energy: 0.6589357961621578
Energy: 0.7540106715015779

minimum gb energy = -0.7684427705348599 eV
minimum distance =  2.34059350435577 Angstroms
sigma value = 17


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

Energy: 0.8385522737508019
Energy: 1.0336236823489864
Energy: -0.04979252441431207
Energy: 1.033623682348164
Energy: 0.7323189226800976
Energy: 0.7284455223715005
Energy: 0.7226267853305373
Energy: 0.7284455223731456
Energy: 0.675987060961958
Energy: 1.0558606549062621
Energy: 0.7209459405040094
Energy: 1.055860654901327
Energy: 0.7203135841122978
Energy: 1.0096643694562106
Energy: 0.6756555193981308
Energy: 1.0096643694463399
Energy: 0.760952427488063
Energy: 0.9068875370370778
Energy: 0.7175290285714666
Energy: 0.9068875370403681
Energy: 0.7872677472996974
Energy: 1.0260891413220459
Energy: 0.5826558652598247
Energy: 1.0260891413212234
Energy: 0.7253220089409911
Energy: 0.8270882118487426
Energy: 0.6886956236075601
Energy: 0.8270882118495652
Energy: 0.6233963822978862
Energy: 1.1022174646825504
Energy: 0.7891421005477826
Energy: 1.1022174646800829
Energy: 0.7531673854400796
Energy: 1.0167269049704457
Energy: 0.6239230511195029
Energy: 1.0167269049704457
Energy: 0.6676592411140213
Energy: 0.9117861766750003
Energy: 0.7207102655813016
Energy: 0.9117861766725327
Energy: 0.7593060802430376
Energy: 1.0129964105796347
Energy: 0.6293938705581719
Energy: 1.01299641058128
Energy: 0.7749576613402233
Energy: 0.8818232014665425
Energy: 0.787128001261576
Energy: 0.8818232014681876
Energy: 0.6502620874232724
Energy: 1.0128368183142165
Energy: 0.8252184885258905
Energy: 1.0128368183133938
Energy: 0.7590836193706376
Energy: 1.0260639273979202
Energy: 0.7278997173364167
Energy: 1.0260639273970975
Energy: 0.6981294963789311
Energy: 0.8139977902990229
Energy: 0.7568767054346719
Energy: 0.8139977903006679
Energy: 0.6428409644529199
Energy: 1.0705188765389635
Energy: 0.6495795831638651
Energy: 1.0705188765356732
Energy: 0.7205847522391536
Energy: 0.8757986445610796
Energy: 0.6951736050821852
Energy: 0.8757986445660148
Energy: 0.5420096601755542
Energy: 1.0043921167239782
Energy: 0.7869488285967743
Energy: 1.004392116722333
Energy: 0.720560373670383
Energy: 0.9603808277684118
Energy: 0.8233387452493841
Energy: 0.9603808277684118
Energy: 0.72825214895871
Energy: 1.013061941182032
Energy: 0.7272018867527001
Energy: 1.013061941177957
Energy: 0.604004664727736
Energy: 0.9776445675518549
Energy: 0.7209291532762871
Energy: 0.9776445675526775
Energy: 0.7556186393930528
Energy: 0.6382803772264245
Energy: 0.6536259364432514
Energy: 0.6382803772247794
Energy: 0.698636019271128
Energy: 1.0005030697445558
Energy: 0.7628879090711753
Energy: 1.0005030696771067
Energy: 0.8084018856207306
Energy: 0.8481857654332987
Energy: 0.7058951725216432
Energy: 0.8481857654324761
Energy: 0.8143039194781271
Energy: 1.0405096134289133
Energy: 0.6780893549603375
Energy: 1.0405096134264455
Energy: 0.2653489853381232
Energy: 1.0049903210362587
Energy: 0.7632083740155975
Energy: 1.0049903210387263
Energy: 0.7174408891290339
Energy: 0.8218330450412372
Energy: 0.693248050614258
Energy: 0.8218330451645823
Energy: 0.5685191155432775
Energy: 0.983686942581763
Energy: 0.7217905335396761
Energy: 0.9836869425784728
Energy: 0.6928691532683312
Energy: 0.8580009772894901
Energy: 0.7245962774145335
Energy: 0.8580009772927804
Energy: 0.7891449481752332
Energy: 0.9810349544294602
Energy: 0.6036145112748162
Energy: 0.9810349544302828

minimum gb energy = -0.04979252441431207 eV
minimum distance =  2.26181382633006 Angstroms
sigma value = 53


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

Energy: 0.8628739281462744
Energy: 0.8676583535752318
Energy: 0.29617970045778547
Energy: 0.8676583535733383
Energy: 0.8189369507418089
Energy: 0.8090128624849339
Energy: 0.822372405677641
Energy: 0.8090128624849339
Energy: 0.8244905054239025
Energy: 0.9988207059088546
Energy: 0.8544165989541661
Energy: 0.9988207059107482
Energy: 0.8242130805689168
Energy: 1.0044980278122184
Energy: 0.7367044511398988
Energy: 1.0044980278330058
Energy: 0.8189993651018431
Energy: 0.8089894604376923
Energy: 0.8227100558564941
Energy: 0.8089894604376923
Energy: 0.8628739281443807
Energy: 0.8676583535752318
Energy: 0.6388708453938796
Energy: 0.8676583535714445
Energy: 0.818936950730447
Energy: 0.8090128624849339
Energy: 0.7604550905107015
Energy: 0.8090128624849339
Energy: 0.8244905054220089
Energy: 0.9988207058974928
Energy: 0.8544165989541661
Energy: 0.9988207059258974
Energy: 0.8242130805708103
Energy: 1.0044980278027504
Energy: 0.7205158911311393
Energy: 1.0044980278273248
Energy: 0.8189993830286584
Energy: 0.8089894606250779
Energy: 0.7604140036617919
Energy: 0.8089894605058208
Energy: 0.8628739281462744
Energy: 0.8676583535752318
Energy: 0.6432519415141025
Energy: 0.8676583535714445
Energy: 0.8189369507285965
Energy: 0.8090128624868276
Energy: 0.7138488018065177
Energy: 0.8090128624830403
Energy: 0.8244905054220089
Energy: 0.9988207059107482
Energy: 0.8544165989541661
Energy: 0.9988207058937055

minimum gb energy = 0.29617970045778547 eV
minimum distance =  2.29963081063071 Angstroms
sigma value = 9


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

Energy: 0.9196030061778494
Energy: 1.0304448361252245
Energy: -0.9168220370040091
Energy: 1.0304448361272633
Energy: 0.6996873616580699
Energy: 0.6958945177319844
Energy: 0.628757893296082
Energy: 0.6958945177347879
Energy: 0.6421777723424976
Energy: 0.9895624813309769
Energy: 0.6091900264503577
Energy: 0.9895624813379857
Energy: 0.6336960864081254
Energy: 0.8611640430101534
Energy: 0.7489646422627431
Energy: 0.8611640430129569
Energy: 0.6503799179712606
Energy: 0.6891310718667998
Energy: 0.7178081199415719
Energy: 0.6891310718660988
Energy: 0.9065340181938542
Energy: 0.7084305269085079
Energy: 0.6024611547001398
Energy: 0.7084305269099097
Energy: 0.6551981360464436
Energy: 0.6586178603823325
Energy: 0.7185995584215605
Energy: 0.6586178603676143
Energy: 0.8002078078025491
Energy: 1.0400996604414925
Energy: 0.6468131694769713
Energy: 1.0400996604407917
Energy: 0.660433062928915
Energy: 0.8706569742810161
Energy: 0.8305447093671651
Energy: 0.8706569470635434
Energy: 0.662507530075502
Energy: 0.764552317283018
Energy: 0.7110821231791881
Energy: 0.7645523172872233
Energy: 0.7493146198831274
Energy: 1.0485220543288793
Energy: 0.5613108916161685
Energy: 1.0485220543281786
Energy: 0.6351791601647471
Energy: 1.0468433442682603
Energy: 0.7375731404303344
Energy: 1.046843344271064
Energy: 0.724343071565307
Energy: 1.0278581174714192
Energy: 0.659985857171078
Energy: 1.0278581174707184
Energy: 0.6406730279290943
Energy: 1.0501288031089373
Energy: 0.9186235787332299
Energy: 1.0501288031089373
Energy: 0.688722461631367
Energy: 0.8683940247765438
Energy: 0.6507383179433059
Energy: 0.8679106248248899
Energy: 0.7248457156592555
Energy: 1.0050180630170003
Energy: 0.6272248193332138
Energy: 1.0050180630127947
Energy: 0.6905356451239459
Energy: 0.9101399696755006
Energy: 0.6881849416374115
Energy: 0.9101399696790049
Energy: 0.7508891004769107
Energy: 0.6691173686074194
Energy: 0.6906183840480409
Energy: 0.6691173686109236
Energy: 0.668221248663263
Energy: 0.8903934641540863
Energy: 0.9070149441659933
Energy: 0.8903934641568899
Energy: 0.6023446447394104
Energy: 0.7944879984018736
Energy: 0.7161165043904936
Energy: 0.7944879984004719
Energy: 0.6436822876844209
Energy: 1.0296950414440407
Energy: 0.6401759834326702
Energy: 1.0296950414461432
Energy: 0.7457388813901011
Energy: 0.7922870317873377
Energy: 0.6626284622700161
Energy: 0.7922870317824316
Energy: 0.827204980725805
Energy: 0.8932092943986285
Energy: 0.6603433144651034
Energy: 0.8932092943979276
Energy: 0.0715840990234358
Energy: 1.0524528333269991
Energy: 0.8257221494899512
Energy: 1.0524528333291019
Energy: 0.7312934032299633
Energy: 0.7486252515928259
Energy: 0.6809655197173659
Energy: 0.748625251598433
Energy: 0.6780303456044716
Energy: 0.9382883417727164
Energy: 0.7077087305539776
Energy: 0.9382883417657075
Energy: 0.653082544473019
Energy: 0.9078231964369617
Energy: 0.6322321860069358
Energy: 0.9078231966372837
Energy: 0.9049438461035965
Energy: 0.8582205419702148
Energy: 0.634071070174456
Energy: 0.8582205419583
Energy: 0.6594455598784227
Energy: 0.9848261592929816
Energy: 0.713027291520652
Energy: 0.9848261592859731
Energy: 0.7273863304121649
Energy: 0.735660122041477
Energy: 0.7233887453968203
Energy: 0.7356601233480298
Energy: 0.6842237064644575
Energy: 1.0466038956580164
Energy: 0.8259088692398446
Energy: 1.0466038956545758
Energy: 0.6995514144937965
Energy: 0.6703332714888425
Energy: 0.6602493618102564
Energy: 0.6703332714846372
Energy: 0.6587120589256376
Energy: 0.7940394093559435
Energy: 0.6547170874958033
Energy: 0.7940394093524392
Energy: 0.639594927771558
Energy: 1.0359744785873397
Energy: 0.6334174977088812
Energy: 1.035974478585938
Energy: 0.6527627798367948
Energy: 0.7154552638735738
Energy: 0.6829012513631375
Energy: 0.7154552638763774

minimum gb energy = -0.9168220370040091 eV
minimum distance =  2.29658397913442 Angstroms
sigma value = 73


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

Energy: 0.917606799295903
Energy: 0.7298599419447886
Energy: 0.5467065823752927
Energy: 0.7298599419425648
Energy: 0.8118609754206441
Energy: 0.7843975727017323
Energy: 0.8128949382904002
Energy: 0.784397572731756
Energy: 0.7524288571949822
Energy: 0.9228211555773638
Energy: 0.6807438038367759
Energy: 0.9228211555784757
Energy: 0.7017435849006042
Energy: 0.7820238422552142
Energy: 0.8012455741484359
Energy: 0.782023842256326
Energy: 0.701351014965872
Energy: 0.7287593932020774
Energy: 0.6793347364464378
Energy: 0.7287593932042761
Energy: 0.8032049301447601
Energy: 0.9194048865353823
Energy: 0.41435422213063117
Energy: 0.9194048865320464
Energy: 0.7406554369938083
Energy: 0.713885611789164
Energy: 0.7534923474031364
Energy: 0.713885611789164
Energy: 0.7650479188149117
Energy: 0.9270184942057361
Energy: 0.6689023320460287
Energy: 0.9270184936777933
Energy: 0.7417508585978609
Energy: 0.7109762459929798
Energy: 0.9201332283050557
Energy: 0.7109762459963158
Energy: 0.7488070772398386
Energy: 0.7406896740286009
Energy: 0.749061669090267
Energy: 0.740689674029713
Energy: 0.6344794166071152
Energy: 0.9158383545141126
Energy: 0.6356863464890422
Energy: 0.9158383540617346
Energy: 0.7365020622122186
Energy: 0.8018140166807305
Energy: 0.7015338825311986
Energy: 0.8018140166807305
Energy: 0.8040887030779281
Energy: 0.7008940187870661
Energy: 0.6605937217770808
Energy: 0.700894018788178
Energy: 0.5268432233944098
Energy: 0.8973593492554728
Energy: 0.8029791013467209
Energy: 0.8973593494477461
Energy: 0.7838501909327086
Energy: 0.8401093562557459
Energy: 0.709010647688381
Energy: 0.8401093562568579
Energy: 0.6359666623212106
Energy: 0.9219203848885964
Energy: 0.7654448361600533
Energy: 0.9219203834503122
Energy: 0.8643884525266172
Energy: 0.9222266924354663
Energy: 0.7473449975371176
Energy: 0.9222266924399143
Energy: 0.8126370064459914
Energy: 0.9371501066661437
Energy: 0.7448496140372247
Energy: 0.9371501066694797
Energy: 0.637342015901734
Energy: 0.9167870642181826
Energy: 0.7657458752734461
Energy: 0.9167870623008578
Energy: 0.8540781667703361
Energy: 0.8391556220995698
Energy: 0.7227898187931373
Energy: 0.8391556220995698
Energy: 0.5699970619422009
Energy: 0.9198667857037034
Energy: 0.8029702957552272
Energy: 0.9198667857192713
Energy: 0.739513152925517
Energy: 0.7258043621310717
Energy: 0.6921318778929123
Energy: 0.7258043621310717

minimum gb energy = 0.41435422213063117 eV
minimum distance =  2.2906279486678 Angstroms
sigma value = 7


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

Energy: 0.9359732272503282
Energy: 0.6062125491104018
Energy: -0.07348992659249055
Energy: 0.6062125491009661
Energy: 0.4075557727578628
Energy: 0.6960543354211057
Energy: 0.7498646429072805
Energy: 0.6960543353535199
Energy: 0.7231768908182443
Energy: 0.8046405810597257
Energy: 0.6607242660529564
Energy: 0.8046405810723064
Energy: 0.17091769653935274
Energy: 0.6534291370904923
Energy: 0.8578709023268651
Energy: 0.6534291370983552
Energy: 0.722859431580097
Energy: 0.6409910440371168
Energy: 0.7435770352584491
Energy: 0.6409910440316128
Energy: 0.8260534326208454
Energy: 0.8524259185194762
Energy: 0.17060869851565472
Energy: 0.852425918526553
Energy: 0.6267294905723457
Energy: 0.9660722931763935
Energy: 0.6572589565403225
Energy: 0.9660722936393432
Energy: 0.8258088643521838
Energy: 0.6339575414040106
Energy: 0.28914085865592837
Energy: 0.6339575414118737
Energy: 0.7098763578124135
Energy: 0.8390186152122797
Energy: 0.8427344672375253
Energy: 0.839018613465916
Energy: 0.7207352176713149
Energy: 0.6846029544102554
Energy: 0.6555743590445846
Energy: 0.6846029544126143
Energy: 0.6050104331232107
Energy: 0.6461306469032477
Energy: 0.6552157790781115
Energy: 0.6461306470093618
Energy: 0.6144584168934326
Energy: 0.8019790444540655
Energy: 0.36162348924970084
Energy: 0.801979044453279
Energy: 0.7922326628188713
Energy: 0.8652858434098182
Energy: 0.32688847921764824
Energy: 0.8652858435072475
Energy: 0.6230359807606773
Energy: 0.9932762313478188
Energy: 0.6390918722581382
Energy: 0.9932762313517504
Energy: 0.6226875097468593
Energy: 0.6814141096679488
Energy: 0.7478543641957343
Energy: 0.681414109678957
Energy: -0.0721342906217127
Energy: 0.9213978616114654
Energy: 0.841809701588887
Energy: 0.9213978616138242
Energy: 0.6230282073198684
Energy: 0.6579479065329945
Energy: 0.6687888605630893
Energy: 0.6579479065322081
Energy: 0.6570790437240024
Energy: 0.7801179657349049
Energy: 0.3553916002893484
Energy: 0.7801179657419814
Energy: 0.8223134661149852
Energy: 0.8503370636670904
Energy: 0.356711873322751
Energy: 0.8503370595149463
Energy: 0.7212062717776433
Energy: 0.6532526962191728
Energy: 0.4181512954645526
Energy: 0.653252696224677
Energy: 0.142136209635478
Energy: 0.920097815294429
Energy: 0.842735813428868
Energy: 0.9200978153140864
Energy: 0.7206249414322575
Energy: 0.5817802618265576
Energy: 0.42262743191867164
Energy: 0.5814499599360304
Energy: 0.6492043580273275
Energy: 0.8367183158693852
Energy: 0.7494834865215932
Energy: 0.8367183158701714
Energy: 0.9370395021538797
Energy: 0.6194750859948008
Energy: 0.04113517329721132
Energy: 0.6194750860003049
Energy: 0.787174743930243
Energy: 0.738402165194756
Energy: 0.7278777086069949
Energy: 0.7384021651892876
Energy: 0.6277476565025678
Energy: 0.8387666824983645
Energy: 0.6628813943297821
Energy: 0.838766680573583
Energy: 0.7233132802363731
Energy: 0.7996762550120708
Energy: 0.7285702766129386
Energy: 0.7996762550160023
Energy: -0.03618779010081784
Energy: 0.6516908822374384
Energy: 0.8575344368854407
Energy: 0.6516908822453014
Energy: 0.825387071843571
Energy: 1.0097087665623168
Energy: 0.045377178914796056
Energy: 1.0097087665293278
Energy: 0.8323783758041936
Energy: 1.1670692722282097
Energy: 0.8438152457959068
Energy: 1.167069272233678
Energy: 0.8254347317157023
Energy: 1.0093685217985708
Energy: 0.022522524177567935
Energy: 1.0093685217946393

minimum gb energy = -0.07348992659249055 eV
minimum distance =  2.2415990040782 Angstroms
sigma value = 29


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

Energy: 0.6929632327251485
Energy: 0.8647464526107675
Energy: 0.6322486302463716
Energy: 0.8647464526110414
Energy: 0.6304246011535274
Energy: 0.707731407753914
Energy: 0.8316606318844791
Energy: 0.7075728850983826
Energy: 0.7743937320742622
Energy: 0.837357105651732
Energy: 0.6313496436299357
Energy: 0.8373571056525233
Energy: 0.8329157289992569
Energy: 1.0999795917594433
Energy: 0.8337790884712865
Energy: 1.0999795917599908
Energy: 0.8332982973028856
Energy: 0.7867477241080051
Energy: 0.6171229628390288
Energy: 0.7867477241080051
Energy: 0.5827307038971588
Energy: 0.979853281606148
Energy: 0.5821511913185421
Energy: 0.9798532816069393
Energy: 0.7751174992269276
Energy: 0.7867540767951706
Energy: 0.8331105912358906
Energy: 0.7867540767957185
Energy: 0.8301386472177191
Energy: 1.0994213191230164
Energy: 0.8297582023018092
Energy: 1.099421319122773
Energy: 0.6312104552212239
Energy: 0.8373787453736854
Energy: 0.6332716451282203
Energy: 0.8373787453734419

minimum gb energy = 0.5821511913185421 eV
minimum distance =  2.32977326892529 Angstroms
sigma value = 5


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

Energy: 0.589969909432861
Energy: 0.5163560194743799
Energy: 0.1379374330245956
Energy: 0.5163560194684379
Energy: 0.5432495725922525
Energy: 0.981971143024674
Energy: 0.5070371100569483
Energy: 0.9819711430409809
Energy: 0.560765162804189
Energy: 0.45309018626212244
Energy: 0.6466865001809581
Energy: 0.4530901862584087
Energy: 0.17446251310280594
Energy: 0.7853806103470743
Energy: 0.5546931862324089
Energy: 0.7853806100077719
Energy: 0.575713525408166
Energy: 0.739801753240233
Energy: 0.7290028599712511
Energy: 0.7398017534124839
Energy: 0.17084142793226015
Energy: 0.5338422109350763
Energy: 0.48207854770799036
Energy: 0.5338422109380474
Energy: 0.5520992460088148
Energy: 0.599342745896012
Energy: 0.2836435273717279
Energy: 0.5993427458922981
Energy: 0.5436335540457656
Energy: 0.8661049002038053
Energy: 0.5306472457842678
Energy: 0.8661049001904357
Energy: 0.6028630401909616
Energy: 0.7414995134702826
Energy: 0.5357679121190945
Energy: 0.741499513466569
Energy: 0.5519946186054954
Energy: 0.6025494947388778
Energy: 0.1335870990613601
Energy: 0.6025494947344212
Energy: 0.13798915413880775
Energy: 0.7224733890395865
Energy: 0.5595018693278008
Energy: 0.7224733900440564
Energy: 0.552307146754626
Energy: 0.9089186441846224
Energy: 0.543305292592686
Energy: 0.9089186441868506
Energy: 0.2037265428847201
Energy: 0.5225220135989437
Energy: 0.6805746648855066
Energy: 0.5225220135974581
Energy: 0.56647573262326
Energy: 0.6528034473451876
Energy: 0.7842633676708488
Energy: 0.6528031265871238
Energy: 0.5610064383910713
Energy: 0.7522683791743637
Energy: 0.5590554342379365
Energy: 0.7522683783175662
Energy: 0.5290497570833252
Energy: 0.4176846056692366
Energy: 0.11853949739085254
Energy: 0.41768460566997934
Energy: 0.48764015445489395
Energy: 0.7518259584502672
Energy: 0.558804690250247
Energy: 0.7518259584843662
Energy: 0.5807918518120738
Energy: 0.518459525600713
Energy: 0.12782225253386337
Energy: 0.5184595256029412
Energy: 0.4008793774520192
Energy: 0.5613010743630429
Energy: 0.5219056112495443
Energy: 0.561301074366014
Energy: 0.5450018016898972
Energy: 0.7586104429467233
Energy: 0.4365941164351863
Energy: 0.7585971622941442
Energy: 0.5088485017070227
Energy: 0.7898725260495923
Energy: 0.5513021026658427
Energy: 0.7898725164211036
Energy: 0.6015243920854445
Energy: 0.5614879852563182
Energy: 0.5693714053985877
Energy: 0.5614879852466623
Energy: 0.5317987220664623
Energy: 0.6974117778611509
Energy: 0.5092893439232474
Energy: 0.697411777863379
Energy: 0.5351370741425598
Energy: 0.8778439341381011
Energy: 0.5460673451229676
Energy: 0.8778439916787472
Energy: 0.6060662750677035
Energy: 0.5644757005489396
Energy: 0.5644883950864744
Energy: 0.5644757005481968
Energy: 0.6123785350436696
Energy: 0.69873171708203
Energy: 0.5751360296343694
Energy: 0.6987317170850011
Energy: 0.5227840100598607
Energy: 0.7723431394857672
Energy: 0.5320080728727046
Energy: 0.7723431394612563
Energy: 0.022511626869760975
Energy: 0.9726242787578426
Energy: 0.5292086561979066
Energy: 0.9726242786197584
Energy: 0.5492912251577354
Energy: 0.9444234657217482
Energy: 0.609836018150402
Energy: 0.9444234655955479
Energy: 0.3119501211782824
Energy: 0.8729171906094735
Energy: 0.5642479447453357
Energy: 0.8729171906087307
Energy: 0.524000848641382
Energy: 0.5137946995178946
Energy: 0.3016069840095349
Energy: 0.5137946995156664
Energy: 0.6237394130690149
Energy: 0.8705747859214247
Energy: 0.5526962002955674
Energy: 0.8705747859206819
Energy: 0.5272871799325233
Energy: 0.937986354581498
Energy: 0.20764102786293268
Energy: 0.9379864092200455

minimum gb energy = 0.022511626869760975 eV
minimum distance =  2.18674662865999 Angstroms
sigma value = 1


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

Energy: 0.6409512513871312
Energy: 0.5229164507645856
Energy: 0.39833605899090824
Energy: 0.5229164507676665
Energy: 0.6490575700065576
Energy: 1.1160240223636966
Energy: 0.5097598954472259
Energy: 1.1160240223657507
Energy: 0.43435342763717794
Energy: 0.5243670745633784
Energy: 0.48697023195210964
Energy: 0.5243670745592706
Energy: 0.4620253200435972
Energy: 0.7280052177011539
Energy: 0.538607372220705
Energy: 0.7280052177011539
Energy: 0.37111477654382524
Energy: 0.9129388936801337
Energy: 0.7613325587178532
Energy: 0.9129388936791066
Energy: 0.4275195109045388
Energy: 0.7998426385115018
Energy: 0.5375983969205611
Energy: 0.7998433723918817
Energy: 0.4194641948361149
Energy: 0.644824977142768
Energy: 0.4596575528139716
Energy: 0.6448249771437949
Energy: 0.41194107186907564
Energy: 0.8562110744414309
Energy: 0.4832082183303701
Energy: 0.8562110744434848
Energy: 0.5114655256335409
Energy: 0.8237292461828597
Energy: 0.472258673584728
Energy: 0.8237292462331817
Energy: 0.5130854867432126
Energy: 0.8646917448824473
Energy: 0.48420467504899695
Energy: 0.8646917448834742
Energy: 0.4104921342962516
Energy: 0.8519218065687775
Energy: 0.4483510660878223
Energy: 0.8519218066981299
Energy: 0.4197092360422327
Energy: 0.5905952795871471
Energy: 0.475780930834869
Energy: 0.590595279591255
Energy: 0.43069042326130963
Energy: 0.7984571102198248
Energy: 0.538245824009538
Energy: 0.804227160887885
Energy: 0.4186479307327884
Energy: 0.905454999061605
Energy: 0.6030635589993175
Energy: 0.9054549990605779
Energy: 0.46484553685447855
Energy: 0.7247042699804569
Energy: 0.5393632747344188
Energy: 0.7247042699866187
Energy: 0.4396383035347646
Energy: 0.5234571269665889
Energy: 0.5773000092909648
Energy: 0.5234571269543118
Energy: 0.6475052753658397
Energy: 1.1113485677026964
Energy: 0.5089865477349669
Energy: 1.1113485677006427
Energy: 0.6409513147501611
Energy: 0.5229164506075048
Energy: 0.39940296899617495
Energy: 0.5229164505798232
Energy: 0.6490575700435287
Energy: 1.116024022360616
Energy: 0.5097598954461988
Energy: 1.1160240223626696
Energy: 0.434353427635124
Energy: 0.5243670745633784
Energy: 0.4858884318309255
Energy: 0.5243670745623515
Energy: 0.4620253200394893
Energy: 0.7280052176754795
Energy: 0.538607372220705
Energy: 0.7280052176898572
Energy: 0.3711147765427983
Energy: 0.9129388936770527
Energy: 0.7613325587199072
Energy: 0.9129388936760257
Energy: 0.42751951090556584
Energy: 0.7998427973594863
Energy: 0.5375983969431546
Energy: 0.7998433562313727
Energy: 0.41946419483714187
Energy: 0.6448249771417878
Energy: 0.45965755281191767
Energy: 0.644824977142768

minimum gb energy = 0.3711147765427983 eV
minimum distance =  2.28017639490544 Angstroms
sigma value = 17


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

Energy: 0.5703950704351561
Energy: 0.5605331216512802
Energy: -0.7084112839470581
Energy: 0.5615189563978729
Energy: 0.2953716694784327
Energy: 0.7825843821010894
Energy: 0.14201265024246407
Energy: 0.782584381943151
Energy: 0.3421521749653191
Energy: -0.17292008970135522
Energy: 0.20962940279813438
Energy: -0.17394287368410954
Energy: -0.05606124741705773
Energy: 0.09702291517915988
Energy: 0.467495338078578
Energy: 0.16012876486215744
Energy: -0.01725472236536451
Energy: 0.7434974512023224
Energy: 0.37027918801284504
Energy: 0.7434975722823719
Energy: -0.16781613249659982
Energy: 0.7860466736683568
Energy: 0.5131687160448688
Energy: 0.7860466632661885
Energy: 0.08047658281582339
Energy: 0.44356517772191517
Energy: 0.4774819421170709
Energy: 0.4495105446066405
Energy: -0.017068939559859594
Energy: 0.3920874424300569
Energy: -0.016196713701068743
Energy: 0.392087432477121
Energy: 0.12016355025176413
Energy: 0.6403304306779558
Energy: -0.13403859116713293
Energy: 0.6403304340222413
Energy: 0.4678081825004701
Energy: 0.815687835334311
Energy: 0.17987487195484828
Energy: 0.8156878353368501
Energy: 0.1609309224092567
Energy: 0.8526791708782266
Energy: -0.02179477698799934
Energy: 0.8526791708845741
Energy: 0.16463322284655083
Energy: 0.6066438500155653
Energy: 0.003958530888008003
Energy: 0.6066437391688972
Energy: -0.12157212524894781
Energy: 0.8455865167623537
Energy: 0.4705698435697567
Energy: 0.8455865178193915
Energy: -0.000307139033109497
Energy: 0.35823134807504203
Energy: 0.3501436289259015
Energy: 0.3528490576111909
Energy: -0.07685360677778179
Energy: 0.39124816920379446
Energy: 0.15453209009512073
Energy: 0.38622060951390413
Energy: 0.16654840761511555
Energy: 0.5200480941551614
Energy: 0.17693496396596414
Energy: 0.5200480941526802
Energy: 0.13964175618944008
Energy: 0.5645661081304267
Energy: 0.07237269560501128
Energy: 0.5645507145636006
Energy: 0.2550336219612742
Energy: 0.2503890553268562
Energy: -0.47425475058444483
Energy: 0.25038905563459635
Energy: 0.01207067216215974
Energy: 1.037073905970451
Energy: 0.1674709318510275
Energy: 1.0370739059691816
Energy: -0.19870710014814097
Energy: 0.1346954405766095
Energy: -0.5037086426267176
Energy: 0.13469544064573993
Energy: 0.37827922184999935
Energy: 0.6961194518691128
Energy: 0.24579324579068135
Energy: 0.6961194518659392
Energy: 0.16173938001280003
Energy: 0.8955992692637319
Energy: 0.17382259715563492
Energy: 0.8955992692757921
Energy: -0.07798067117803939
Energy: 0.8699462602502164
Energy: 0.489107572623757
Energy: 0.8699462602521206
Energy: 0.13720771276288957
Energy: 0.9306414652762136
Energy: 0.3534497136829008
Energy: 0.9306414652793874
Energy: -0.20952439210831594
Energy: 0.24507503050089785
Energy: 0.24762165240288744
Energy: 0.2450750307052308
Energy: 0.08396505628104282
Energy: 0.5116618590172263
Energy: 0.11544528640587223
Energy: 0.5116618590108788
Energy: 0.23603849051584766
Energy: 0.687359409089574
Energy: 0.14987659361663705
Energy: 0.6873594074463125
Energy: 0.5726727867766602
Energy: 0.9319015462735503
Energy: -0.14075518960200017
Energy: 0.9319015462741851
Energy: 0.3539165508251649
Energy: 0.5589697654642024
Energy: -0.010103010772207677
Energy: 0.5589695655212163
Energy: 0.17046948563161654
Energy: 0.8436448095426463
Energy: -0.385120970407555
Energy: 0.8436448095051957
Energy: -0.05222693720818187
Energy: 0.5766283412010075
Energy: 0.15501011034627465
Energy: 0.5766283414846269
Energy: -0.019034043155403985
Energy: 0.828269028265504
Energy: -0.02560993248190153
Energy: 0.8282690282705821
Energy: 0.10749890288036873
Energy: 0.6892714284016833
Energy: 0.20365585041913203
Energy: 0.6866368628415079
Energy: -0.15188432765128407
Energy: 0.5747637412373763
Energy: 0.19553396000820555
Energy: 0.5747637412880987
Energy: -0.04817794441895939
Energy: 0.08790710345966764
Energy: -0.0024279726151056743
Energy: 0.08790710346093712
Energy: 0.16753226487308545
Energy: 0.8547213082712604
Energy: 0.17642495358322643
Energy: 0.8547213082706256
Energy: 0.3120711689456864
Energy: 0.8566887360839048
Energy: -0.1757518901516503
Energy: 0.856688736088348
Energy: 0.21147290153391235
Energy: 0.9022964791583599
Energy: 0.133922982464868
Energy: 0.9022964791653423

minimum gb energy = -0.7084112839470581 eV
minimum distance =  2.19890683176189 Angstroms
sigma value = 89


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

Energy: 0.5448244709133497
Energy: 0.4089831772291485
Energy: 0.48858983751299995
Energy: 0.40898317722748767
Energy: 0.39583928243399885
Energy: 0.4799144851893923
Energy: 0.3843718170934559
Energy: 0.4799144852043022
Energy: 0.3747982928545877
Energy: 0.9449718019867697
Energy: 0.4915973928986462
Energy: 0.9449718019884306
Energy: 0.12381716530554787
Energy: 0.47269155654556566
Energy: 0.39139611328814755
Energy: 0.47269155654058315
Energy: 0.39770148552463525
Energy: 0.8991807984890517
Energy: 0.598507178899717
Energy: 0.8991807984890517
Energy: 0.3955692163048433
Energy: 0.4106571552694873
Energy: 0.39180624614997284
Energy: 0.4106571553458484
Energy: 0.38366938690970415
Energy: 0.5879739442761778
Energy: 0.41366719846227495
Energy: 0.5879739442761778
Energy: -0.06528742733259281
Energy: 0.5848671738194876
Energy: 0.40846526371782005
Energy: 0.5848672710369085
Energy: 0.39952869501334326
Energy: 0.41999053553064164
Energy: 0.19999352723350777
Energy: 0.4199905355621976
Energy: 0.4562287362184836
Energy: 0.40380481308854327
Energy: 0.3931405327503698
Energy: 0.40380538757792034
Energy: 0.3900557140259802
Energy: 0.5371202236969111
Energy: 0.42850244997144943
Energy: 0.5371202236969111
Energy: 0.3913954691158549
Energy: 0.6213691667077674
Energy: 0.3766036432764241
Energy: 0.6213691667077674
Energy: 0.4284589680058608
Energy: 0.8727256997182152
Energy: -0.04601221354763967
Energy: 0.8727256997165544
Energy: 0.3948415642936116
Energy: 0.47962012051089226
Energy: 0.39388293578916345
Energy: 0.4796201205092315
Energy: 0.1392297691283654
Energy: 0.8791324553289749
Energy: 0.37353389866436215
Energy: 0.8791324553289749

minimum gb energy = -0.06528742733259281 eV
minimum distance =  2.19928789115667 Angstroms
sigma value = 13


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

Energy: 0.46166391110635824
Energy: 0.8230941232141541
Energy: -0.6489431694856664
Energy: 0.8230941232092813
Energy: 0.050692145723455054
Energy: 0.8497386545256428
Energy: -0.26723689635448117
Energy: 0.8497386545416535
Energy: 0.42687145210309724
Energy: 0.5361088080669968
Energy: -0.4023278824115296
Energy: 0.5360452666095697
Energy: -0.3311665979904904
Energy: 0.8597820192473566
Energy: -0.47043876470217555
Energy: 0.859782019218879
Energy: -0.23211605057194692
Energy: 0.4971218891187482
Energy: -0.04894618631084293
Energy: 0.4968834992256771
Energy: -0.44058577795131193
Energy: 0.6628358234574496
Energy: -0.23567380329690985
Energy: 0.6628358242513431
Energy: -0.1382870399706555
Energy: 0.9692815660483765
Energy: 0.042395125913046984
Energy: 0.9692815660455919
Energy: -0.3926022182184455
Energy: 0.8498484390821522
Energy: -0.21361448478357584
Energy: 0.8498484390786717
Energy: -0.1272607993643142
Energy: 0.8236547657995975
Energy: -0.09212649482870874
Energy: 0.8236547650355739
Energy: -0.29105227541716416
Energy: 0.6955896320500897
Energy: -0.21871413678320922
Energy: 0.695589632051482
Energy: -0.26905230622118026
Energy: 0.6493038505263229
Energy: -0.4399607762311897
Energy: 0.6493038505387898
Energy: 0.11827949566533551
Energy: 0.6851861045767366
Energy: -0.4505714027444499
Energy: 0.6851861046129348
Energy: 0.2613552708154969
Energy: 0.8412489772633527
Energy: -0.39999395194797516
Energy: 0.841248977259176
Energy: 0.30925734236558905
Energy: 0.700385241201484
Energy: -0.4507931675377952
Energy: 0.7003852411980034
Energy: -0.26694228340159015
Energy: 0.8139803511573729
Energy: -0.34941139506567237
Energy: 0.8139803511559806
Energy: -0.34734082130345284
Energy: 0.6822694703940165
Energy: -0.40664626287190847
Energy: 0.6822694703974339
Energy: -0.13792211952645572
Energy: 0.9575138076540882
Energy: -0.396504672492554
Energy: 0.9575138076471903
Energy: -0.4009427752942768
Energy: 0.8407836565355338
Energy: -0.23767461148436259
Energy: 0.8407836565174346
Energy: -0.11384333695220901
Energy: 0.8224319195124342
Energy: -0.24448590206985416
Energy: 0.8224319195152187
Energy: -0.14307950013872356
Energy: 0.8195616732618746
Energy: -0.2501380092997383
Energy: 0.8195616732507367
Energy: -0.4174008524149348
Energy: 0.8534261392046267
Energy: -0.248799005406955
Energy: 0.8534261392088035
Energy: -0.14333447502632216
Energy: 0.9472876642387563
Energy: -0.35978990273607386
Energy: 0.9472876642339468
Energy: -0.3465864939952214
Energy: 0.6811771355799764
Energy: -0.40253589619994096
Energy: 0.6811771360747281
Energy: -0.3182614667439291
Energy: 0.7667598606171595
Energy: -0.4807251161384014
Energy: 0.7667598605837457
Energy: 0.14506531019764105
Energy: 0.6930481251241752
Energy: -0.4513153959590381
Energy: 0.6930481263821913
Energy: 0.2617413523327993
Energy: 0.8441038635374333
Energy: -0.388921716270462
Energy: 0.8441038635304721
Energy: 0.05560466235092251
Energy: 0.6262825708374709
Energy: -0.15186509006122986
Energy: 0.6262825706753381
Energy: -0.29242382025724795
Energy: 0.6671103193579951
Energy: -0.5248377698794019
Energy: 0.6671103193489455
Energy: -0.29052483156725273
Energy: 0.6837187169277941
Energy: -0.20347556770488887
Energy: 0.6837187167607884
Energy: -0.13604663584895496
Energy: 0.8260902239627438
Energy: -0.008528953859593924
Energy: 0.8260902240893743
Energy: -0.553404223534684
Energy: 0.8385276257319035
Energy: -0.23685567431518953
Energy: 0.8385276253861216
Energy: -0.08756655080383674
Energy: 0.9674879587951841
Energy: 0.27569326071529765
Energy: 0.9674879588042337
Energy: -0.45339749578970157
Energy: 0.7262791382546718
Energy: -0.21681342407614776
Energy: 0.7262791382553679
Energy: -0.30561834768654456
Energy: 0.4558331583654052
Energy: -0.2193251536829849
Energy: 0.455833161770003
Energy: -0.3229569590182829
Energy: 0.868621675635055
Energy: -0.2264138059143625
Energy: 0.8686216756322704

minimum gb energy = -0.6489431694856664 eV
minimum distance =  2.19942731702844 Angstroms
sigma value = 37


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

Energy: 0.3792205025085499
Energy: 0.36606575150364057
Energy: 0.026592124320802595
Energy: 0.36606575150720627
Energy: 0.4983151675791046
Energy: 0.7137600314763394
Energy: -0.0859160235244699
Energy: 0.7137600314763394
Energy: 0.36114955546187205
Energy: 0.974321046659141
Energy: 0.0793122450409084
Energy: 0.974321046659141
Energy: 0.0014307371600763871
Energy: 0.708020374543445
Energy: -0.08527079606014508
Energy: 0.7080203744368814
Energy: 0.18656163444586038
Energy: 0.7242814903678252
Energy: 0.020601915950859227
Energy: 0.7242814903678252
Energy: -0.16468803626725667
Energy: 0.7135636844391796
Energy: 0.32584968423490035
Energy: 0.7135636844355867
Energy: 0.22922308236983407
Energy: 1.0693121311369058
Energy: 0.5444397538057681
Energy: 1.0693121311357083
Energy: 0.09094662760790219
Energy: 0.37370274358335004
Energy: 0.38129629387515035
Energy: 0.37370274358335004
Energy: 0.18657543409627386
Energy: 0.714750027231499
Energy: 0.4856339542974666
Energy: 0.7147500272303013
Energy: 0.03767700673097767
Energy: 0.7121332970030202
Energy: 0.33327264866452705
Energy: 0.712133297023353
Energy: 0.2256838101237944
Energy: 1.0706775958428856
Energy: 0.10748473788309423
Energy: 1.070677595841688
Energy: 0.36634176644587374
Energy: 0.7207145696277859
Energy: -0.05498275647450192
Energy: 0.7207145696301811
Energy: 0.07395480255276733
Energy: 0.6907430510951338
Energy: -0.1471334615334818
Energy: 0.6907430510951338
Energy: 0.4895052935369018
Energy: 1.0777223098602684
Energy: 0.15403385162026534
Energy: 1.0777223098602684
Energy: 0.3878832238289109
Energy: 0.41852671614671244
Energy: 0.10723678984755214
Energy: 0.41852671614671244
Energy: 0.29416817095987013
Energy: 0.6628319921568084
Energy: 0.12941672622253267
Energy: 0.6628319921735756
Energy: 0.10887957614579603
Energy: 0.7285753225842476
Energy: -0.15868137504667185
Energy: 0.7285753225842476
Energy: 0.10944835821908752
Energy: 1.073184525550472
Energy: 0.16990795418551835
Energy: 1.073184525550472
Energy: 0.1845013320703429
Energy: 0.355606913156982
Energy: 0.08478413846925205
Energy: 0.355606913156982
Energy: 0.08719666613284092
Energy: 0.6466746622011557
Energy: 0.10724185295538248
Energy: 0.6466746621987602

minimum gb energy = -0.16468803626725667 eV
minimum distance =  2.26349751244779 Angstroms
sigma value = 25


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

Energy: 0.29283236898740644
Energy: 0.7465556505696467
Energy: -0.6075552695030666
Energy: 0.7465556505687115
Energy: 0.13555269174705334
Energy: 0.7454102510457575
Energy: 0.22809593733330188
Energy: 0.745410251042952
Energy: 0.24766711048060902
Energy: 0.023501971896828747
Energy: -0.46283840475500576
Energy: 0.023501971894958333
Energy: -0.21228614351548689
Energy: 0.7790385436434654
Energy: 0.2265079932103726
Energy: 0.7790385436397246
Energy: 0.2082367735909255
Energy: 0.8075995866215026
Energy: -0.26749916004810254
Energy: 0.807599586623373
Energy: -0.5466394338054354
Energy: 0.7982341674831006
Energy: 0.22786034979090697
Energy: 0.7982341674831006
Energy: 0.218514211520667
Energy: 0.5711364162856024
Energy: -0.22922695062297324
Energy: 0.571136416434258
Energy: -0.6757429238933973
Energy: 0.583557963112104
Energy: 0.24911479899369213
Energy: 0.5835579631130393
Energy: 0.20701708406948433
Energy: 0.7846121396421946
Energy: 0.10055941180548346
Energy: 0.7846121396150736
Energy: -0.5750431744948847
Energy: 0.7761149696031006
Energy: 0.2956987883404099
Energy: 0.7761149696040357
Energy: 0.21205643458840312
Energy: 0.5404224669300828
Energy: 0.07988320746005627
Energy: 0.5404224669366293
Energy: -0.513719605323938
Energy: 0.8317147842348671
Energy: 0.24791008172987405
Energy: 0.831714784233932
Energy: 0.20865827930034628
Energy: 0.7827658098712353
Energy: -0.16255759201075654
Energy: 0.7827658098712353
Energy: -0.1984942750268287
Energy: 0.789884437781657
Energy: 0.2274801919500826
Energy: 0.7898844377807217
Energy: 0.22495411179131566
Energy: 0.5363180847510912
Energy: -0.5414758102696099
Energy: 0.5363180847510912
Energy: 0.2305449152769545
Energy: 0.8102127145318978
Energy: 0.21495183972284143
Energy: 0.8102127145290923
Energy: 0.20883335545711754
Energy: 0.5811767717020413
Energy: -0.6767892149700241
Energy: 0.5811767716992355
Energy: 0.07489275982537275
Energy: 0.7908734632532961
Energy: 0.2254737988257062
Energy: 0.7908734632542315
Energy: 0.30892354734235117
Energy: 0.7799373628718832
Energy: -0.48783190749795674
Energy: 0.7799373628718832
Energy: 0.14101880090610464
Energy: 0.7987893514221993
Energy: 0.1713960690210624
Energy: 0.7987893514203289
Energy: 0.20929083030364154
Energy: 0.8186990509059809
Energy: -0.17760122274175613
Energy: 0.8186990509059809
Energy: -0.26369678318905404
Energy: 0.7844556375408805
Energy: 0.22901033479842914
Energy: 0.784455637502537
Energy: 0.18541493000618026
Energy: 0.15806318790547588
Energy: -0.2500266017622248
Energy: 0.15806300448975918
Energy: -0.21066429069546808
Energy: 0.7927778578950392
Energy: 0.18373425312898364
Energy: 0.792777857839862
Energy: -0.2690807332203917
Energy: 0.8186232883345629
Energy: 0.19136999784700384
Energy: 0.8186232883354981
Energy: -0.14735343390345573
Energy: 0.578983354546119
Energy: 0.1881445675908207
Energy: 0.578983354546119

minimum gb energy = -0.6767892149700241 eV
minimum distance =  2.21451430356755 Angstroms
sigma value = 41


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

Energy: 0.16916524657684934
Energy: 0.5884808503201487
Energy: -1.4093813603134349
Energy: 0.5884808503216822
Energy: -0.255939290827215
Energy: 0.6435293665945527
Energy: -0.4642766060503851
Energy: 0.6435293665945527
Energy: -0.19598779982612538
Energy: 0.5386129194457798
Energy: -0.41167963093290316
Energy: 0.5386129194549805
Energy: -0.4949131647376663
Energy: 0.5978136285651472
Energy: -0.4577615923851315
Energy: 0.5978136285659139
Energy: -0.09230596831692162
Energy: 0.6705916118649157
Energy: -1.2718698228787721
Energy: 0.6705916118656824
Energy: -0.7108163811602476
Energy: 0.6067490702899088
Energy: -0.47143122897475903
Energy: 0.6067490702883752
Energy: -0.32740467618377816
Energy: 0.5669532687764004
Energy: -0.3609329525109658
Energy: 0.5669532687710334
Energy: -0.4261369963930319
Energy: 0.4361088011188925
Energy: -0.41446295885423423
Energy: 0.4361088010215543
Energy: -0.6103133288972412
Energy: 0.007579318259071749
Energy: -0.5208784200816051
Energy: 0.007589182784353286
Energy: -0.4659467844276605
Energy: 0.6135892588251275
Energy: -0.20003703014369978
Energy: 0.6135892588205272
Energy: -0.2932598018228561
Energy: 0.6480861087685592
Energy: -0.18298304756522743
Energy: 0.6480861087654922
Energy: -0.41114160610394423
Energy: 0.616714822861403
Energy: 0.2741899479740079
Energy: 0.616714822861403
Energy: -0.5205184840612719
Energy: -0.026499836634415096
Energy: -0.24699189050303572
Energy: -0.024318421284933268
Energy: -0.46074247258772716
Energy: 0.06920398598611655
Energy: -0.18694902887054174
Energy: 0.0714440865656362
Energy: -0.28354296344721525
Energy: 0.5621103300995852
Energy: -0.5033902981052796
Energy: 0.5621103301026522
Energy: -0.22210336912177453
Energy: 0.1875692880055382
Energy: -0.4764938186048075
Energy: 0.18756993875910008
Energy: -0.418593306082639
Energy: 0.07479642391724522
Energy: -0.7932500112144729
Energy: 0.05240661240693904
Energy: -0.14992811739090062
Energy: 0.6297799997040445
Energy: -0.5261654147280292
Energy: 0.6297799997025111
Energy: -0.3677384792294373
Energy: 0.4280646562537485
Energy: -0.537196162479851
Energy: 0.42806465629434975
Energy: 0.07675054698565262
Energy: 0.01580969506035596
Energy: -0.6246702122744745
Energy: 0.01581037324023012
Energy: -0.0495555652692514
Energy: 0.6140578783736044
Energy: -0.7355641558016143
Energy: 0.6140578787299537
Energy: -0.23811184887800338
Energy: 0.4984458008340604
Energy: -0.4671809456091046
Energy: 0.49844580235683056
Energy: 0.371128546700535
Energy: 0.6054119320284336
Energy: -0.5235978122347248
Energy: 0.6054119320422345
Energy: -0.23159878487346242
Energy: 0.6766495687847656
Energy: -0.5573196628136261
Energy: 0.6766495687839988
Energy: -0.040487773831361984
Energy: 0.6398319066544479
Energy: -0.9298505868952751
Energy: 0.6398319066529146
Energy: -0.47218940264852766
Energy: 0.6479267567132586
Energy: -0.4165140160580092
Energy: 0.6479267567117252
Energy: -0.4217874215547387
Energy: 0.6162525603177983
Energy: -0.22734312160892647
Energy: 0.6162525603216319
Energy: -0.1993546296689823
Energy: 0.6303448392382073
Energy: -0.6058630352189252
Energy: 0.6303448392397407
Energy: -0.42817567633628173
Energy: 0.26732161108675495
Energy: -0.16997213038711528
Energy: 0.2605983296336379
Energy: -0.4917720564143222
Energy: 0.629219909893962
Energy: -0.38096986432557445
Energy: 0.6292199097943237
Energy: -0.501441636968888
Energy: 0.29935962292159735
Energy: 0.06970141916425368
Energy: 0.29935963363246304
Energy: -0.4650596502170074
Energy: 0.6345055975588664
Energy: -0.18426867099391397
Energy: 0.6345055975565663

minimum gb energy = -1.4093813603134349 eV
minimum distance =  2.20898886519845 Angstroms
sigma value = 15


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

Energy: 0.11282272762500069
Energy: -0.411324459243724
Energy: -0.9520597739561838
Energy: -0.671248226472736
Energy: -0.6308317603486596
Energy: -0.6036518529913273
Energy: -0.740749687541225
Energy: -0.569861381217225
Energy: -0.5892651744812205
Energy: 0.4749318758028077
Energy: -1.2509922024953763
Energy: 0.47493187580410673
Energy: -0.7481557324683009
Energy: -0.9654770010200286
Energy: -0.757699609891417
Energy: -0.9670304756846307
Energy: -0.9680687912039023
Energy: -0.5419945019038694
Energy: -0.9946461521675407
Energy: -0.5414933444556368
Energy: -0.9485234938125717
Energy: -0.4984869569822803
Energy: -0.6829026653659439
Energy: -0.6607850687055734
Energy: -0.23693997848583914
Energy: -0.72915818279657
Energy: -1.1187326742574026
Energy: -0.6881812732437219
Energy: -1.0150256281866412
Energy: 0.4798751135179761
Energy: -0.8825054902098597
Energy: 0.4798751135199246
Energy: -1.3503643792954654
Energy: -0.4141759926087221
Energy: -1.0593417926292505
Energy: -0.6561478435692137
Energy: -1.369330285979854
Energy: -0.7127684076525361
Energy: -0.9696120157384913
Energy: -0.6974446556648238
Energy: -0.8155506518977499
Energy: -1.0485586963905709
Energy: -0.6700436437466349
Energy: -0.9779975988415491
Energy: -1.1418006252241093
Energy: -0.8347534764394045
Energy: -0.7913615321076126
Energy: -1.0790081541317948
Energy: -1.3289757859275146
Energy: 0.526770857914944
Energy: -0.47283588877654154
Energy: 0.526770857914944
Energy: -1.293419279644628
Energy: -0.6308474226239247
Energy: 0.10318420115710877
Energy: -0.632301082080718
Energy: -0.8157478081158888
Energy: -0.8041508396249072
Energy: -0.5780428751422002
Energy: -0.7961531016542198
Energy: -1.1695973212553694
Energy: 0.5471104151306396
Energy: -0.7545719207755784
Energy: 0.5471104151312891
Energy: -1.2389061717082857
Energy: 0.5419260755797386
Energy: -0.6565529029053658
Energy: 0.5419260755803881
Energy: -1.0503717095651472
Energy: -0.6041887954735985
Energy: -0.8604541995977335
Energy: -0.6042462348868846
Energy: -0.8035657495534716
Energy: 0.5037836714421958
Energy: -0.8940220908427959
Energy: 0.5037836714454434
Energy: -1.1460362845998453
Energy: -0.8852891909456845
Energy: -0.7512093353135357
Energy: -0.8964020651385952
Energy: -0.850178513150273
Energy: -0.29153907746992835
Energy: -1.082015474730359
Energy: -0.2822651064625215
Energy: -0.5866738268681233
Energy: -0.7201695843465371
Energy: -1.3378307548998025
Energy: -0.7210654213991307
Energy: -0.7629777691120877
Energy: 0.5174605181034598
Energy: -1.4308080746634855
Energy: 0.5174605181021608
Energy: -0.7587249056414205
Energy: 0.525470447684837
Energy: -0.8266063472070668
Energy: 0.5254704476802903
Energy: -0.0038089134330619055
Energy: 0.0025789109922209246
Energy: -1.5817097451937596
Energy: -0.29772727695897977
Energy: -0.5672734747734164
Energy: -0.011830322421439483
Energy: -1.348716650426735
Energy: -0.011828610491258162
Energy: 0.10969306893131424
Energy: -0.7563100638084828
Energy: -1.4166729504501234
Energy: -0.7323842782302192
Energy: -0.5747621952822075
Energy: -0.46024486464329456
Energy: -0.8678927996045368
Energy: -0.4718331904487897
Energy: -0.006008739786950927
Energy: 0.5982107249610767
Energy: -1.1589289960000169
Energy: 0.5982107249597778
Energy: -0.5208546268158166
Energy: 0.539460557424446
Energy: -1.25593547045254
Energy: 0.5394605574237965
Energy: -0.6863173459152458
Energy: -0.6963213545568184
Energy: -1.1412679323543768
Energy: -0.6897374058562393
Energy: -0.8800040475345156
Energy: -0.2686775863855913
Energy: -0.8869804108939953
Energy: -0.18775485734595998
Energy: -1.32481350018269
Energy: 0.5425794142231606
Energy: -1.0248133809386262
Energy: 0.542579414273823
Energy: -1.2575434563350387
Energy: -0.3020268415470958
Energy: -1.2483595686581308
Energy: -0.33074355905966435
Energy: -1.3751088081898497
Energy: -0.6671874214065235
Energy: -0.8258944723107646
Energy: -0.670205573209348
Energy: -1.4186133277842292
Energy: -0.3262288893325488
Energy: -0.21339086205628463
Energy: -0.32006258985457847
Energy: -0.8172591166297045
Energy: 0.09693545982691217
Energy: -0.7572864541016767
Energy: 0.09603286344545027

minimum gb energy = -1.5817097451937596 eV
minimum distance =  2.23913376438644 Angstroms
sigma value = 85


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

Energy: 0.6543817869878853
Energy: 0.4764644021682869
Energy: -1.181460506457442
Energy: 0.4764644021660336
Energy: 0.47304157642524736
Energy: 0.22711606531381412
Energy: -0.0848516656136397
Energy: 0.2271161202605704
Energy: 0.5859553722317231
Energy: 0.22509522597073173
Energy: -0.5978290379601686
Energy: 0.2250952930653632
Energy: 0.0571326818608151
Energy: 0.28537696822983805
Energy: -0.40112567322565096
Energy: 0.2853753394632343
Energy: 0.24668587790403057
Energy: 0.18457984070540295
Energy: -0.6997683321650698
Energy: 0.18457970132292656
Energy: 0.17436369676097643
Energy: 0.3102357755388215
Energy: -0.023850784052024163
Energy: 0.3102357756565058
Energy: 0.14581956994480233
Energy: 0.4630623448159541
Energy: -0.13409669911297137
Energy: 0.46306234481877073
Energy: 0.03252021844432401
Energy: 0.26726944035953315
Energy: 0.0763938898628231
Energy: 0.26741216726654277
Energy: 0.06419366342659501
Energy: 0.4362143622573773
Energy: -0.32291762727023093
Energy: 0.4362143622585039
Energy: -0.1288101841874736
Energy: 0.5004051442717626
Energy: -0.3227803423323957
Energy: 0.5004051442785226
Energy: -0.08695208594901177
Energy: 0.46073891378932386
Energy: -0.023359037161847732
Energy: 0.4607389137898872
Energy: -0.3134129460994979
Energy: 0.14973688435973373
Energy: 0.2733904412580712
Energy: 0.1501989187986693
Energy: 0.011263316956182025
Energy: 0.4284724377329127
Energy: 0.08868937065858341
Energy: 0.42847243773403937
Energy: -1.0045849494933452
Energy: 0.48260326890415933
Energy: 0.3305932425891998
Energy: 0.48260326890077937
Energy: -0.14432755615592502
Energy: 0.2863700540204454
Energy: 0.33821880235167007
Energy: 0.28637006333995574
Energy: -1.046625719771206
Energy: 0.45891876745396226
Energy: 0.41238393376631893
Energy: 0.45891876745170895
Energy: 0.018889891820767068
Energy: 0.46705940816023445
Energy: 0.26227278358816103
Energy: 0.46705940818445746
Energy: -0.678610256577744
Energy: 0.21259104637790907
Energy: 0.23935920130760122
Energy: 0.21259104681318194
Energy: -0.008209607771441056
Energy: 0.1942053251557238
Energy: 0.3426775572469822
Energy: 0.19420525945980885
Energy: -0.2615359825497709
Energy: 0.44758839342910967
Energy: 0.2737328507871972
Energy: 0.4475883934302363
Energy: -0.00925664479041517
Energy: 0.40165546925370926
Energy: -0.08081629973272518
Energy: 0.40165546925370926
Energy: -0.05209849817768302
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Energy: -0.22118300590153545
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Energy: 0.004373193925057098
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Energy: 0.03607594304996124
Energy: 0.26440270873516303
Energy: -0.024376467308952588
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Energy: 0.08122713113383241
Energy: 0.4596212632373941
Energy: 0.08846250536356579
Energy: 0.40318065828638255
Energy: -0.0761414670576462
Energy: 0.4031806582869459
Energy: -0.0869434170828867
Energy: 0.30105187028024677
Energy: -0.12066759416782581
Energy: 0.30105186025803654
Energy: 0.2820915156667832
Energy: 0.2002590773194125
Energy: -0.35121051606021336
Energy: 0.20025906292153062
Energy: 0.3883946197569505
Energy: 0.483292617961364
Energy: 0.06827901538560532
Energy: 0.4832926179500975
Energy: 0.2053438270021982
Energy: 0.24888071468576473
Energy: -1.1193093508323935
Energy: 0.24888073017378767
Energy: 0.4946631969834615
Energy: 0.18827095508486605
Energy: -0.13581028245300944
Energy: 0.22553864296456677
Energy: 0.6532801340378955
Energy: 0.4805296391709438
Energy: -0.5749113787504961
Energy: 0.4805296391675639
Energy: 0.5652555318862609
Energy: 0.4592150359219171
Energy: -0.1805349803755609
Energy: 0.45921503592755036
Energy: 0.19021709009171361
Energy: 0.23277784747104463
Energy: -0.6954510717545922
Energy: 0.23277787796111818
Energy: 0.4155419553148559
Energy: 0.25828816352748024
Energy: -0.11449135766584435
Energy: 0.2582821362195606
Energy: 0.2917688433924743
Energy: 0.4047395819501505
Energy: -0.3425841087006558
Energy: 0.40473958094786294
Energy: 0.07395783012635838
Energy: 0.4828139411458304
Energy: -0.4314761660466754
Energy: 0.48281394096564245
Energy: 0.038907489570262674
Energy: 0.28920067504864294
Energy: -0.09360022946215067
Energy: 0.28920412779512333
Energy: 0.12985673367433287
Energy: 0.20212226509643438
Energy: -0.12771601399294305
Energy: 0.1618631030728797
Energy: -0.026418055347410114
Energy: 0.3974215243180971
Energy: 0.041624085961165236
Energy: 0.3974215231975619
Energy: -0.13392727358160944
Energy: 0.5333578063506351
Energy: 0.1811240551081304
Energy: 0.533357806352325
Energy: -0.11268903679393272
Energy: 0.4715316522389368
Energy: 0.34293135177123624
Energy: 0.4715316522417534
Energy: -0.2096939236783168
Energy: 0.17810568119686168
Energy: 0.2869480610341754
Energy: 0.15901173995652362
Energy: -0.020967264370655422
Energy: 0.24229219290717854
Energy: 0.371087980910254
Energy: 0.24229219285087136

minimum gb energy = -1.181460506457442 eV
minimum distance =  2.2531218084478 Angstroms
sigma value = 113


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

Energy: 0.01706526147564868
Energy: 0.01775786473841383
Energy: 0.4547388806877962
Energy: 0.01775786473629666
Energy: 0.4535343501237094
Energy: 0.0823843115033658
Energy: -5.34011218674782
Energy: 0.08238431150634908
Energy: 0.01706526147526374
Energy: 0.017757864738846885
Energy: -1.3414613811295826
Energy: 0.017757864737162777
Energy: 0.4535343501232763
Energy: 0.0823843115033658
Energy: -5.34011218674782
Energy: 0.08238431150634908
Energy: 0.01706526147564868
Energy: 0.017757864737980775
Energy: -1.3390156586820012
Energy: 0.017757864737980775
Energy: 0.4535343501249604
Energy: 0.0823843115033658
Energy: -5.340112186748255
Energy: 0.08238431150634908

minimum gb energy = -5.340112186748255 eV
minimum distance =  2.55705214872617 Angstroms
sigma value = 1