Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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=2.855312466621399
cohesive_energy=4.013297947344727
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: 0.012435498386751589
Energy: 0.012651039639985031
Energy: 2.1611533359344546
Energy: 0.012651039640990404
Energy: 0.012651039640990404
Energy: 0.012667990544786779
Energy: 0.41253083480936115
Energy: 0.012667990544786779
Energy: 2.1611533359364095
Energy: 0.41253083480936115
Energy: 0.4125065388743017
Energy: 0.41253083480936115
Energy: 0.012651039639985031
Energy: 0.012667990544786779
Energy: 0.41253083480936115
Energy: 0.012667990544786779

minimum gb energy = 0.012435498386751589 eV
minimum distance =  2.47042996282062 Angstroms
sigma value = 1


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

Energy: 1.4086413270783755
Energy: 1.2252510693459058
Energy: 0.9054615574713728
Energy: 1.2252510693459058
Energy: 1.4424510236951014
Energy: 0.9012103420229487
Energy: 1.0467486211349166
Energy: 0.9012103420229487
Energy: 1.6075095048697006
Energy: 0.9106246934668203
Energy: 0.9040545972826719
Energy: 0.9106246934668203
Energy: 1.3248325299132886
Energy: 0.9028856955097402
Energy: 0.9830246487811289
Energy: 0.9028856955085208
Energy: 1.326313181276287
Energy: 0.9028076756940698
Energy: 1.2937183743419847
Energy: 0.902807675695289
Energy: 1.440372473006391
Energy: 0.8962578194044278
Energy: 0.8959917121258637
Energy: 0.8962578194044278
Energy: 1.1071871571413274
Energy: 1.1584695761587898
Energy: 0.895896643013335
Energy: 1.1584695761587898
Energy: 0.9027434672725779
Energy: 0.8951801327225358
Energy: 1.2849628854906907
Energy: 0.8951801327225358
Energy: 1.10653447248458
Energy: 1.0463681523493127
Energy: 1.276270791545168
Energy: 1.0463681523480932
Energy: 1.4605876154337114
Energy: 1.15453585898422
Energy: 1.1329560131164245
Energy: 1.1545358589854393
Energy: 0.8990111588949367
Energy: 1.052147746839159
Energy: 1.2761964325642043
Energy: 1.0521477468367202
Energy: 0.898989155667604
Energy: 0.8989282507472427
Energy: 1.8041198838419839
Energy: 0.8989282507472427
Energy: 1.0881686378191502
Energy: 1.0522351527095224
Energy: 1.329713301021864
Energy: 1.052235152707084
Energy: 0.9099184713356542
Energy: 1.156623967871024
Energy: 1.3688907485248505
Energy: 1.1566239678698047
Energy: 0.9070858784571673
Energy: 0.8953762856553705
Energy: 1.4368607399608242
Energy: 0.8953762856553705
Energy: 0.9669245036655609
Energy: 0.8954042661161583
Energy: 1.4400816070065807
Energy: 0.8954042661185969
Energy: 0.9100919973809828
Energy: 1.1566239150915065
Energy: 1.3697532588127441
Energy: 1.1566239150915065
Energy: 1.0889378876771714
Energy: 1.0518078419613381
Energy: 1.306481226948614
Energy: 1.051807841960119
Energy: 0.8985685620247659
Energy: 0.8988447083178402
Energy: 1.82962750255739
Energy: 0.8988447083178402
Energy: 0.8991486235496013
Energy: 1.0518679754483653
Energy: 1.1090384619316518
Energy: 1.0518679754483653
Energy: 1.4615794926153565
Energy: 1.1539655271336997
Energy: 1.125193106667464
Energy: 1.1539655271336997
Energy: 1.1064861355525544
Energy: 1.0409182102386567
Energy: 1.2761889123128325
Energy: 1.0409182102374372
Energy: 1.1274036990571186
Energy: 0.8953057748127229
Energy: 1.1007841225534223
Energy: 0.8953057748127229
Energy: 1.2717641908875215
Energy: 1.1570944383175144
Energy: 0.8960682366367814
Energy: 1.1570944383175144
Energy: 1.4419138310223156
Energy: 0.8962468131527975
Energy: 0.8960291344763148
Energy: 0.8962468131527975
Energy: 1.3688463699287219
Energy: 0.9031251385601473
Energy: 1.2893025626151458
Energy: 0.9031251385601473
Energy: 1.2977155518282386
Energy: 0.9033710532209153
Energy: 0.9105740680126568
Energy: 0.9033710530758743
Energy: 1.607483655022689
Energy: 0.9105301097721211
Energy: 0.9302861644910722
Energy: 0.9105301097721211
Energy: 1.443373092196897
Energy: 0.9011013705482245
Energy: 1.0468038966686433
Energy: 0.9011013705482245
Energy: 1.4024544649605313
Energy: 1.0543319684861403
Energy: 0.910922762747268
Energy: 1.0543319684861403
Energy: 1.443164511660711
Energy: 0.9012072146360314
Energy: 0.9429869744905373
Energy: 0.9012072146360314
Energy: 1.440208556066717
Energy: 0.898298160869869
Energy: 0.9040472545263142
Energy: 0.8982981608686498
Energy: 1.3268035910523275
Energy: 1.041887029617852
Energy: 0.9829247471008827
Energy: 1.0418870296166327

minimum gb energy = 0.8951801327225358 eV
minimum distance =  2.2660375594284 Angstroms
sigma value = 1


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

Energy: 1.518458588167862
Energy: 1.2411476162494235
Energy: 0.9548489062370396
Energy: 1.241147616250814
Energy: 1.3479164257858114
Energy: 1.0810807191838854
Energy: 1.1244629972198115
Energy: 1.0810807191838854
Energy: 1.3558040525941624
Energy: 0.9479086696181251
Energy: 0.9560817468205047
Energy: 0.9479086696181251
Energy: 0.9323144015601489
Energy: 1.0828838255281974
Energy: 1.1243846330836087
Energy: 1.0828838255268072
Energy: 0.9322329522242963
Energy: 1.0826871786329249
Energy: 1.3917631520358742
Energy: 1.0826871786315346
Energy: 1.3559387054760643
Energy: 0.9308412946601557
Energy: 0.9311717729962271
Energy: 0.9308412946601557
Energy: 1.0136298731556805
Energy: 1.0042985796630903
Energy: 0.9314947166330778
Energy: 1.0042985796630903
Energy: 0.930841232008739
Energy: 0.9310160086931504
Energy: 1.3848949956431147
Energy: 0.9310160086931504
Energy: 1.0136877954302208
Energy: 1.080970342769096
Energy: 1.3560185258076245
Energy: 1.080970342769096
Energy: 1.1256933602926122
Energy: 0.9326970534378362
Energy: 0.9323809347563161
Energy: 0.9326970534378362
Energy: 1.0171519744429598
Energy: 1.083020531438982
Energy: 1.3567791418836583
Energy: 1.083020531437592
Energy: 1.0174596550965591
Energy: 0.9308300377600643
Energy: 1.7346617014004129
Energy: 0.9308300377600643
Energy: 1.1246467032201564
Energy: 1.0808848348844227
Energy: 1.4138555995756794
Energy: 1.0808848348830324
Energy: 1.1246467032215464
Energy: 1.0807893411825849
Energy: 1.4139659321695102
Energy: 1.0807893411825849
Energy: 1.0174647038475233
Energy: 0.9308174136474889
Energy: 1.7348819169059977
Energy: 0.9308174136474889
Energy: 1.0171697075538872
Energy: 1.0830236598856846
Energy: 1.3568010748181953
Energy: 1.0830236598856846
Energy: 1.1256933602912218
Energy: 0.9327177293869501
Energy: 0.9324205198827215
Energy: 0.9327177293883404
Energy: 1.013703598523614
Energy: 1.0809695585775327
Energy: 1.3560389802451378
Energy: 1.0809695585775327
Energy: 0.9308436911280317
Energy: 0.9310152361102909
Energy: 1.3848949956458951
Energy: 0.9310152361102909
Energy: 1.0137719307399413
Energy: 1.0043922692380038
Energy: 0.9312962973589938
Energy: 1.0043922692380038
Energy: 1.35607312453178
Energy: 0.9308448478262084
Energy: 0.9312571415598367
Energy: 0.9308448478262084
Energy: 0.9322362493278363
Energy: 1.0823835839629277
Energy: 1.3917631520455742
Energy: 1.0823835839629277
Energy: 0.9323412591198548
Energy: 1.0827788410741057
Energy: 1.1243846330752674
Energy: 1.0827788410741057
Energy: 1.3558648119168253
Energy: 0.947913549938762
Energy: 0.9558822130224929
Energy: 0.9479135499401521
Energy: 1.3479621930647714
Energy: 1.081097718952786
Energy: 1.124462997217031
Energy: 1.0810977189541762
Energy: 1.5184585881692525
Energy: 1.2411476162494235
Energy: 0.9548489062300887
Energy: 1.2411476162494235
Energy: 1.3479164257858114
Energy: 1.0810807191838854
Energy: 1.1244629972198115
Energy: 1.0810807191838854
Energy: 1.3558040525927724
Energy: 0.9479086696181251
Energy: 0.9560817468205047
Energy: 0.9479086696181251
Energy: 0.9323144015601489
Energy: 1.0828838255268072
Energy: 1.1243846330836087
Energy: 1.0828838255268072

minimum gb energy = 0.9308174136474889 eV
minimum distance =  2.27911471000948 Angstroms
sigma value = 25


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

Energy: 1.3434253475058262
Energy: 1.1108495679925108
Energy: 1.0195021177523882
Energy: 1.1108495679925108
Energy: 1.4536731244692667
Energy: 0.9936121421423115
Energy: 1.1939607063975277
Energy: 0.9936121421406954
Energy: 1.4421544283203283
Energy: 1.0070292830504186
Energy: 1.0339449420085527
Energy: 1.0070292830488026
Energy: 1.296607855102724
Energy: 0.9923259968758823
Energy: 1.1145537973513433
Energy: 0.9923259968758823
Energy: 1.2654152536143206
Energy: 0.9922988313219776
Energy: 1.2831552728535622
Energy: 0.9922988313219776
Energy: 1.4420961394356424
Energy: 0.9939020432741837
Energy: 0.9936000890302865
Energy: 0.9939020432741837
Energy: 1.0050700833565673
Energy: 0.9925727463109502
Energy: 0.9936015893382456
Energy: 0.992572746309334
Energy: 1.007402767670204
Energy: 1.0045946845760476
Energy: 1.468480069392447
Energy: 1.0045946845760476
Energy: 1.094193087156639
Energy: 1.2263639995720972
Energy: 1.2700658652837857
Energy: 1.2263639995720972
Energy: 1.080417145531089
Energy: 1.0018943439311163
Energy: 1.3298159766649658
Energy: 1.0018943439327324
Energy: 1.0801749959825642
Energy: 1.0772877293815155
Energy: 1.450811716159193
Energy: 1.0772877293815155
Energy: 1.101550177340934
Energy: 1.0048997880728932
Energy: 1.4435280043728307
Energy: 1.0048997880712771
Energy: 1.0801621448336516
Energy: 1.001595630447876
Energy: 1.316189099297456
Energy: 1.001595630447876
Energy: 1.1358058042332244
Energy: 0.9924056054881538
Energy: 1.273410832264645
Energy: 0.9924056054865378
Energy: 0.9970260134471592
Energy: 1.0051737979327713
Energy: 1.690071342045131
Energy: 1.0051737979327713
Energy: 1.0048476869860137
Energy: 0.9933544129064571
Energy: 0.9936981570592016
Energy: 0.9933544129064571
Energy: 1.7153201595733945
Energy: 0.9941134040505485
Energy: 0.9933300799533603
Energy: 0.9941134040505485
Energy: 1.2681424652159312
Energy: 0.9925766483153599
Energy: 1.297692395784662
Energy: 0.9925766483153599
Energy: 1.32433660008528
Energy: 0.9927035136701372
Energy: 1.1147305943630978
Energy: 0.9927035136701372
Energy: 1.2844681125161452
Energy: 0.9937827047316813
Energy: 1.00723965374284
Energy: 0.9937827047316813
Energy: 1.4535303969660855
Energy: 0.9941181297488458
Energy: 1.0597725965038658
Energy: 0.9941181297488458
Energy: 1.3451582990999709
Energy: 1.002439917475058
Energy: 1.0347382306856723
Energy: 1.002439917475058
Energy: 1.4532919651562133
Energy: 1.1437890325330533
Energy: 1.1938564687501863
Energy: 1.143789032531437
Energy: 1.4447640531122712
Energy: 1.0331756214505594
Energy: 1.0332940571038451
Energy: 1.0331756214505594
Energy: 1.2654295189264846
Energy: 0.9922855655113484
Energy: 1.0339840524605723
Energy: 0.9922855655113484

minimum gb energy = 0.9922855655113484 eV
minimum distance =  2.32052080931865 Angstroms
sigma value = 9


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

Energy: 1.0265295027859334
Energy: 1.0258336384326632
Energy: 1.1733800223602593
Energy: 1.0258336384326632
Energy: 1.0251473579574062
Energy: 1.0371889595173631
Energy: 1.0377285713981783
Energy: 1.0371889595177575
Energy: 1.1441907744640614
Energy: 1.075737180691866
Energy: 1.1441251024069947
Energy: 1.0757371806922604
Energy: 1.0372531429102185
Energy: 1.037466692793857
Energy: 1.149184019374166
Energy: 1.037466692793857
Energy: 1.037273794364278
Energy: 1.0374605215268582
Energy: 1.144302094491233
Energy: 1.0374605215264858
Energy: 1.6934114518644758
Energy: 1.037368166349375
Energy: 1.037274351043079
Energy: 1.037368166349375
Energy: 1.1439496924746475
Energy: 1.0373061425272234
Energy: 1.037397034930074
Energy: 1.0373061425281873
Energy: 1.1442889045930926
Energy: 1.1438762226507255
Energy: 1.5373063574083063
Energy: 1.1438762226507255
Energy: 1.3095135425101763
Energy: 1.037193398045471
Energy: 1.0246548632086387
Energy: 1.0371933980448795
Energy: 1.309472615873549
Energy: 1.0250659703023441
Energy: 1.0248639038407983
Energy: 1.0250659703029137
Energy: 1.1492109892096942
Energy: 1.136979119674207
Energy: 1.5391702470092752
Energy: 1.1369791196744041
Energy: 1.1442946168234434
Energy: 1.0251788943781905
Energy: 1.1437840123968952
Energy: 1.0251788943783877
Energy: 1.3089686515884484
Energy: 1.0381853393262122
Energy: 1.0379202174634319
Energy: 1.0381853393258398
Energy: 1.1438143432417323
Energy: 1.1201386960530948
Energy: 1.143898582023961
Energy: 1.1201386960529196
Energy: 1.038631137971889
Energy: 1.0381822534024243
Energy: 1.308968651590201
Energy: 1.0381822534031913
Energy: 1.1437752722654664
Energy: 1.024606879465295
Energy: 1.1442771468293123
Energy: 1.0246068794649226
Energy: 1.5390871965777058
Energy: 1.1370622769774406
Energy: 1.1492038275667007
Energy: 1.1370622769782073
Energy: 1.0248530209089957
Energy: 1.0251031340901973
Energy: 1.3094726158777992
Energy: 1.0251031340901973
Energy: 1.0246404590521418
Energy: 1.0371816157888178
Energy: 1.3095135425098037
Energy: 1.0371816157897817
Energy: 1.537429153166815
Energy: 1.1438683664618479
Energy: 1.144365276269095
Energy: 1.1438683664614757
Energy: 1.0373758709787024
Energy: 1.0380268293859602
Energy: 1.143793622190294
Energy: 1.0380268293855877

minimum gb energy = 1.0246068794649226 eV
minimum distance =  2.29353896762508 Angstroms
sigma value = 25


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

Energy: 1.1287805957977566
Energy: 1.3758289161648003
Energy: 1.2434590528736027
Energy: 1.3758289161650439
Energy: 1.50093449218597
Energy: 1.21021823320506
Energy: 1.1582039564998103
Energy: 1.21021823320506
Energy: 1.3125042991480291
Energy: 1.161008971677874
Energy: 1.1576293238060371
Energy: 1.1610089716783616
Energy: 1.1476784350387683
Energy: 1.1288360739017764
Energy: 1.1600115413325163
Energy: 1.1288360739015326
Energy: 1.2525941063641206
Energy: 1.2038583283879603
Energy: 1.5102673487974456
Energy: 1.2038583283879603
Energy: 1.5770441991924735
Energy: 1.1047129854582418
Energy: 1.1044202043679356
Energy: 1.1047129854582418
Energy: 1.2046666944759492
Energy: 1.1283094661182533
Energy: 1.1760383635680023
Energy: 1.12830946612397
Energy: 1.208160438120646
Energy: 1.2131908523434514
Energy: 1.529774398644704
Energy: 1.213190852343695
Energy: 1.204450617187307
Energy: 1.1046438476601121
Energy: 1.1043736927802408
Energy: 1.1046438476594076
Energy: 1.3125795856936782
Energy: 1.10463726647443
Energy: 1.1042854759157312
Energy: 1.1046372664748907
Energy: 1.1294685977240335
Energy: 1.128818976751674
Energy: 1.4484345696619847
Energy: 1.1288189767514574
Energy: 1.1282472864165798
Energy: 1.104208884700747
Energy: 1.1603065569245388
Energy: 1.1042088847012346
Energy: 1.3883878054032233
Energy: 1.1602818785566809
Energy: 1.1608628341485616
Energy: 1.1602818785571685
Energy: 1.5036681706244828
Energy: 1.1042450345589656
Energy: 1.3321727762041393
Energy: 1.1042450345601575
Energy: 1.5064965867977855
Energy: 1.3369908690939643
Energy: 1.3308596255702307
Energy: 1.3369908690939643
Energy: 1.5013655748280326
Energy: 1.1291290178292424
Energy: 1.1602687002282817
Energy: 1.1291290178297302
Energy: 1.1290581319887854
Energy: 1.105539489011095
Energy: 1.1617113079375132
Energy: 1.1055394890106072

minimum gb energy = 1.104208884700747 eV
minimum distance =  2.28414803081101 Angstroms
sigma value = 17


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

Energy: 1.4423999453817034
Energy: 1.3259418185902032
Energy: 1.3202701546598374
Energy: 1.3259418185915537
Energy: 1.36761791211256
Energy: 1.2180124778572778
Energy: 1.2093756252214698
Energy: 1.2180124778572778
Energy: 1.1603430257096214
Energy: 1.1479175635620573
Energy: 1.170710090837496
Energy: 1.1479175635634076
Energy: 1.134968566238103
Energy: 1.1344265836810639
Energy: 1.1826310180382722
Energy: 1.1344265836810639
Energy: 1.1652835167796092
Energy: 1.2230176041552798
Energy: 1.4053778782828759
Energy: 1.2230176041525795
Energy: 1.5163343153631565
Energy: 1.3067085592533054
Energy: 1.1477515918887493
Energy: 1.3067085592533054
Energy: 1.310647187152433
Energy: 1.1334849326956877
Energy: 1.4071145723802556
Energy: 1.1334849326956877
Energy: 1.1926446492320986
Energy: 1.1338543493040032
Energy: 1.4527747749928868
Energy: 1.1338543493040032
Energy: 1.2128900666689797
Energy: 1.1444975460601887
Energy: 1.1418085827782012
Energy: 1.1444975460601887
Energy: 1.4395817375561724
Energy: 1.2243257206351008
Energy: 1.1428775864939753
Energy: 1.2243257206351008
Energy: 1.140511278801326
Energy: 1.1382859865891248
Energy: 1.4167258837047023
Energy: 1.138285986590475
Energy: 1.1377906501986368
Energy: 1.1425652584738186
Energy: 1.2734226940965414
Energy: 1.142565258468448
Energy: 1.439820119360945
Energy: 1.1952637473568828
Energy: 1.2292030316709026
Energy: 1.1952637473568828
Energy: 1.1376904806642434
Energy: 1.1382401658968835
Energy: 1.2242584988688445
Energy: 1.1382401658968835
Energy: 1.137887503389956
Energy: 1.2292412195087665
Energy: 1.4711810916572892
Energy: 1.2292412195087665
Energy: 1.390823311537005
Energy: 1.1421435700360556
Energy: 1.1408101128901533
Energy: 1.1421435700360556
Energy: 1.191832362301581
Energy: 1.3002670568042616
Energy: 1.1425399174581023
Energy: 1.300267056805612
Energy: 1.180268402527789
Energy: 1.1980976378204395
Energy: 1.3871165130255176
Energy: 1.1980976378204395
Energy: 1.311384692423071
Energy: 1.303278415505605
Energy: 1.2700197514670777
Energy: 1.303278415505605
Energy: 1.5321735399633913
Energy: 1.2248138492701721
Energy: 1.3896544243456754
Energy: 1.2248138492701721
Energy: 1.1443541600606109
Energy: 1.1600218343006072
Energy: 1.4099445902488255
Energy: 1.160021834299257
Energy: 1.145731678909706
Energy: 1.1421174175045599
Energy: 1.1594423276216534
Energy: 1.1421174175032096
Energy: 1.3919308465811255
Energy: 1.159733213483293
Energy: 1.1593123289732912
Energy: 1.159733213483293
Energy: 1.3955170234786434
Energy: 1.1339005302492389
Energy: 1.4056105554268261
Energy: 1.1339005302505891
Energy: 1.4147543666688343
Energy: 1.1337190218680664
Energy: 1.4016541052816995
Energy: 1.1337190218694166
Energy: 1.3953830478497788
Energy: 1.1601923771677825
Energy: 1.1590798546344874
Energy: 1.1601923771677825
Energy: 1.145676559624431
Energy: 1.1424846891956002
Energy: 1.1469368280221588
Energy: 1.1424846891942502
Energy: 1.1445598207434633
Energy: 1.144237190104586
Energy: 1.396552711641642
Energy: 1.144237190104586
Energy: 1.1595576663629579
Energy: 1.2244780816258305
Energy: 1.3923411746277317
Energy: 1.2244780816258305
Energy: 1.268408163281236
Energy: 1.3068322229693008
Energy: 1.146622436817156
Energy: 1.3068322229693008

minimum gb energy = 1.1334849326956877 eV
minimum distance =  2.26199945236009 Angstroms
sigma value = 53


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

Energy: 1.0527257144589124
Energy: 1.0713385021121127
Energy: 1.1851666903407094
Energy: 1.0713385021071318
Energy: 1.0527641859524328
Energy: 1.099902226103606
Energy: 1.0524671517146063
Energy: 1.099902226103606
Energy: 1.547509375322991
Energy: 1.1610286573138593
Energy: 1.134718240905483
Energy: 1.1610286573141773
Energy: 1.1346953700681877
Energy: 1.1610929211995114
Energy: 1.5475493792392836
Energy: 1.1610929211991932
Energy: 1.052442053849013
Energy: 1.0998811377475266
Energy: 1.0533428112445995
Energy: 1.0998811377472086
Energy: 2.322166727094812
Energy: 1.0713385021084034
Energy: 1.0527257144592306
Energy: 1.0713385021121127
Energy: 1.0524671517142885
Energy: 1.099902226103288
Energy: 1.0527641859524328
Energy: 1.0999022261039237
Energy: 1.134718240905483
Energy: 1.1610286573138593
Energy: 1.5475093753232738
Energy: 1.1610286573141773
Energy: 1.5475493792386479
Energy: 1.1610929211991932
Energy: 1.1346953700681877
Energy: 1.1610929211991932
Energy: 1.0533428112452354
Energy: 1.0998811377478446
Energy: 1.0524420538484127
Energy: 1.0998811377472086
Energy: 1.0527257144589124
Energy: 1.0713385021071318
Energy: 1.185166689759646
Energy: 1.0713385021074497
Energy: 1.0527641859521153
Energy: 1.099902226103606
Energy: 1.0524671517142885
Energy: 1.0999022261039237
Energy: 1.5475093753235916
Energy: 1.1610286573138593
Energy: 1.1347182409052003
Energy: 1.1610286573138593

minimum gb energy = 1.0524420538484127 eV
minimum distance =  2.26641454253094 Angstroms
sigma value = 9


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

Energy: 1.2936809333280903
Energy: 1.307278368184342
Energy: 1.3512678082684226
Energy: 1.307278368184342
Energy: 1.5196539919992134
Energy: 1.2718424910940018
Energy: 1.25584454633508
Energy: 1.2718424910928514
Energy: 1.2138174024303208
Energy: 1.1796034505938184
Energy: 1.1788872326604731
Energy: 1.1796034505938184
Energy: 1.2186441976713365
Energy: 1.2535144103471132
Energy: 1.250745797564186
Energy: 1.2535144103494142
Energy: 1.3085198715363848
Energy: 1.1748310675933593
Energy: 1.4983871381344762
Energy: 1.1748310675945097
Energy: 1.4859886646502867
Energy: 1.2569913857952877
Energy: 1.2795693978349187
Energy: 1.2569913857952877
Energy: 1.2348566841210094
Energy: 1.2718989921642676
Energy: 1.5551169863760577
Energy: 1.271898992165418
Energy: 1.1750020185997634
Energy: 1.2306223385670878
Energy: 1.2534323578857653
Energy: 1.2306223385670878
Energy: 1.23568062193995
Energy: 1.239026885239093
Energy: 1.2327074925442787
Energy: 1.2390268852402437
Energy: 1.3004117682097196
Energy: 1.179203509312824
Energy: 1.309149685708968
Energy: 1.179203509312824
Energy: 1.1914697916828803
Energy: 1.2543694593959354
Energy: 1.5430995927361824
Energy: 1.2543694593947847
Energy: 1.6016633925152766
Energy: 1.2992095013858982
Energy: 1.2275922535678914
Energy: 1.2992095013869962
Energy: 1.2499000599011008
Energy: 1.185863083970271
Energy: 1.1885673772251093
Energy: 1.1858630839714215
Energy: 1.261392769659101
Energy: 1.2865644956775055
Energy: 1.331266049046376
Energy: 1.2865644956775055
Energy: 1.2926024030861838
Energy: 1.2790821668121652
Energy: 1.2283549344783713
Energy: 1.2790821668121652
Energy: 1.4853843251876164
Energy: 1.187274383483823
Energy: 1.1913119285765543
Energy: 1.1872743835125867
Energy: 1.2777388336731814
Energy: 1.2588210006536849
Energy: 1.6307004186316363
Energy: 1.2588210006536849
Energy: 1.1944675372900777
Energy: 1.2503704648344087
Energy: 1.306265280718286
Energy: 1.2503704648332583
Energy: 1.5352266603609883
Energy: 1.2745018362938978
Energy: 1.2296645347125361
Energy: 1.2745018362938978
Energy: 1.2185693185787536
Energy: 1.2712493588058436
Energy: 1.228774358972662
Energy: 1.2712493588058436
Energy: 1.1774199033869719
Energy: 1.1967599302891498
Energy: 1.4684618971888732
Energy: 1.1967599302891498
Energy: 1.4369474579879997
Energy: 1.2819851039730674
Energy: 1.2788365373411001
Energy: 1.281985103943153
Energy: 1.3618698611071296
Energy: 1.2549527704057095
Energy: 1.278410633861262
Energy: 1.2549527704057095
Energy: 1.2697404261175158
Energy: 1.2139730675577731
Energy: 1.520247930921218
Energy: 1.2139730675566225
Energy: 1.228596565548881
Energy: 1.2685920857622541
Energy: 1.201672871821239
Energy: 1.2685920857611037
Energy: 1.372936467776443
Energy: 1.251480708167108
Energy: 1.2035497656314609
Energy: 1.251480708167108
Energy: 1.4948735098210466
Energy: 1.267211916377202
Energy: 1.444220474507449
Energy: 1.2672119163760516
Energy: 1.2929744482915997
Energy: 1.2672973721572334
Energy: 1.4450764453342744
Energy: 1.267297372156083
Energy: 1.4872317127155525
Energy: 1.2100189407979283
Energy: 1.216963707221881
Energy: 1.2100189407829711
Energy: 1.2242165424267093
Energy: 1.3118887360164913
Energy: 1.20318315254957
Energy: 1.3118887360153408
Energy: 1.207881669289445
Energy: 1.2549478109126
Energy: 1.5146411717236976
Energy: 1.254947810909148
Energy: 1.361870699876671
Energy: 1.2630775116881383
Energy: 1.280340285433481
Energy: 1.2630775116881383
Energy: 1.5631727474876542
Energy: 1.2641134066955377
Energy: 1.284152330643189
Energy: 1.2641134066966881
Energy: 1.2232543887979017
Energy: 1.1933265038355647
Energy: 1.4704527204919915
Energy: 1.1933265038367153
Energy: 1.2063497687419427
Energy: 1.2716524956693458
Energy: 1.2286612559035932
Energy: 1.2716524956704962

minimum gb energy = 1.1748310675933593 eV
minimum distance =  2.23392979584011 Angstroms
sigma value = 73


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

Energy: 1.4048554861144478
Energy: 1.292066676787256
Energy: 1.4173164498799795
Energy: 1.2920666767870692
Energy: 1.3685807000282588
Energy: 1.2805791484672997
Energy: 1.3066721909729562
Energy: 1.2805791484671132
Energy: 1.2476731427622225
Energy: 1.232396473303881
Energy: 1.1936404159806338
Energy: 1.2323964733046073
Energy: 1.2187982914094555
Energy: 1.1982247545403846
Energy: 1.3090453901823402
Energy: 1.1982247545400317
Energy: 1.3714050107698623
Energy: 1.1982409373346472
Energy: 1.3367043840053678
Energy: 1.198240937333195
Energy: 1.6659247039351852
Energy: 1.2835317363758236
Energy: 1.2032604539169713
Energy: 1.2835317363758236
Energy: 1.2515569570829252
Energy: 1.2755959112924273
Energy: 1.4391925761986146
Energy: 1.275595911291888
Energy: 1.1999628224088332
Energy: 1.1982264043944721
Energy: 1.2782125323289528
Energy: 1.1982264043940987
Energy: 1.4262879681972978
Energy: 1.2330310795715025
Energy: 1.333470033715273
Energy: 1.2330310795705897
Energy: 1.242156413771056
Energy: 1.2330593930618223
Energy: 1.322159472445854
Energy: 1.2330593930621956
Energy: 1.1979851779435342
Energy: 1.1979540024031938
Energy: 1.5723078510670971
Energy: 1.1979540024048534
Energy: 1.4256852127474706
Energy: 1.2862821426701045
Energy: 1.3351378367747175
Energy: 1.2862821426691917
Energy: 1.3705060099086566
Energy: 1.2821406001221176
Energy: 1.200464406895112
Energy: 1.2821406001230302
Energy: 1.2476395263284623
Energy: 1.341068259837509
Energy: 1.6637815207965065
Energy: 1.3410682598349577
Energy: 1.2187085391849422
Energy: 1.2859694922348168
Energy: 1.265075924687456
Energy: 1.2859694922353564
Energy: 1.3392306498080706
Energy: 1.2325899352864176
Energy: 1.2288512454707154
Energy: 1.2325899352845922
Energy: 1.3327054759536772
Energy: 1.2853400878473569
Energy: 1.5875203621708718
Energy: 1.2853400878405943
Energy: 1.3327558075464079
Energy: 1.2919402621246305
Energy: 1.5237568764851372
Energy: 1.2919402621253564
Energy: 1.5757649828673752
Energy: 1.2331214542174005
Energy: 1.2864867961147461
Energy: 1.233121454217753
Energy: 1.2185592033763037
Energy: 1.335699531691312
Energy: 1.193767485553476
Energy: 1.3356995316911255
Energy: 1.2474930828054178
Energy: 1.3077730185926024
Energy: 1.5928254872961989
Energy: 1.3077730185929757
Energy: 1.370540344852525
Energy: 1.2860778714592764
Energy: 1.200432565285321
Energy: 1.2860778714592764

minimum gb energy = 1.1936404159806338 eV
minimum distance =  2.23148406061508 Angstroms
sigma value = 7


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

Energy: 1.4951994630343137
Energy: 1.307317068191218
Energy: 1.431925796597324
Energy: 1.307317068191218
Energy: 1.4306524767941466
Energy: 1.30195673553287
Energy: 1.2619285487039713
Energy: 1.30195673553287
Energy: 1.297263102726956
Energy: 1.22856877825837
Energy: 1.2290384579285871
Energy: 1.2285687782596608
Energy: 1.2542340261533143
Energy: 1.2004575635426138
Energy: 1.2298297718575577
Energy: 1.200457563541323
Energy: 1.3204508195383298
Energy: 1.228273522853294
Energy: 1.2012839033710216
Energy: 1.2282735228520034
Energy: 1.6714211729773236
Energy: 1.2002789533521114
Energy: 1.2027973291590148
Energy: 1.2002789533521114
Energy: 1.274786454485765
Energy: 1.3172734705271263
Energy: 1.4958250795199495
Energy: 1.3172734705258355
Energy: 1.2028053530132756
Energy: 1.2002701311772204
Energy: 1.3164938459291786
Energy: 1.2002701311772204
Energy: 1.4167395149737758
Energy: 1.2286493684241266
Energy: 1.2630092490506393
Energy: 1.2286493684254176
Energy: 1.2296763220693478
Energy: 1.200492354731128
Energy: 1.2548717236958384
Energy: 1.200492354731128
Energy: 1.230107684530137
Energy: 1.22940636870313
Energy: 1.3721019729968833
Energy: 1.2294063687044208
Energy: 1.6069723703100784
Energy: 1.2814937978800036
Energy: 1.380628669001534
Energy: 1.2814937978800036
Energy: 1.724192633782824
Energy: 1.3233350570296303
Energy: 1.3812707538464555
Energy: 1.3233350570347933
Energy: 1.2309184564361448
Energy: 1.2298047296899846
Energy: 1.6228638808767035
Energy: 1.2298047296899846
Energy: 1.2294521506612361
Energy: 1.2773699302660046
Energy: 1.2504829335226417
Energy: 1.2773699302647137
Energy: 1.575411629695233
Energy: 1.4661453549807348
Energy: 1.2997185006729617
Energy: 1.4661453549820256
Energy: 1.2001961667592271
Energy: 1.2020281375594517
Energy: 1.3168237863075773
Energy: 1.2020281375594517
Energy: 1.270225282303586
Energy: 1.3032783591003085
Energy: 1.5539825345226839
Energy: 1.3032783590990176
Energy: 1.6672361798036794
Energy: 1.2016490359271268
Energy: 1.200174541697001
Energy: 1.2016490359284175
Energy: 1.3169116198054105
Energy: 1.2292999941423004
Energy: 1.2004459869897923
Energy: 1.229299994139719
Energy: 1.2971962317342276
Energy: 1.3474543821858116
Energy: 1.2931657214874523
Energy: 1.3474543821832299
Energy: 1.2502670080834424
Energy: 1.2295788872084914
Energy: 1.2320396658494133
Energy: 1.2295788872084914
Energy: 1.5123816079094403
Energy: 1.2911230312486894
Energy: 1.292736961577948
Energy: 1.2911230312499802
Energy: 1.3818326415464925
Energy: 1.3107149579810116
Energy: 1.6132879572064585
Energy: 1.310714957979721
Energy: 1.3797521111568838
Energy: 1.2004895764482095
Energy: 1.3230706348636825
Energy: 1.200489576450791
Energy: 1.3755184662661104
Energy: 1.2287036601369024
Energy: 1.2316542444462268
Energy: 1.2287036601369024
Energy: 1.2514972526437322
Energy: 1.200035321407196
Energy: 1.229989707056225
Energy: 1.200035321408487
Energy: 1.3167915073531897
Energy: 1.2283268210742775
Energy: 1.4213962431204334
Energy: 1.2283268210742775
Energy: 1.3172861768833315
Energy: 1.1998042820726667
Energy: 1.1997664144816735
Energy: 1.1998042820739576
Energy: 1.500850433588455
Energy: 1.3014629602102703
Energy: 1.495703635013478
Energy: 1.3014629602102703
Energy: 1.1997665632118204
Energy: 1.1997599970858626
Energy: 1.317286176882041
Energy: 1.1997599970858626

minimum gb energy = 1.1997599970858626 eV
minimum distance =  2.27893344115752 Angstroms
sigma value = 29


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

Energy: 1.1384732880968071
Energy: 1.291221939840637
Energy: 1.488188414335572
Energy: 1.2912219398393132
Energy: 1.5290635543224813
Energy: 1.214807717176075
Energy: 1.1886343699578619
Energy: 1.214807717176075
Energy: 1.390499401865438
Energy: 1.168552773729713
Energy: 1.1703278423058938
Energy: 1.168552773729713
Energy: 1.563844028043748
Energy: 1.291444776347302
Energy: 1.1671226047022245
Energy: 1.2914447763459778
Energy: 1.5866907069984426
Energy: 1.2506053778403714
Energy: 1.1688273456583682
Energy: 1.2506053778403714
Energy: 1.3920759492713288
Energy: 1.16868046695057
Energy: 1.168647034259598
Energy: 1.16868046695057
Energy: 1.4629363200135563
Energy: 1.2467567625373612
Energy: 1.492976448060316
Energy: 1.2467567625377858
Energy: 1.1354252500302147
Energy: 1.2459341065727283
Energy: 1.8187441787187855
Energy: 1.245934106629405
Energy: 1.5287937569088923
Energy: 1.3308808851571932
Energy: 1.2495353680102805
Energy: 1.3308808851558693

minimum gb energy = 1.1354252500302147 eV
minimum distance =  2.27819739405043 Angstroms
sigma value = 5


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

Energy: 1.3667342806011176
Energy: 1.3406349131008692
Energy: 1.7839956766394558
Energy: 1.3406349131008692
Energy: 1.5557046526223108
Energy: 1.2226093416080963
Energy: 1.3326147725893944
Energy: 1.2226093416495523
Energy: 1.2393645578862464
Energy: 1.2791332174319892
Energy: 1.2408355126333388
Energy: 1.2791332174319892
Energy: 1.2402632330384495
Energy: 1.2573003903624567
Energy: 1.3750720366070517
Energy: 1.2573003903636761
Energy: 1.188591426319454
Energy: 1.2583060770675434
Energy: 1.2181309989973956
Energy: 1.2583060770675434
Energy: 1.276895955392953
Energy: 1.2713589016626388
Energy: 1.2161164088751832
Energy: 1.2713589016626388
Energy: 1.317097090922033
Energy: 1.254854412900291
Energy: 1.3910059112680155
Energy: 1.254854412900291
Energy: 1.3190116703643247
Energy: 1.2696704019212846
Energy: 1.441454486127824
Energy: 1.2696704019212846
Energy: 1.4910267402940236
Energy: 1.2250826862603568
Energy: 1.3249819298090681
Energy: 1.2250826863298014
Energy: 1.4938052523399512
Energy: 1.2247505024692973
Energy: 1.326602847570151
Energy: 1.2247505024705165
Energy: 1.2376627675270493
Energy: 1.2714923533933362
Energy: 1.2573953210276883
Energy: 1.2714923533945557
Energy: 1.2370503752061195
Energy: 1.2854488539629092
Energy: 1.2121232763822885
Energy: 1.2854488539641284
Energy: 1.386910717444214
Energy: 1.2894684993104322
Energy: 1.209318134815937
Energy: 1.2894684993116516
Energy: 1.210788088992271
Energy: 1.2593550562265454
Energy: 1.2123696193485896
Energy: 1.2593550562265454
Energy: 1.2248941007837209
Energy: 1.349438497200178
Energy: 1.4552621484248012
Energy: 1.3494384972013973
Energy: 1.4962870705075926
Energy: 1.321298135424673
Energy: 1.3218188666817206
Energy: 1.321298135424673
Energy: 1.479826880992888
Energy: 1.2559449268112153
Energy: 1.4664840405789092
Energy: 1.2559449268112153
Energy: 1.239246647580118
Energy: 1.2782608821051935
Energy: 1.4388359269867261
Energy: 1.2782608821051935
Energy: 1.311330706417068
Energy: 1.2323967989860034
Energy: 1.2714339420131962
Energy: 1.2323967989884421
Energy: 1.2279178575782428
Energy: 1.2766112738557136
Energy: 1.2160673970134575
Energy: 1.2766112738544946
Energy: 1.2369044671739853
Energy: 1.2504255059991474
Energy: 1.248013084889324
Energy: 1.2504255060003666
Energy: 1.3643575060982571
Energy: 1.2587632196327516
Energy: 1.234238343442352
Energy: 1.2587632196327516
Energy: 1.2402273173052407
Energy: 1.280572192406359
Energy: 1.2327683946421841
Energy: 1.2805721924051396
Energy: 1.4439498982245134
Energy: 1.2302148386268978
Energy: 1.616598193876614
Energy: 1.2302148386012925
Energy: 1.4387079784711017
Energy: 1.2303626722668064
Energy: 1.5979366395870833
Energy: 1.2303626722668064
Energy: 1.382343378693518
Energy: 1.2583160197618133
Energy: 1.2306826665850454
Energy: 1.2583160197605943
Energy: 1.299092618589071
Energy: 1.2576765106234136
Energy: 1.2323722559519283
Energy: 1.257676510622194
Energy: 1.2546773335973964
Energy: 1.2544515312395337
Energy: 1.4140205060121287
Energy: 1.2544515312395337
Energy: 1.228894193848754
Energy: 1.280627626150667
Energy: 1.2140811948132064
Energy: 1.280627626150667
Energy: 1.461088586845287
Energy: 1.345920158016445
Energy: 1.297733428744171
Energy: 1.34592015800791
Energy: 1.2740336718468168
Energy: 1.2770161901969124
Energy: 1.3458534308927246
Energy: 1.2770161901969124
Energy: 1.3418047561314286
Energy: 1.2095776705650834
Energy: 1.5564965440074618
Energy: 1.2095776705650834
Energy: 1.6540458510764375
Energy: 1.3209692390617234
Energy: 1.3252605826667492
Energy: 1.3209692390617234

minimum gb energy = 1.188591426319454 eV
minimum distance =  2.23144040728568 Angstroms
sigma value = 1


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

Energy: 1.3444491125527012
Energy: 1.2749757683809848
Energy: 1.7366450539892853
Energy: 1.2749757683809848
Energy: 1.3555156539510655
Energy: 1.2310570087964614
Energy: 1.3023602034329955
Energy: 1.2310570087964614
Energy: 1.2849608695405657
Energy: 1.2619127666372714
Energy: 1.402834423342966
Energy: 1.2619127666372714
Energy: 1.2625652332795605
Energy: 1.2330320728212794
Energy: 1.3391676973543953
Energy: 1.2330320728212794
Energy: 1.1845274785918243
Energy: 1.2098729815086575
Energy: 1.1888839424365645
Energy: 1.2098729815086575
Energy: 1.1848256511426434
Energy: 1.2031851513811374
Energy: 1.1886870460695231
Energy: 1.2031851513811374
Energy: 1.3118566448035276
Energy: 1.226453542444219
Energy: 1.3189116111154238
Energy: 1.226453542444219
Energy: 1.31197706291369
Energy: 1.2259263317411022
Energy: 1.2579274416694115
Energy: 1.2259263317394162
Energy: 1.2777846582860477
Energy: 1.2090014431168654
Energy: 1.211128564133149
Energy: 1.2090014431168654
Energy: 1.2777846582759325
Energy: 1.2092743113140285
Energy: 1.2109351523917131
Energy: 1.2092743113140285
Energy: 1.311724359502679
Energy: 1.2260986240744562
Energy: 1.2579274415699828
Energy: 1.2260986240744562
Energy: 1.311784964124589
Energy: 1.2266907432413412
Energy: 1.318911611113738
Energy: 1.2266907432413412
Energy: 1.1848538945495193
Energy: 1.2532092959478216
Energy: 1.1837820502816652
Energy: 1.2532092959377061
Energy: 1.1842688878399117
Energy: 1.2109233254724037
Energy: 1.1891373636963207
Energy: 1.2109233254724037
Energy: 1.216398415135284
Energy: 1.2315493142091476
Energy: 1.3655803825663662
Energy: 1.2315493142091476
Energy: 1.2849608695405657
Energy: 1.263766174567015
Energy: 1.344721489209415
Energy: 1.263766174567015
Energy: 1.3234980847200073
Energy: 1.1828238219185925
Energy: 1.3277360621982006
Energy: 1.1828238219135347
Energy: 1.3444491125527012
Energy: 1.2749757683809848
Energy: 1.7366450540027722
Energy: 1.2749757683809848
Energy: 1.3555156539527515
Energy: 1.2310570087964614
Energy: 1.3023602034329955
Energy: 1.2310570087964614
Energy: 1.2849608695405657
Energy: 1.2619127666372714
Energy: 1.4028344233412802
Energy: 1.2619127666372714
Energy: 1.2625652332795605
Energy: 1.2330320728212794
Energy: 1.3391676973527096
Energy: 1.2330320728212794
Energy: 1.1845274785918243
Energy: 1.209872981498542
Energy: 1.1888839424365645
Energy: 1.209872981498542
Energy: 1.1848256511426434
Energy: 1.2031851513811374
Energy: 1.188687046071209
Energy: 1.2031851513811374
Energy: 1.3118566448035276
Energy: 1.226453542444219
Energy: 1.3189116111171098
Energy: 1.226453542444219

minimum gb energy = 1.1828238219135347 eV
minimum distance =  2.22311476699871 Angstroms
sigma value = 17


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

Energy: 1.3957678043787252
Energy: 1.229544125579908
Energy: 1.7700485272198732
Energy: 1.229544125579908
Energy: 1.4702813850245355
Energy: 1.2794488691357329
Energy: 1.390114896028259
Energy: 1.279448869133649
Energy: 1.2006652484962475
Energy: 1.2240757468510606
Energy: 1.2223043268498501
Energy: 1.2240757468510606
Energy: 1.2369689460186712
Energy: 1.2031373341251905
Energy: 1.3794039282945485
Energy: 1.2031373341262328
Energy: 1.2122172149750308
Energy: 1.2172713832676607
Energy: 1.2128326210101317
Energy: 1.2172713832676607
Energy: 1.224422198089072
Energy: 1.2203938094519415
Energy: 1.2099730988961444
Energy: 1.2203938094508997
Energy: 1.2164286081230922
Energy: 1.2203343097569106
Energy: 1.1806801319577103
Energy: 1.2203343097569106
Energy: 1.2164368481219243
Energy: 1.2200356674394937
Energy: 1.2173060667280466
Energy: 1.2200356674394937
Energy: 1.454078576146261
Energy: 1.2090212123132607
Energy: 1.3686600859879725
Energy: 1.2090212123132607
Energy: 1.5018851899364518
Energy: 1.2097282255928938
Energy: 1.3654148053539692
Energy: 1.209728225593936
Energy: 1.2645085195838375
Energy: 1.204453970492077
Energy: 1.4673596769937134
Energy: 1.204453970492077
Energy: 1.2626573717575467
Energy: 1.2044292918407367
Energy: 1.3853716857797003
Energy: 1.204429291841779
Energy: 1.2264849557975062
Energy: 1.2240419173426804
Energy: 1.2179475763098646
Energy: 1.2240419173426804
Energy: 1.1887449563185206
Energy: 1.217858608990112
Energy: 1.2179136497719774
Energy: 1.217858608991154
Energy: 1.1934075720526525
Energy: 1.234760289016755
Energy: 1.2213575742213425
Energy: 1.2347602890177969
Energy: 1.1996920442633991
Energy: 1.2186998934606232
Energy: 1.1935078816337654
Energy: 1.2186998934595812
Energy: 1.3598850182122824
Energy: 1.1908847436913543
Energy: 1.255445867340626
Energy: 1.1908847436944803
Energy: 1.2594646161383458
Energy: 1.2283647488980713
Energy: 1.4016939446369328
Energy: 1.2283647488980713
Energy: 1.353674544903528
Energy: 1.194468122379754
Energy: 1.370138618377307
Energy: 1.194468122378712
Energy: 1.5908367723162202
Energy: 1.2112875301323607
Energy: 1.2711359819427022
Energy: 1.2112875301313186
Energy: 1.3070271976995635
Energy: 1.2941460540390626
Energy: 1.4341182930997594
Energy: 1.2941460540338525
Energy: 1.2100679203766977
Energy: 1.2164407380857465
Energy: 1.180469680539646
Energy: 1.2164407380857465
Energy: 1.3236785899597745
Energy: 1.2204923409085109
Energy: 1.259732303321094
Energy: 1.2204923409074688
Energy: 1.2031673296227958
Energy: 1.219301482633659
Energy: 1.1756214525495823
Energy: 1.219301482633659
Energy: 1.2209660128493347
Energy: 1.2388284920381516
Energy: 1.243290991572413
Energy: 1.2388284920381516
Energy: 1.2017827528036182
Energy: 1.2174814018884383
Energy: 1.2212983902089694
Energy: 1.2174814018884383
Energy: 1.337182137037829
Energy: 1.2177945182479446
Energy: 1.258355300028412
Energy: 1.2177945182489864
Energy: 1.3812800884778682
Energy: 1.1870739200294762
Energy: 1.5832789753359175
Energy: 1.1870739200378124
Energy: 1.3730500078221672
Energy: 1.1870285391452875
Energy: 1.5837429055456627
Energy: 1.1870285391452875
Energy: 1.2009989803839456
Energy: 1.2176691500487273
Energy: 1.221489521122356
Energy: 1.2176691500487273
Energy: 1.2028377478366667
Energy: 1.2180008303474432
Energy: 1.258817402978722
Energy: 1.2180008303474432
Energy: 1.1984509649160435
Energy: 1.2328888247613408
Energy: 1.21161395283421
Energy: 1.2328888247613408
Energy: 1.2065344376387184
Energy: 1.219819539839298
Energy: 1.1754170994100615
Energy: 1.219819539839298
Energy: 1.2673708066997518
Energy: 1.2226942820984932
Energy: 1.190482559087081
Energy: 1.2226942820984932
Energy: 1.2162113529665861
Energy: 1.2167185563238243
Energy: 1.2198470190926474
Energy: 1.2167185563227823
Energy: 1.3240454227652743
Energy: 1.1843112942821892
Energy: 1.3826015623498467
Energy: 1.1843112942821892
Energy: 1.608326127738853
Energy: 1.2107235658569484
Energy: 1.2706400644188096
Energy: 1.2107235658579905
Energy: 1.3802403228971185
Energy: 1.195035673154751
Energy: 1.4560061984213948
Energy: 1.1950356731516247

minimum gb energy = 1.1754170994100615 eV
minimum distance =  2.23769051835901 Angstroms
sigma value = 89


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

Energy: 1.292219362095096
Energy: 1.1524556971481181
Energy: 1.414705153337737
Energy: 1.1524556971478392
Energy: 1.250333956780282
Energy: 1.339723540720763
Energy: 1.272375493833773
Energy: 1.339723540720763
Energy: 1.2459857134544023
Energy: 1.1423979654461396
Energy: 1.1493964450164817
Energy: 1.1423979654458918
Energy: 1.1653051247215838
Energy: 1.1568715337668698
Energy: 1.318667246654261
Energy: 1.1568715337671487
Energy: 1.1673670885361616
Energy: 1.1566667787124398
Energy: 1.1380928053314328
Energy: 1.1566667787124398
Energy: 1.1599958061928042
Energy: 1.2843917796161008
Energy: 1.222182542095096
Energy: 1.284391779615822
Energy: 1.1592672474292625
Energy: 1.1427490347324991
Energy: 1.1380022609249933
Energy: 1.1427490347322202
Energy: 1.1606148127053995
Energy: 1.1652627695282385
Energy: 1.2662896271648556
Energy: 1.1652627695279905
Energy: 1.2452814984767324
Energy: 1.1569105298855498
Energy: 1.1398314706740804
Energy: 1.1569105298858284
Energy: 1.1587929957122296
Energy: 1.156943201070085
Energy: 1.1399242691467548
Energy: 1.1569432010695273
Energy: 1.2501548390105912
Energy: 1.1427169227810061
Energy: 1.2783095972745613
Energy: 1.142716922780758
Energy: 1.2485059875090427
Energy: 1.1430720940306731
Energy: 1.2765742424614366
Energy: 1.1430720940303944
Energy: 1.2464149818742287
Energy: 1.1571747972887654
Energy: 1.140203163753782
Energy: 1.1571747972893232
Energy: 1.2452632868557065
Energy: 1.1567677071341502
Energy: 1.1395660542686419
Energy: 1.1567677071341502
Energy: 1.1587862884230031
Energy: 1.1576121465517688
Energy: 1.193576894330525
Energy: 1.1576121465512421

minimum gb energy = 1.1380022609249933 eV
minimum distance =  2.23658388668732 Angstroms
sigma value = 13


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

Energy: 1.2100525527521178
Energy: 1.1120639076674086
Energy: 1.4078723913664475
Energy: 1.112063907669694
Energy: 1.1875064754409685
Energy: 1.254675011375037
Energy: 1.1589067508453585
Energy: 1.254675011375037
Energy: 1.1621595800359663
Energy: 1.0828632830524023
Energy: 1.1639452368998426
Energy: 1.0828632830524023
Energy: 1.1437038529231076
Energy: 1.1554252546971269
Energy: 1.1607725794040062
Energy: 1.1554252547051262
Energy: 1.1140640936183916
Energy: 1.091401271356256
Energy: 1.1131546431833357
Energy: 1.091401271356256
Energy: 1.217036238919417
Energy: 1.0906633445634837
Energy: 1.1479235334910045
Energy: 1.0906633445634837
Energy: 1.114179940720214
Energy: 1.0828924824673878
Energy: 1.1189664565237554
Energy: 1.0828924824673878
Energy: 1.1208833023576896
Energy: 1.112585858976586
Energy: 1.114667052498279
Energy: 1.1125858589708724
Energy: 1.1132398069504674
Energy: 1.0908934814595852
Energy: 1.1048368127852872
Energy: 1.0908934814595852
Energy: 1.2871051321351745
Energy: 1.0913341812757902
Energy: 1.1580430966979687
Energy: 1.091334181276933
Energy: 1.1600003973905695
Energy: 1.081943200841496
Energy: 1.163044773888257
Energy: 1.081943200841496
Energy: 1.1442690158992348
Energy: 1.0853887721844624
Energy: 1.1127603788101026
Energy: 1.0853887721856053
Energy: 1.1725057450893275
Energy: 1.1054308771424568
Energy: 1.190778990303231
Energy: 1.1054308771424568
Energy: 1.1940665500643095
Energy: 1.1081363417955654
Energy: 1.2847044461307944
Energy: 1.1081363417955654
Energy: 1.1597201015924286
Energy: 1.0816640428226896
Energy: 1.162038125697204
Energy: 1.0816640428226896
Energy: 1.1442689657890475
Energy: 1.0819901262423
Energy: 1.167879364519411
Energy: 1.0819901262423
Energy: 1.1726350924078819
Energy: 1.090675305407865
Energy: 1.1052156143700425
Energy: 1.090675305407865
Energy: 1.118059193884522
Energy: 1.0910440361968965
Energy: 1.1688348124081638
Energy: 1.0910440361968965
Energy: 1.114310750185201
Energy: 1.08107357522489
Energy: 1.120592362927101
Energy: 1.08107357522489
Energy: 1.1203703379957677
Energy: 1.0811472433920088
Energy: 1.114204432781829
Energy: 1.0811472433920088
Energy: 1.169008525047715
Energy: 1.0910466981419107
Energy: 1.1194869193682009
Energy: 1.091046698140768
Energy: 1.1051577336588865
Energy: 1.0906697666701333
Energy: 1.1726350924078819
Energy: 1.0906697666689904
Energy: 1.167879364519411
Energy: 1.0808639536630449
Energy: 1.1443720295557827
Energy: 1.0808639536619022
Energy: 1.1620381256960612
Energy: 1.0814832865654425
Energy: 1.1597144802294952
Energy: 1.0814832865654425
Energy: 1.284684332935476
Energy: 1.1081305208052605
Energy: 1.1940536857966921
Energy: 1.1081305208052605
Energy: 1.1907077235254184
Energy: 1.1054310414334176
Energy: 1.1725057450893275
Energy: 1.105431041432275
Energy: 1.1137112547272738
Energy: 1.0855060883193932
Energy: 1.1443383825162
Energy: 1.0855060883182506
Energy: 1.1630447738893996
Energy: 1.0819466963376285
Energy: 1.1595525903566355
Energy: 1.0819466963376285
Energy: 1.1580855312985554
Energy: 1.0911556571709131
Energy: 1.2872295217026026
Energy: 1.0911556571686276
Energy: 1.1048188472380938
Energy: 1.0909342121547538
Energy: 1.1132071342045333
Energy: 1.0909342121547538
Energy: 1.1149915893449185
Energy: 1.1128225292622538
Energy: 1.1210527468691323
Energy: 1.1128225292611107
Energy: 1.1192063658368392
Energy: 1.0828933526102789
Energy: 1.1140271357533786
Energy: 1.0828933526102789
Energy: 1.1477810379959488
Energy: 1.090661561975921
Energy: 1.2170112610428518
Energy: 1.090661561975921
Energy: 1.1131022327678937
Energy: 1.0914715267141002
Energy: 1.1140599559057347
Energy: 1.0914715267141002
Energy: 1.1608424080933273
Energy: 1.155612507169729
Energy: 1.1445586522096531
Energy: 1.155612507169729

minimum gb energy = 1.0808639536619022 eV
minimum distance =  2.25298830963673 Angstroms
sigma value = 37


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

Energy: 1.222856449614473
Energy: 1.0571397869473067
Energy: 1.3470892971720818
Energy: 1.0571397869482897
Energy: 1.2363933085835221
Energy: 1.3046793629486588
Energy: 1.1628401624278881
Energy: 1.3046793629494406
Energy: 1.1405127949652423
Energy: 1.0158356330565328
Energy: 1.1494951123204227
Energy: 1.0158356330565328
Energy: 1.181705710704378
Energy: 1.0401877346425883
Energy: 1.1627916063166792
Energy: 1.0401877346423871
Energy: 1.0930754658386541
Energy: 1.0154560648092221
Energy: 1.1344238568004346
Energy: 1.0154560648094233
Energy: 1.1822110759162885
Energy: 1.029240324564289
Energy: 1.1030866248594315
Energy: 1.029240324564669
Energy: 1.0701281775411702
Energy: 1.0161646082536242
Energy: 1.112162726514275
Energy: 1.0161646082542273
Energy: 1.1231549997748103
Energy: 1.3786850166902769
Energy: 1.140802186199931
Energy: 1.3786850166900757
Energy: 1.0693858683485506
Energy: 1.014509223556738
Energy: 1.0966334927307921
Energy: 1.0145092235565367
Energy: 1.1819663779666496
Energy: 1.029825881868444
Energy: 1.0928379145655107
Energy: 1.0298258818690245
Energy: 1.0805599279938671
Energy: 1.014281984709975
Energy: 1.1332430931430262
Energy: 1.0142819847097742
Energy: 1.0821640914365227
Energy: 1.0298297139212427
Energy: 1.246544465027162
Energy: 1.0298297139208632
Energy: 1.1409224935619455
Energy: 1.0143041624864229
Energy: 1.1403437279580833
Energy: 1.0143041624864229
Energy: 1.0733836683395184
Energy: 1.0142097521898963
Energy: 1.1396816769532443
Energy: 1.0142097521898963
Energy: 1.1833192589933679
Energy: 1.055020824241877
Energy: 1.132985455592255
Energy: 1.055020824241274
Energy: 1.1628503516096877
Energy: 1.056446202604425
Energy: 1.1319420021215512
Energy: 1.0564462026036432
Energy: 1.1405322932252464
Energy: 1.0140796547147894
Energy: 1.1398485893147579
Energy: 1.0140796547145885
Energy: 1.1393379167364002
Energy: 1.014542656947117
Energy: 1.1398164871159386
Energy: 1.014542656947318
Energy: 1.0796077337728542
Energy: 1.0139472548159922
Energy: 1.133055715899946
Energy: 1.0139472548154114
Energy: 1.082421826475544
Energy: 1.030563680343477
Energy: 1.1408831975396734
Energy: 1.030563680343477

minimum gb energy = 1.0139472548154114 eV
minimum distance =  2.24815396297753 Angstroms
sigma value = 25


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

Energy: 1.149679515000937
Energy: 0.9573506586258109
Energy: 1.2057581935782338
Energy: 0.9573506586258109
Energy: 1.0684142835844448
Energy: 1.214273512972615
Energy: 1.0227392658277459
Energy: 1.214273512972615
Energy: 1.038741585477615
Energy: 0.9390046802891119
Energy: 1.1074057005607096
Energy: 0.9390046802891119
Energy: 1.0537972957733488
Energy: 0.986877169338771
Energy: 1.1090231967827984
Energy: 0.986877169338771
Energy: 1.0436615967520866
Energy: 0.9183856541273342
Energy: 1.0190266998943858
Energy: 0.9183856541273342
Energy: 1.0539575287146472
Energy: 0.9641003653589129
Energy: 1.0592206871724075
Energy: 0.9641003653589129
Energy: 0.9919010768519382
Energy: 0.9204756718312088
Energy: 1.024279606916588
Energy: 0.9204756718312088
Energy: 1.0324137263624327
Energy: 0.924243129605977
Energy: 1.080378911974787
Energy: 0.9242431296044419
Energy: 0.9840072149212443
Energy: 0.9179654572434001
Energy: 0.9957649866735655
Energy: 0.9179654572434001
Energy: 1.0490434514522056
Energy: 1.2892230915919756
Energy: 1.0196434642399186
Energy: 1.289223091593511
Energy: 0.984164334917493
Energy: 0.9178218950109563
Energy: 0.9971251708629545
Energy: 0.9178218950109563
Energy: 1.0312313915394686
Energy: 0.9272349919012483
Energy: 1.0799125287678835
Energy: 0.9272349919012483
Energy: 0.9856014554327709
Energy: 0.9180435732406663
Energy: 1.0183949860846908
Energy: 0.9180435732406663
Energy: 1.028157978926428
Energy: 1.0246920484774045
Energy: 1.0190200295239984
Energy: 1.0246920484774045
Energy: 1.0323355287086855
Energy: 0.917863206693558
Energy: 1.0218626955171775
Energy: 0.917863206693558
Energy: 1.0463915113931257
Energy: 0.9175585450310035
Energy: 0.996006677887041
Energy: 0.9175585450310035
Energy: 1.0360462850084118
Energy: 0.9391639847179861
Energy: 1.0827883974630717
Energy: 0.9391639847179861
Energy: 0.9906582623155914
Energy: 0.9693255434877012
Energy: 1.0597235860706746
Energy: 0.9693255434892365
Energy: 1.1227122552577473
Energy: 0.9562459437647736
Energy: 1.0223135703138457
Energy: 0.9562459437663089
Energy: 1.06833119315634
Energy: 0.9562671091323992
Energy: 1.026833945241345
Energy: 0.9562671091323992
Energy: 1.036074151089304
Energy: 0.9393542897869622
Energy: 1.082568707299932
Energy: 0.9393542897869622
Energy: 1.0307351738489194
Energy: 0.9390855415675827
Energy: 1.0595034744622671
Energy: 0.9390855415675827
Energy: 1.0327010328363082
Energy: 0.9186299861435621
Energy: 1.0186432028235306
Energy: 0.9186299861435621
Energy: 1.0680180583125587
Energy: 0.919370836193138
Energy: 1.0413783708612194
Energy: 0.919370836193138
Energy: 0.9871405135395397
Energy: 0.9187241560296341
Energy: 1.018436856166857
Energy: 0.9187241560296341
Energy: 1.0367492434675372
Energy: 0.9244613442573668
Energy: 1.0187859344635815
Energy: 0.9244613442573668

minimum gb energy = 0.9175585450310035 eV
minimum distance =  2.25583672800939 Angstroms
sigma value = 41


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

Energy: 1.1174863084161324
Energy: 0.8902357166137804
Energy: 1.095282329532084
Energy: 0.8902357166125218
Energy: 0.9491042232895471
Energy: 1.0458154443209238
Energy: 0.9795698731199088
Energy: 1.0458154443284755
Energy: 0.9577701618128568
Energy: 0.8630224790203892
Energy: 1.0512950920484487
Energy: 0.8630224790203892
Energy: 0.9737655112310497
Energy: 0.921262602939245
Energy: 0.9785422893527013
Energy: 0.921262602935469
Energy: 1.0252267511186601
Energy: 0.852423812610324
Energy: 0.9367600033544418
Energy: 0.852423812610324
Energy: 0.9742319432009299
Energy: 0.9131400820227895
Energy: 0.9731940497712214
Energy: 0.913140082021531
Energy: 0.9360614970170192
Energy: 0.8409334656051191
Energy: 0.9720480831827853
Energy: 0.8409334656051191
Energy: 0.9756385421206463
Energy: 0.9157807780163648
Energy: 0.9728746127392911
Energy: 0.915780778018882
Energy: 0.9650659220473654
Energy: 0.8410061511560899
Energy: 0.9183677321848533
Energy: 0.8410061511560899
Energy: 1.0020637458957233
Energy: 0.9555340278416157
Energy: 0.9734503201996769
Energy: 0.9555340274843332
Energy: 0.9351878423030677
Energy: 0.8409238049634784
Energy: 0.92840961931737
Energy: 0.8409238049634784
Energy: 0.951079753017289
Energy: 1.2277177830477615
Energy: 0.9854287603190236
Energy: 1.22771778304902
Energy: 0.9363457676686788
Energy: 0.8410441488119994
Energy: 0.9272222456883458
Energy: 0.8410441488107406
Energy: 1.0042567360825794
Energy: 0.8482670802752046
Energy: 0.968381299230909
Energy: 0.8482670802739458
Energy: 0.9626156013754545
Energy: 0.841082880974197
Energy: 0.9171597445462406
Energy: 0.841082880974197
Energy: 0.9585364193459769
Energy: 0.9478990189808654
Energy: 1.028519076230612
Energy: 0.9478990189821239
Energy: 0.9409024401348479
Energy: 0.8410476899568532
Energy: 0.9679310669764205
Energy: 0.8410476899568532
Energy: 0.9771283754947373
Energy: 0.8410875640062984
Energy: 0.9801277309226434
Energy: 0.8410875640062984
Energy: 1.007713451043985
Energy: 0.8523764846147706
Energy: 0.9385517032347189
Energy: 0.8523764846147706
Energy: 0.9843783820552395
Energy: 0.9142652273339414
Energy: 0.9424843688456104
Energy: 0.9142652273352
Energy: 0.9554499478540895
Energy: 0.8619340960251006
Energy: 1.028989605514867
Energy: 0.8619340960263593
Energy: 0.9488155128347219
Energy: 0.9297479765713694
Energy: 0.9786778097192668
Energy: 0.9297479765713694
Energy: 1.0857492976496423
Energy: 0.889739492001818
Energy: 0.9401976785585516
Energy: 0.8897394920030766
Energy: 1.004708983498693
Energy: 0.9264014336750431
Energy: 0.9513122595815624
Energy: 0.9264014336750431
Energy: 0.9554632257696731
Energy: 0.8619920346479116
Energy: 1.0290885918660757
Energy: 0.8619920346479116
Energy: 0.9770115497631126
Energy: 0.9037257849101146
Energy: 0.9787953713423431
Energy: 0.9037257849088559
Energy: 1.007620291786027
Energy: 0.8524975405631621
Energy: 0.9405317737684704
Energy: 0.8524975405631621
Energy: 0.9853362055748838
Energy: 0.8516276871565884
Energy: 0.9790041739216923
Energy: 0.8516276871553298
Energy: 0.9381140254051826
Energy: 0.8411750286395087
Energy: 0.9679952469325218
Energy: 0.8411750286395087
Energy: 0.974519564922416
Energy: 0.8407282214074586
Energy: 0.9760818862379946
Energy: 0.8407282214074586
Energy: 0.9633686501106185
Energy: 0.8410394610268966
Energy: 0.9200052732571223
Energy: 0.8410394610256381
Energy: 0.9589545337038204
Energy: 0.8451700998696358
Energy: 0.9631273392574797
Energy: 0.8451700998708945

minimum gb energy = 0.8407282214074586 eV
minimum distance =  2.25886945779174 Angstroms
sigma value = 15


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

Energy: 1.0510541852032862
Energy: 0.8257600017778355
Energy: 1.0498612661181708
Energy: 0.8257600017778355
Energy: 0.9221287551848824
Energy: 0.9672671791596522
Energy: 0.9059822324746319
Energy: 0.9672671791617846
Energy: 0.8905285850145052
Energy: 0.8125730109461463
Energy: 0.9962648809496151
Energy: 0.8125730109461463
Energy: 0.9165537990474296
Energy: 0.8540710393103722
Energy: 0.9065718847623182
Energy: 0.8540710393114384
Energy: 0.9749013874562065
Energy: 0.794740823320278
Energy: 0.8720681706371322
Energy: 0.794740823320278
Energy: 0.9168899195335586
Energy: 0.8501866072609919
Energy: 0.9084348590843652
Energy: 0.8501866072620582
Energy: 0.8662911575223927
Energy: 0.7870990470736101
Energy: 0.9424619244616302
Energy: 0.7870990470736101
Energy: 0.909251571936043
Energy: 0.8460199154905572
Energy: 0.9085575794608833
Energy: 0.8460199154916236
Energy: 0.9187616942237585
Energy: 0.7787826165169799
Energy: 0.857413620895148
Energy: 0.7787826165169799
Energy: 0.9094873631858109
Energy: 0.8527092199814128
Energy: 0.9108454055693282
Energy: 0.8527092199803464
Energy: 0.8650571228387055
Energy: 0.7784338681363863
Energy: 0.8950068433175483
Energy: 0.7784338681374525
Energy: 0.9096253138070576
Energy: 0.9020892497978944
Energy: 0.9381570133367914
Energy: 0.9020892431996732
Energy: 0.8825691282298687
Energy: 0.7801132191548854
Energy: 0.8690060262377798
Energy: 0.7801132191548854
Energy: 0.9225897995386633
Energy: 0.7929835618153859
Energy: 0.8971573909213585
Energy: 0.7929835618153859
Energy: 0.8820806604834428
Energy: 0.7789087224161975
Energy: 0.8682329530037073
Energy: 0.7789087224161975
Energy: 0.9115966284288144
Energy: 0.7978684578258617
Energy: 0.9436688431301237
Energy: 0.7978684578258617
Energy: 0.8663299238541777
Energy: 0.7790684189515203
Energy: 0.8936878789498349
Energy: 0.7790684189515203
Energy: 0.9510097342867637
Energy: 0.8861106405510388
Energy: 0.9064049683261421
Energy: 0.8861106405659663
Energy: 0.918203298401156
Energy: 0.7789070507284007
Energy: 0.8593795730008673
Energy: 0.7789070507273345
Energy: 0.9127117687159476
Energy: 0.7920955986111727
Energy: 0.9059749630356007
Energy: 0.7920955986101065
Energy: 0.8692855094568632
Energy: 0.7855812544056473
Energy: 0.9222391984159312
Energy: 0.7855812544056473
Energy: 0.9069091536908885
Energy: 0.8453039859722152
Energy: 0.9267238703764457
Energy: 0.8453039859732815
Energy: 0.9620937624339141
Energy: 0.7949957478521933
Energy: 0.8730202213386917
Energy: 0.7949957478521933
Energy: 0.911003437951918
Energy: 0.8521155701186706
Energy: 0.8876948249955985
Energy: 0.8521155701186706
Energy: 0.889290780183518
Energy: 0.8117133674458942
Energy: 0.9746930544294636
Energy: 0.8117133674458942
Energy: 0.8839074267832101
Energy: 0.8618168168608492
Energy: 0.9281173737557411
Energy: 0.8618168168608492
Energy: 1.0240049577922927
Energy: 0.8241396007923206
Energy: 0.8749627280909652
Energy: 0.8241396007912544
Energy: 0.922120755399557
Energy: 0.8667716134915695
Energy: 0.8833134194959971
Energy: 0.8667716134915695
Energy: 0.8954684265760583
Energy: 0.8108284709256086
Energy: 0.9757350313286672
Energy: 0.8108284709266749
Energy: 0.9055520489623282
Energy: 0.8523667709321933
Energy: 0.9281807103767595
Energy: 0.8523667709300607
Energy: 0.9619332298223725
Energy: 0.7948012848074971
Energy: 0.8745762686086863
Energy: 0.7948012848074971
Energy: 0.9110092965211293
Energy: 0.84797029160693
Energy: 0.9060751880457346
Energy: 0.8479702916047976
Energy: 0.8677731964130648
Energy: 0.7856357461998342
Energy: 0.9222181472802177
Energy: 0.7856357461998342
Energy: 0.9071808734257019
Energy: 0.7864170389175769
Energy: 0.920312185994068
Energy: 0.7864170389175769
Energy: 0.9182104072441989
Energy: 0.7784741868448316
Energy: 0.8642786287092995
Energy: 0.7784741868448316
Energy: 0.9128533330472045
Energy: 0.7894967650963499
Energy: 0.9097591936554592
Energy: 0.7894967650963499
Energy: 0.8643988800546428
Energy: 0.7784974751471206
Energy: 0.8935643723410944
Energy: 0.778497475148187

minimum gb energy = 0.7784338681363863 eV
minimum distance =  2.26183418033402 Angstroms
sigma value = 85


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

Energy: 1.045217832051826
Energy: 0.7864351780541035
Energy: 0.8925746150011574
Energy: 0.7864351780550283
Energy: 0.8114650924422442
Energy: 0.9156246618798187
Energy: 0.8465088521637014
Energy: 0.9156246618807434
Energy: 0.794524464682395
Energy: 0.7808947806596419
Energy: 1.0046409968185506
Energy: 0.7808947806596419
Energy: 0.8336522365609611
Energy: 0.7673341006305204
Energy: 0.8561859601821113
Energy: 0.7673341006305204
Energy: 0.9584698437054557
Energy: 0.7439213652073885
Energy: 0.7862085440848938
Energy: 0.7439213652073885
Energy: 0.833404256600736
Energy: 0.7635578434504051
Energy: 0.8448348934349397
Energy: 0.7635578434504051
Energy: 0.7896134860748671
Energy: 0.7430603940943002
Energy: 0.9262708767623278
Energy: 0.7430603940952251
Energy: 0.834662385576087
Energy: 0.8129437391889892
Energy: 0.8450097245001853
Energy: 0.8129437391899141
Energy: 0.8917673052030887
Energy: 0.7208548264526862
Energy: 0.8049598307855959
Energy: 0.7208548264526862
Energy: 0.8346904433758365
Energy: 0.7780289754388473
Energy: 0.84878667277388
Energy: 0.7780289754388473
Energy: 0.779689467204738
Energy: 0.7205331433167945
Energy: 0.866339554254844
Energy: 0.7205331433167945
Energy: 0.8495518761422746
Energy: 0.7930244078797128
Energy: 0.8489622072695948
Energy: 0.7930244078787881
Energy: 0.8360061144735158
Energy: 0.7198770399217164
Energy: 0.8030698181590433
Energy: 0.7198770399217164
Energy: 0.8766535088461168
Energy: 0.7335739788151731
Energy: 0.8489427097522377
Energy: 0.7335739788151731
Energy: 0.7940230593581982
Energy: 0.7207486826513314
Energy: 0.8249250790678871
Energy: 0.7207486826513314
Energy: 0.8394946115996211
Energy: 0.7319303290683449
Energy: 0.8576369396488301
Energy: 0.7319303290683449
Energy: 0.7979567790720575
Energy: 0.7207527952140712
Energy: 0.8206218378144137
Energy: 0.7207527952140712
Energy: 0.8781296560980809
Energy: 0.9158075363489264
Energy: 0.8481336077491839
Energy: 0.9158075363498512
Energy: 0.8282656432768146
Energy: 0.7204601251503097
Energy: 0.8040198053181479
Energy: 0.7204601251503097
Energy: 0.8519207137518127
Energy: 0.8283005997527056
Energy: 0.8783914805311861
Energy: 0.8283005997138659
Energy: 0.7769745576330785
Energy: 0.720537185165189
Energy: 0.857928968988975
Energy: 0.720537185165189
Energy: 0.8347336322435911
Energy: 0.7145259654618344
Energy: 0.8472699358601601
Energy: 0.7145259654627591
Energy: 0.8696515770727113
Energy: 0.7192891793905707
Energy: 0.8089423743351235
Energy: 0.7192891793905707
Energy: 0.8577633722830991
Energy: 0.776415570345013
Energy: 0.8235606000916013
Energy: 0.7764155703440884
Energy: 0.7910952023417216
Energy: 0.7424853154895422
Energy: 0.9061495330146395
Energy: 0.7424853154886174
Energy: 0.8335743429999587
Energy: 0.8209070495781207
Energy: 0.8448496277401446
Energy: 0.8209070495781207
Energy: 0.9232017582635432
Energy: 0.7434626493402995
Energy: 0.7870713922287065
Energy: 0.7434626493412242
Energy: 0.8672933387625404
Energy: 0.7776631677054805
Energy: 0.7922824647669515
Energy: 0.7776631677064054
Energy: 0.7937685122791908
Energy: 0.7813012130182957
Energy: 0.9629989255011936
Energy: 0.7813012130182957
Energy: 0.8115245779669409
Energy: 0.769732603464962
Energy: 0.8468006118922022
Energy: 0.769732603464962
Energy: 0.9619201379343235
Energy: 0.7865908469734273
Energy: 0.7884797455099023
Energy: 0.7865908469734273
Energy: 0.8800237453277738
Energy: 0.7899981111750827
Energy: 0.7921976951272349
Energy: 0.7899981111741579
Energy: 0.7936874696970281
Energy: 0.7811841479751032
Energy: 0.9629910971690102
Energy: 0.7811841479751032
Energy: 0.8334341307515508
Energy: 0.7673803759051422
Energy: 0.8477002085952643
Energy: 0.7673803759051422
Energy: 0.9230356678189131
Energy: 0.7440897036082088
Energy: 0.7883064550345062
Energy: 0.7440897036082088
Energy: 0.8672195641210161
Energy: 0.776479712391461
Energy: 0.8233468658486656
Energy: 0.7764797123923857
Energy: 0.7907470196343049
Energy: 0.7424799925579116
Energy: 0.9061578246949282
Energy: 0.7424799925579116
Energy: 0.8345841426065725
Energy: 0.7108255393294767
Energy: 0.8449058390538928
Energy: 0.7108255393304015
Energy: 0.8696832001222422
Energy: 0.7194551398896604
Energy: 0.8040173498414885
Energy: 0.7194551398905852
Energy: 0.8580856842075454
Energy: 0.7096810452518135
Energy: 0.8371445304690133
Energy: 0.7096810452536628
Energy: 0.7795134911644201
Energy: 0.7195866451220952
Energy: 0.8580659869611544
Energy: 0.7195866451220952
Energy: 0.8493567463787013
Energy: 0.7144864675540568
Energy: 0.8476183970907266
Energy: 0.714486467553132
Energy: 0.8283560306047287
Energy: 0.7097808380947764
Energy: 0.803847872328787
Energy: 0.7097808380947764

minimum gb energy = 0.7096810452518135 eV
minimum distance =  2.26534832306249 Angstroms
sigma value = 113


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

Energy: 0.014075437028081497
Energy: 0.014177261747985162
Energy: 1.3931510092515174
Energy: 0.014177261747985162
Energy: 0.015235815405744443
Energy: 0.665715280902167
Energy: 0.015235815405744443
Energy: 0.665715280902167
Energy: 1.3783957508354938
Energy: 0.014177261747985162
Energy: 0.014075437028081497
Energy: 0.014177261747985162
Energy: 0.015235815405744443
Energy: 0.6657152809028779
Energy: 0.015235815405744443
Energy: 0.665715280902167
Energy: 0.014075437028081497
Energy: 0.014177261747985162
Energy: 1.393151009250846
Energy: 0.014177261747985162
Energy: 0.015235815405744443
Energy: 0.6657152809028779
Energy: 0.015235815405744443
Energy: 0.665715280902167

minimum gb energy = 0.014075437028081497 eV
minimum distance =  2.41049177252133 Angstroms
sigma value = 1