Model name: model_name=EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_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=3.498696342110634
cohesive_energy=4.116955210479424
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: 0.016990662259634127
Energy: 0.017290176554219792
Energy: 0.013774738055620375
Energy: 0.017290176554219792
Energy: 0.01729017655355018
Energy: 1.0418112314172223
Energy: 0.01729017655355018
Energy: 1.0418112314172223
Energy: 0.013774738055620375
Energy: 0.01729017655355018
Energy: 0.016990662259634127
Energy: 0.017290176554219792
Energy: 0.017290176554219792
Energy: 1.0418112314172223
Energy: 0.017290176554219792
Energy: 1.0418112314172223

minimum gb energy = 0.013774738055620375 eV
minimum distance =  2.4198229012061 Angstroms
sigma value = 1


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

Energy: 1.1894604342137516
Energy: 1.3251135033369714
Energy: 1.1537186504578558
Energy: 1.3251135033361594
Energy: 1.125090860260699
Energy: 1.380968377922929
Energy: 1.0757536220969937
Energy: 1.380968377922117
Energy: 0.9891207892521373
Energy: 1.2882874328250542
Energy: 1.1714851131141037
Energy: 1.2882874328250542
Energy: 1.1637104413881525
Energy: 1.3297975641722601
Energy: 1.0716462796065238
Energy: 1.3297975641730724
Energy: 1.1594540824674746
Energy: 1.3032263779703137
Energy: 1.1138399276088884
Energy: 1.3032263779703137
Energy: 1.077739376300821
Energy: 1.2534611086563539
Energy: 1.050214641905075
Energy: 1.253461108657166
Energy: 1.125170158199302
Energy: 1.3116058313069874
Energy: 1.0224686077012788
Energy: 1.3116058313069874
Energy: 0.9610239503334221
Energy: 1.3049536521273637
Energy: 1.0450766408281837
Energy: 1.3049536521281757
Energy: 1.071687248934612
Energy: 1.2254880435732447
Energy: 1.0455790706619201
Energy: 1.2254880435740567
Energy: 1.0466570682862284
Energy: 1.2666130569672647
Energy: 0.9504338411819071
Energy: 1.266613056968077
Energy: 1.044712872708484
Energy: 1.236195370118902
Energy: 1.0774402158842948
Energy: 1.2361953701180899
Energy: 1.1126087654780974
Energy: 1.3053273917756982
Energy: 1.0577273599065184
Energy: 1.3053273917756982
Energy: 1.0767247055796871
Energy: 1.3413801231349372
Energy: 1.1241893758389248
Energy: 1.3413801231349372
Energy: 1.171769595431613
Energy: 1.2937619003328293
Energy: 1.1118039450683048
Energy: 1.2937619003336416
Energy: 1.1120992963306806
Energy: 1.3463426009980564
Energy: 1.172855460224434
Energy: 1.3463426009988684
Energy: 1.109505971347189
Energy: 1.3791342151045225
Energy: 1.0761115568785211
Energy: 1.3791342151045225
Energy: 1.1715881236267507
Energy: 1.3089882446711774
Energy: 1.0032887236360184
Energy: 1.3089882446711774
Energy: 1.065027991937021
Energy: 1.342609149785446
Energy: 1.1252890375618247
Energy: 1.342609149785446
Energy: 0.950035981670961
Energy: 1.305053013671287
Energy: 1.0565946176729268
Energy: 1.3050530136704748
Energy: 1.0754063900739192
Energy: 1.0791810891071647
Energy: 1.0766784168622454
Energy: 1.0791810891055404
Energy: 1.0497139394968078
Energy: 1.2726779477351673
Energy: 0.9740511344203426
Energy: 1.272677947734355
Energy: 1.06835306974888
Energy: 1.334998474643143
Energy: 1.106606224308961
Energy: 1.334998474644767
Energy: 1.1604526407081686
Energy: 1.325370043333666
Energy: 1.0551086149612086
Energy: 1.3253700433344782
Energy: 1.0496156332218467
Energy: 1.3132168423690054
Energy: 1.0705635572200232
Energy: 1.3132168423690054
Energy: 1.0278863302047154
Energy: 1.284250009228899
Energy: 1.1249805823018364
Energy: 1.284250009228899
Energy: 1.156658019855471
Energy: 1.3072809301815482
Energy: 1.005354412930562
Energy: 1.3072809301823602
Energy: 1.1130783332616672
Energy: 1.303934346444087
Energy: 1.071119876210387
Energy: 1.303934346443275
Energy: 0.9918823158694582
Energy: 1.2660212912265711
Energy: 1.1695256315516063
Energy: 1.266021291225759
Energy: 1.1265019626586592
Energy: 1.3043206810639665
Energy: 1.1040820743210427
Energy: 1.3043206810631542
Energy: 1.1863909469070593
Energy: 1.30489856614056
Energy: 1.0897280006187957
Energy: 1.30489856614056
Energy: 1.131003843643743
Energy: 1.364909664717561
Energy: 1.1278363486978287
Energy: 1.3649096647183732
Energy: 1.0516862411303713
Energy: 1.307078266986173
Energy: 1.171711557987641
Energy: 1.3070782669853607
Energy: 1.158825086381784
Energy: 1.3029308856291062
Energy: 1.0658895698512345
Energy: 1.302930885628294

minimum gb energy = 0.950035981670961 eV
minimum distance =  2.22216307170569 Angstroms
sigma value = 1


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

Energy: 1.322399145686343
Energy: 1.4263919762794408
Energy: 1.2378935048842326
Energy: 1.4263919762822186
Energy: 1.1226614939346082
Energy: 1.4120569777471286
Energy: 1.1152429918540467
Energy: 1.412056977744351
Energy: 1.0491173595637362
Energy: 1.3727109735494496
Energy: 1.2445586026831477
Energy: 1.3727109735503757
Energy: 1.1257766729713952
Energy: 1.3018234449298267
Energy: 1.069590226114416
Energy: 1.3018234449298267
Energy: 1.126127530708071
Energy: 1.37581084779141
Energy: 1.0976911238026086
Energy: 1.375810847793262
Energy: 1.203877414194406
Energy: 1.3791726357090552
Energy: 1.1418768764708025
Energy: 1.3791726357044258
Energy: 1.1365129173823854
Energy: 1.2576110423341045
Energy: 1.066281180387946
Energy: 1.2576110423331783
Energy: 1.006948012275382
Energy: 1.4125868844667162
Energy: 1.118707528535653
Energy: 1.4125868844667162
Energy: 1.1332928549876513
Energy: 1.1728217579483589
Energy: 1.1156586439967653
Energy: 1.1728217579520623
Energy: 1.1281055843420238
Energy: 1.4042227319673208
Energy: 1.0100225940816587
Energy: 1.4042227319691727
Energy: 1.137777701857222
Energy: 1.3831740318131927
Energy: 1.1165093742752956
Energy: 1.3831740318131927
Energy: 1.072244240522289
Energy: 1.4024060713810873
Energy: 1.2204682009011267
Energy: 1.4024060713810873
Energy: 1.263952334359994
Energy: 1.4121887831989033
Energy: 1.1167399650867305
Energy: 1.412188783200755
Energy: 1.2641011829648017
Energy: 1.4121519275343888
Energy: 1.0637896443235821
Energy: 1.4121519275362409
Energy: 1.072101343206703
Energy: 1.4021256264557682
Energy: 1.24451052659064
Energy: 1.4021256264566944
Energy: 1.144221174656371
Energy: 1.3826572194550208
Energy: 1.1160340227952297
Energy: 1.382657219453169
Energy: 1.1278397821205286
Energy: 1.4041143686804154
Energy: 1.0394203325374254
Energy: 1.4041143686804154
Energy: 1.1328675722188155
Energy: 1.1728552252127908
Energy: 1.1155587248386585
Energy: 1.1728552252146427
Energy: 1.006735945392825
Energy: 1.4130722594635998
Energy: 1.0942341539773186
Energy: 1.4130722594645257
Energy: 1.1351859559118687
Energy: 1.2575570290923717
Energy: 1.0802202016140132
Energy: 1.257557029086816
Energy: 1.203248723600681
Energy: 1.3784600654132835
Energy: 1.0700524652743368
Energy: 1.3784600654151353
Energy: 1.1247346297500573
Energy: 1.3756830490359393
Energy: 1.1187065313944098
Energy: 1.3756830490368652
Energy: 1.1250995269588275
Energy: 1.3017921183500012
Energy: 1.0697678207335037
Energy: 1.3017921183472232
Energy: 1.0486350779884506
Energy: 1.372059764943182
Energy: 1.2445606265362015
Energy: 1.3720597649385522
Energy: 1.1227413027760218
Energy: 1.4120145751466044
Energy: 1.1152047613497755
Energy: 1.4120145751429005
Energy: 1.322399145686343
Energy: 1.4263919762794408
Energy: 1.172148195843933
Energy: 1.4263919762812929
Energy: 1.1226614939346082
Energy: 1.4120569777471286
Energy: 1.1152429918540467
Energy: 1.412056977744351
Energy: 1.0491173595646623
Energy: 1.3727109735494496
Energy: 1.1955525563481237
Energy: 1.3727109735503757
Energy: 1.1257766730223213
Energy: 1.3018234449298267
Energy: 1.0855822673242084
Energy: 1.3018234449298267

minimum gb energy = 1.006735945392825 eV
minimum distance =  2.22612797712598 Angstroms
sigma value = 25


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

Energy: 1.3055888075055488
Energy: 1.4358109663376324
Energy: 1.3385401554176317
Energy: 1.435810966336556
Energy: 1.2069066299689837
Energy: 1.4396758434195305
Energy: 1.2460944435631616
Energy: 1.4396758434216834
Energy: 1.1124994354208877
Energy: 1.4882924042378916
Energy: 1.2530149500302723
Energy: 1.4882924042378916
Energy: 1.235834669604609
Energy: 1.3744441812943844
Energy: 1.1289978320481995
Energy: 1.3744441812954609
Energy: 1.2352065414547841
Energy: 1.460011353673748
Energy: 1.2070417117591559
Energy: 1.4600113536726718
Energy: 1.2989875251556702
Energy: 1.473370272813975
Energy: 1.2368583045470352
Energy: 1.4733702728150513
Energy: 1.222100571459083
Energy: 1.366778588960429
Energy: 1.1939370717675293
Energy: 1.366778588960429
Energy: 1.2854480849411167
Energy: 1.4547196504128286
Energy: 1.1296788407605352
Energy: 1.4547196504117523
Energy: 1.2037025896083728
Energy: 1.3709823049549772
Energy: 1.2151638776291072
Energy: 1.3709823049560537
Energy: 1.2579847876480772
Energy: 1.4863651901432313
Energy: 1.2131956632830585
Energy: 1.4863651901421548
Energy: 1.1873657221317127
Energy: 1.4719630961660417
Energy: 1.2848274308056709
Energy: 1.4719630961649655
Energy: 1.1290624857808405
Energy: 1.4864007415808504
Energy: 1.3437022095832918
Energy: 1.4864007415819267
Energy: 1.2525206043159296
Energy: 1.4714202315625498
Energy: 1.1294431281384616
Energy: 1.471420231560397
Energy: 1.2052248629161064
Energy: 1.3858853806745888
Energy: 1.1934430746844495
Energy: 1.3858853806724363
Energy: 1.1090449024730664
Energy: 1.4442268756355752
Energy: 1.1265367193292128
Energy: 1.444226875634499
Energy: 1.2075709417713396
Energy: 1.219772009642938
Energy: 1.1943881845892352
Energy: 1.219772009631098
Energy: 1.1108500753594885
Energy: 1.4813084554765052
Energy: 1.1115440851448855
Energy: 1.4813084554743527
Energy: 1.1584600649572072
Energy: 1.4552046623881651
Energy: 1.2076429767731538
Energy: 1.4552046623870891
Energy: 1.2356215609182255
Energy: 1.491513565770551
Energy: 1.2145014725192855
Energy: 1.4915135657716274
Energy: 1.2183637178975508
Energy: 1.4846168546270093
Energy: 1.256348059540202
Energy: 1.4846168546259326
Energy: 1.2163445175052099
Energy: 1.3256536520410958
Energy: 1.250866090013248
Energy: 1.3256536520400193
Energy: 1.2887373167394232
Energy: 1.4836892561893946
Energy: 1.289625373227416
Energy: 1.4836892561904709
Energy: 1.2043315335240032
Energy: 1.4222410812907036
Energy: 1.3202426573976214
Energy: 1.42224108129178
Energy: 1.105674263113111
Energy: 1.4905661510412689
Energy: 1.257727811132646
Energy: 1.4905661510412689
Energy: 1.3259176453090062
Energy: 1.3741164951499445
Energy: 1.130983256617701
Energy: 1.3741164951520481

minimum gb energy = 1.105674263113111 eV
minimum distance =  2.24573742017789 Angstroms
sigma value = 9


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

Energy: 1.314402667467211
Energy: 1.5478496862568576
Energy: 1.437268549794926
Energy: 1.5478496862581417
Energy: 1.250956964581518
Energy: 1.4564757266054
Energy: 1.3140490957965936
Energy: 1.456475726601577
Energy: 1.1758462946876775
Energy: 1.449452564036601
Energy: 1.274564471576095
Energy: 1.4494525640404528
Energy: 1.2927502435777771
Energy: 1.553719998652959
Energy: 1.1714593141065457
Energy: 1.5537199986542432
Energy: 1.426832496180187
Energy: 1.462678326081315
Energy: 1.3107487370273845
Energy: 1.4626783260825988
Energy: 1.1428864548717805
Energy: 1.2899226887018655
Energy: 1.2034816192442799
Energy: 1.2899226887018655
Energy: 1.3239471156795126
Energy: 1.1718468366226504
Energy: 1.174846910033357
Energy: 1.1718468366201114
Energy: 1.3009194331847338
Energy: 1.2912314389938657
Energy: 1.1605330018654956
Energy: 1.2912314389964341
Energy: 1.3552214539393335
Energy: 1.4624362273159521
Energy: 1.3146664864723998
Energy: 1.4624362273172362
Energy: 1.293958166593149
Energy: 1.3234769326038653
Energy: 1.2001148682408216
Energy: 1.3234769326025813
Energy: 1.2418454584133969
Energy: 1.4909638305527535
Energy: 1.2740943455887193
Energy: 1.4909638305527535
Energy: 1.334020635721994
Energy: 1.447541567545743
Energy: 1.1714509872773917
Energy: 1.4475415675303345
Energy: 1.142988879422624
Energy: 1.4453715427489895
Energy: 1.141406697438756
Energy: 1.4453715427489895
Energy: 1.2241321205988998
Energy: 1.3618679686730693
Energy: 1.3433709388683204
Energy: 1.3618679686730693
Energy: 1.14300705912189
Energy: 1.4455673401249
Energy: 1.1413332636187612
Energy: 1.4455673401261842
Energy: 1.3339179539427803
Energy: 1.4469924368276632
Energy: 1.1712548451180886
Energy: 1.4469924368263793
Energy: 1.2419695430421789
Energy: 1.491090708969716
Energy: 1.27406138453782
Energy: 1.491090708971
Energy: 1.2939387450519255
Energy: 1.3229912465117473
Energy: 1.2005411044384129
Energy: 1.3229912465104632
Energy: 1.3552660104118426
Energy: 1.457820867590532
Energy: 1.3149767262547303
Energy: 1.457820867589248
Energy: 1.3009186901708352
Energy: 1.2911398366830737
Energy: 1.1606447763436036
Energy: 1.291139836699737
Energy: 1.3236795195338815
Energy: 1.1721135730866474
Energy: 1.174352020993181
Energy: 1.1721135730879315

minimum gb energy = 1.1413332636187612 eV
minimum distance =  2.32288492819405 Angstroms
sigma value = 25


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

Energy: 1.2191595100980395
Energy: 1.538309222806191
Energy: 1.586240216458711
Energy: 1.538309222806191
Energy: 1.2026964573608072
Energy: 1.4167725076027695
Energy: 1.274411708463071
Energy: 1.4167725076043574
Energy: 1.1905666210278867
Energy: 1.4757843728277957
Energy: 1.1895641156923618
Energy: 1.4757843728293836
Energy: 1.2181826878598179
Energy: 1.400698812458688
Energy: 1.4606419283985914
Energy: 1.400698812458688
Energy: 1.38854723505343
Energy: 1.402800675109429
Energy: 1.3178218240809987
Energy: 1.402800675109429
Energy: 1.1926882504751697
Energy: 1.5812344630133246
Energy: 1.1931510945143122
Energy: 1.5812344630133246
Energy: 1.3340515368643004
Energy: 1.363455845627431
Energy: 1.1902594347073392
Energy: 1.363455845627431
Energy: 1.4403560231771837
Energy: 1.5529703618172757
Energy: 1.2169851749645757
Energy: 1.5529703618172757
Energy: 1.1892543924442007
Energy: 1.3961362886860635
Energy: 1.2042676577401568
Energy: 1.3961362886892394
Energy: 1.4920235263336483
Energy: 1.4241634566135177
Energy: 1.1985460735045492
Energy: 1.4241634566151056
Energy: 1.2523920357075113
Energy: 1.478519702370937
Energy: 1.558467496539069
Energy: 1.478519702372525
Energy: 1.3317704765057843
Energy: 1.2840338516777203
Energy: 1.423519352196877
Energy: 1.2840338516856602
Energy: 1.4098018127692644
Energy: 1.5714295406314842
Energy: 1.189885924683766
Energy: 1.5714295406314842
Energy: 1.3317541415103742
Energy: 1.4932192808198583
Energy: 1.2194587192007311
Energy: 1.4932192808198583
Energy: 1.277249424636621
Energy: 1.4663510449453723
Energy: 1.3865521877391112
Energy: 1.4663510449453723
Energy: 1.2680134835093055
Energy: 1.4121545045039363
Energy: 1.1933267038280153
Energy: 1.4121044046255402
Energy: 1.2721789067533034
Energy: 1.3041720774457155
Energy: 1.4245558759192336
Energy: 1.3041720774457155

minimum gb energy = 1.1892543924442007 eV
minimum distance =  2.32444181578129 Angstroms
sigma value = 17


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

Energy: 1.335002573561336
Energy: 1.3323226439864013
Energy: 1.651646790697248
Energy: 1.3323226439864013
Energy: 1.398436422673438
Energy: 1.2848895661239497
Energy: 1.2580136188259012
Energy: 1.2848895661239497
Energy: 1.3821665622691268
Energy: 1.4565714157947098
Energy: 1.1996287900347273
Energy: 1.4565714157938108
Energy: 1.2011757366737978
Energy: 1.5065058562184628
Energy: 1.3614955425059594
Energy: 1.5065058562193623
Energy: 1.4203600341998481
Energy: 1.400331798515134
Energy: 1.2850906361261942
Energy: 1.4003317985142347
Energy: 1.2003265093092947
Energy: 1.4968600439385769
Energy: 1.393030031578704
Energy: 1.4968600439385769
Energy: 1.2133165137671598
Energy: 1.4089996985489195
Energy: 1.2884897265671478
Energy: 1.4089996985489195
Energy: 1.371563243971231
Energy: 1.500582855286124
Energy: 1.2098076510416298
Energy: 1.5005828552852245
Energy: 1.2025687312160969
Energy: 1.4577301834169432
Energy: 1.4466536965897796
Energy: 1.4577301834151444
Energy: 1.5550247641641939
Energy: 1.3007702877460612
Energy: 1.215636197227087
Energy: 1.3007702877316716
Energy: 1.2039864298873384
Energy: 1.4502713559066867
Energy: 1.3843182159394531
Energy: 1.4502713559066867
Energy: 1.2295121332726495
Energy: 1.335772551472158
Energy: 1.2301388999988547
Energy: 1.335772551472158
Energy: 1.3944712153438423
Energy: 1.4454856718131017
Energy: 1.3326996066450905
Energy: 1.4454856718175983
Energy: 1.216441960375642
Energy: 1.511403414294274
Energy: 1.4136398883902508
Energy: 1.5114034142933745
Energy: 1.3848381433331218
Energy: 1.3391070271300136
Energy: 1.2156398060017517
Energy: 1.3391070271318124
Energy: 1.4016220715272645
Energy: 1.3270457892918603
Energy: 1.3785514530301555
Energy: 1.327045789296357
Energy: 1.2909839116047215
Energy: 1.3505268660765708
Energy: 1.523482613272512
Energy: 1.3505268660765708
Energy: 1.4113002506576806
Energy: 1.3060638791696346
Energy: 1.1999480524894988
Energy: 1.306063879167836
Energy: 1.2972219319257197
Energy: 1.4176887406646264
Energy: 1.3494402606770912
Energy: 1.4176887406646264
Energy: 1.293258970434207
Energy: 1.507514350639855
Energy: 1.2119391384511855
Energy: 1.5075143506407542
Energy: 1.3081323247763472
Energy: 1.4538103813198169
Energy: 1.382176752517587
Energy: 1.4538103813198169
Energy: 1.2926458761870498
Energy: 1.4697285777702138
Energy: 1.5340163649732186
Energy: 1.4697285777585223
Energy: 1.4316665863308045
Energy: 1.3282770450742492
Energy: 1.1889952444480307
Energy: 1.3282770450742492
Energy: 1.303678784366699
Energy: 1.383879609415574
Energy: 1.3917080672758972
Energy: 1.3838796094146748
Energy: 1.3069933215968457
Energy: 1.4893625524139904
Energy: 1.3888258703289689
Energy: 1.48936255241489
Energy: 1.4724078399338023
Energy: 1.3288659268359737
Energy: 1.201254492777473
Energy: 1.3288659268359737
Energy: 1.2623958089481029
Energy: 1.496480472848055
Energy: 1.5918419861828788
Energy: 1.496480472848055
Energy: 1.4020067111389782
Energy: 1.4929562064926825
Energy: 1.383709974388041
Energy: 1.4929562064926825
Energy: 1.5248812930270466
Energy: 1.5023143439267137
Energy: 1.2135199386237205
Energy: 1.5023143439267137
Energy: 1.2109594230497258
Energy: 1.4186369530110372
Energy: 1.4064600621531367
Energy: 1.418636953010138

minimum gb energy = 1.1889952444480307 eV
minimum distance =  2.2235658614255 Angstroms
sigma value = 53


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

Energy: 1.1974472586596585
Energy: 1.1957642096346335
Energy: 1.621110686569974
Energy: 1.1957642096367038
Energy: 1.4467770217483829
Energy: 1.284008202334642
Energy: 1.2534400122433191
Energy: 1.284008202334642
Energy: 1.1877597130349002
Energy: 1.1833632910736445
Energy: 1.1878230448316007
Energy: 1.183363291075715
Energy: 1.1880227228790305
Energy: 1.1834217001398102
Energy: 1.1868899259963186
Energy: 1.1834217001439509
Energy: 1.4467413295534777
Energy: 1.283797501707623
Energy: 1.2589307596518156
Energy: 1.283797501707623
Energy: 1.1974472586596585
Energy: 1.1957642096325634
Energy: 1.5399290930345464
Energy: 1.1957642096367038
Energy: 1.4467770217483829
Energy: 1.284008202334642
Energy: 1.4113327979019268
Energy: 1.284008202334642
Energy: 1.1877597130349002
Energy: 1.1833632910736445
Energy: 1.248126682866615
Energy: 1.183363291075715
Energy: 1.1880227228790305
Energy: 1.1834217001418805
Energy: 1.292974973474488
Energy: 1.1834217001418805
Energy: 1.4467413295514069
Energy: 1.283797501707623
Energy: 1.4194159076513106
Energy: 1.283797501707623
Energy: 1.1974472586596585
Energy: 1.1957642096346335
Energy: 1.4766534146251786
Energy: 1.1957642096367038
Energy: 1.4467770217483829
Energy: 1.284008202334642
Energy: 1.4113327979019268
Energy: 1.284008202334642
Energy: 1.1877597130349002
Energy: 1.183363291075715
Energy: 1.4097959980757493
Energy: 1.183363291075715

minimum gb energy = 1.1833632910736445 eV
minimum distance =  2.28608609396714 Angstroms
sigma value = 9


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

Energy: 1.2859223121314045
Energy: 1.6545954443094115
Energy: 1.7005048745081341
Energy: 1.6545954443086452
Energy: 1.445956222847476
Energy: 1.3244969751594502
Energy: 1.2656534557999404
Energy: 1.3244969751594502
Energy: 1.2584763791068356
Energy: 1.2745104682154789
Energy: 1.2684031275504972
Energy: 1.2745104682139463
Energy: 1.3686705015849252
Energy: 1.5727197969659088
Energy: 1.256972903182099
Energy: 1.5727197969659088
Energy: 1.4388942870774972
Energy: 1.3432396597889997
Energy: 1.257138274848525
Energy: 1.3432396597889997
Energy: 1.2719350153212632
Energy: 1.2728325077296707
Energy: 1.4034769125002378
Energy: 1.272832507730437
Energy: 1.6792035522193494
Energy: 1.3384051742481022
Energy: 1.2551302656984693
Energy: 1.3384051742488687
Energy: 1.2621353434255622
Energy: 1.6401081751421773
Energy: 1.443982960715462
Energy: 1.6401081751421773
Energy: 1.2614450873021616
Energy: 1.598492673628553
Energy: 1.265534012447586
Energy: 1.5984926736277871
Energy: 1.2463353181731798
Energy: 1.3259624355748019
Energy: 1.2554306044625156
Energy: 1.325962435575568
Energy: 1.263354618022012
Energy: 1.5885232763464827
Energy: 1.6927842501931165
Energy: 1.5885232763472492
Energy: 1.4368582352145847
Energy: 1.6656632627870256
Energy: 1.2464304084667255
Energy: 1.6656632627870256
Energy: 1.2470021792619006
Energy: 1.4768670869118805
Energy: 1.555276440006748
Energy: 1.4768670869118805
Energy: 1.4579165732556596
Energy: 1.5977012986656065
Energy: 1.2902895851337373
Energy: 1.5977012986656065
Energy: 1.2564053534755115
Energy: 1.4647380621125485
Energy: 1.4738656848026184
Energy: 1.4647380621117825
Energy: 1.243347010303914
Energy: 1.5781187487864008
Energy: 1.3809476644479113
Energy: 1.5781187487856345
Energy: 1.3739825510769037
Energy: 1.4442392514795466
Energy: 1.2593036753839715
Energy: 1.4442392514803128
Energy: 1.2549448329331692
Energy: 1.3349587739355837
Energy: 1.4648069960910914
Energy: 1.3349587739355837
Energy: 1.433531669446408
Energy: 1.4771618740127848
Energy: 1.2736585943033039
Energy: 1.4771618740135513
Energy: 1.246218996785728
Energy: 1.3424359515952786
Energy: 1.3611301342091624
Energy: 1.3424359515952786
Energy: 1.4060232244466129
Energy: 1.5638716800011112
Energy: 1.3846692455467566
Energy: 1.5638716800018777
Energy: 1.386812772839489
Energy: 1.4688003727344163
Energy: 1.2577341454424613
Energy: 1.4688003727344163
Energy: 1.2654817287184703
Energy: 1.465741082558587
Energy: 1.2621414267621904
Energy: 1.465741082559353
Energy: 1.6641372315400675
Energy: 1.6044094703268472
Energy: 1.2636063583810342
Energy: 1.6044094703268472
Energy: 1.259423129068452
Energy: 1.6684768476609662
Energy: 1.7004853646648397
Energy: 1.6684768476617324
Energy: 1.3280563829632612
Energy: 1.2738815073880794
Energy: 1.2577193073492743
Energy: 1.2738815073888459
Energy: 1.426171910504423
Energy: 1.4571384161310312
Energy: 1.4294864953652784
Energy: 1.4571384161310312
Energy: 1.2808954743204788
Energy: 1.5868635178395554
Energy: 1.4329481340138406
Energy: 1.5868635178380228
Energy: 1.3344662046877345
Energy: 1.273540745911845
Energy: 1.2549512058203285
Energy: 1.273540745911845
Energy: 1.265471355875887
Energy: 1.6683357775438892
Energy: 1.7070191018299887
Energy: 1.6683357775438892
Energy: 1.5994857028721052
Energy: 1.5881891289644925
Energy: 1.2699303021703723
Energy: 1.5881891289644925
Energy: 1.2657870447873127
Energy: 1.3305483680306154
Energy: 1.262346505455588
Energy: 1.3305483680306154
Energy: 1.2671113791894633
Energy: 1.4839419519900827
Energy: 1.2612903692010455
Energy: 1.4839419519900827
Energy: 1.4115219813921445
Energy: 1.613449283545715
Energy: 1.383199866214838
Energy: 1.6134492835441825
Energy: 1.2558406191521532
Energy: 1.5039157947898907
Energy: 1.6760351536722056
Energy: 1.5039157947898907

minimum gb energy = 1.243347010303914 eV
minimum distance =  2.21849733960606 Angstroms
sigma value = 73


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

Energy: 1.3946249496119172
Energy: 1.4733913925335562
Energy: 1.6723941355760017
Energy: 1.4733913925335562
Energy: 1.489133428193004
Energy: 1.3872252625279697
Energy: 1.2669105910812253
Energy: 1.3872252625267536
Energy: 1.259638983261395
Energy: 1.4088506178040974
Energy: 1.263788329983332
Energy: 1.4088506178028815
Energy: 1.2490863594363106
Energy: 1.495932604902294
Energy: 1.2721675814507758
Energy: 1.495932604902294
Energy: 1.3040664004673472
Energy: 1.3913947812451644
Energy: 1.321334256076832
Energy: 1.3913947812463805
Energy: 1.2684748771993695
Energy: 1.5370753433034332
Energy: 1.5471067754330028
Energy: 1.537075343304649
Energy: 1.6533451362863625
Energy: 1.4823670006485037
Energy: 1.259565822345328
Energy: 1.4823670006485037
Energy: 1.2512860904810381
Energy: 1.2767206077388176
Energy: 1.579016448216223
Energy: 1.2767206077388176
Energy: 1.682119872180182
Energy: 1.281082933299793
Energy: 1.2689064853093603
Energy: 1.2810829333228932
Energy: 1.2572740803024285
Energy: 1.3577782573586363
Energy: 1.2574592336224433
Energy: 1.3577782573586363
Energy: 1.2537125234740127
Energy: 1.2811914430128484
Energy: 1.5498687164790401
Energy: 1.281191443014064
Energy: 1.4424530715874193
Energy: 1.500511125864148
Energy: 1.2391868879546397
Energy: 1.5005111258629324
Energy: 1.2708140470867155
Energy: 1.3704685166744124
Energy: 1.5755970992469814
Energy: 1.3704685166744124
Energy: 1.5850857122553237
Energy: 1.4665575328883977
Energy: 1.2622347033401562
Energy: 1.4665575328871823
Energy: 1.2464174733495954
Energy: 1.4928656167843073
Energy: 1.529371233369914
Energy: 1.4928656167830914
Energy: 1.5445831555282525
Energy: 1.2739411505429103
Energy: 1.2437491353945715
Energy: 1.2739411505429103
Energy: 1.350595864066906
Energy: 1.376629514310578
Energy: 1.2511677486326873
Energy: 1.3766295143117937
Energy: 1.3837681060576226
Energy: 1.4539722800447832
Energy: 1.2497799860060939
Energy: 1.453972280043567
Energy: 1.4381565691046119
Energy: 1.2708826326055838
Energy: 1.2524532338758427
Energy: 1.2708826326055838
Energy: 1.2671983328002647
Energy: 1.5207760887897954
Energy: 1.7031264441097007
Energy: 1.52077608878858
Energy: 1.545382127845265
Energy: 1.2524367809097456
Energy: 1.2572967660519685
Energy: 1.2524367809085297
Energy: 1.2725715450259791
Energy: 1.3864293654353503
Energy: 1.334785828145001
Energy: 1.3864293654353503

minimum gb energy = 1.2391868879546397 eV
minimum distance =  2.22729266043905 Angstroms
sigma value = 7


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

Energy: 1.3019295655870031
Energy: 1.298475857782935
Energy: 1.6776578869169505
Energy: 1.2984758577777766
Energy: 1.6229753500452162
Energy: 1.3531049166243672
Energy: 1.2710604887635042
Energy: 1.3531049166260867
Energy: 1.2650814534668327
Energy: 1.2975553510661593
Energy: 1.2777949941406472
Energy: 1.2975553510936702
Energy: 1.294448617957945
Energy: 1.3807620378326777
Energy: 1.271481045799673
Energy: 1.380762037831818
Energy: 1.264647577996536
Energy: 1.363521543712012
Energy: 1.2816985727592918
Energy: 1.3635215437128714
Energy: 1.2671722414977304
Energy: 1.3052936669378563
Energy: 1.6276798100295646
Energy: 1.3052936669378563
Energy: 1.441038840393139
Energy: 1.5020446892191843
Energy: 1.281568767968315
Energy: 1.5020446892200443
Energy: 1.2668966689646197
Energy: 1.3137141768594296
Energy: 1.607839342181263
Energy: 1.3137141768602891
Energy: 1.509794281354611
Energy: 1.3680556062467069
Energy: 1.2958005319538144
Energy: 1.3680556062475666
Energy: 1.2649144839320956
Energy: 1.3842085276607545
Energy: 1.413574838261391
Energy: 1.3842085276607545
Energy: 1.2752242748575189
Energy: 1.521043737768262
Energy: 1.2746825353052729
Energy: 1.5210437377742798
Energy: 1.303716974899791
Energy: 1.3580759811647092
Energy: 1.2844258122879404
Energy: 1.3580759811638494
Energy: 1.3043546052391135
Energy: 1.295706366675047
Energy: 1.274651537757805
Energy: 1.2957063666767668
Energy: 1.3780676046102098
Energy: 1.2822418705617997
Energy: 1.2842318569143791
Energy: 1.2822418705566414
Energy: 1.2588558273021497
Energy: 1.5357814321805587
Energy: 1.6513271058033536
Energy: 1.5357814321908754
Energy: 1.6940483350976157
Energy: 1.2893536532140921
Energy: 1.2685339262867585
Energy: 1.2893536532166714
Energy: 1.2588549041942163
Energy: 1.3566691427809234
Energy: 1.3741970435646156
Energy: 1.3566691427766249
Energy: 1.280468398163125
Energy: 1.3030972784895198
Energy: 1.2959540623335801
Energy: 1.3030972784886992
Energy: 1.2593997558488708
Energy: 1.5206892037415918
Energy: 1.2741888897630411
Energy: 1.5206892037390127
Energy: 1.265043219971549
Energy: 1.371342035675787
Energy: 1.2849344119579942
Energy: 1.3713420356723482
Energy: 1.2814111955979763
Energy: 1.5110889594065064
Energy: 1.2955795873918372
Energy: 1.5110889594073662
Energy: 1.265307595340109
Energy: 1.3044205251534464
Energy: 1.4269920818272166
Energy: 1.3044205251500076
Energy: 1.6181222219183204
Energy: 1.367701347401686
Energy: 1.2702978526513375
Energy: 1.367701347401686
Energy: 1.2978427368049896
Energy: 1.3118788083851798
Energy: 1.6700593258797645
Energy: 1.3118788083851798
Energy: 1.283016217212534
Energy: 1.3709900710917
Energy: 1.2854042915094142
Energy: 1.3709900710925598
Energy: 1.2910971811246132
Energy: 1.2958860524995832
Energy: 1.2818205817838841
Energy: 1.2958860524987232
Energy: 1.2684010958762157
Energy: 1.3846569306100176
Energy: 1.4310497490793033
Energy: 1.3846569306074386
Energy: 1.294533007863142
Energy: 1.363522333330659
Energy: 1.2708104314199171
Energy: 1.3635223333315185
Energy: 1.254883734141791
Energy: 1.2974855875639797
Energy: 1.4098666228791867
Energy: 1.2974855875656992
Energy: 1.7069920318786844
Energy: 1.3153149287611943
Energy: 1.2706245300219279
Energy: 1.3153149287611943
Energy: 1.254707729833985
Energy: 1.298189851614169
Energy: 1.5240522164300796
Energy: 1.298189851619327

minimum gb energy = 1.254707729833985 eV
minimum distance =  2.23493260512751 Angstroms
sigma value = 29


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

Energy: 1.265912790756565
Energy: 1.2137847554812824
Energy: 1.508052185422359
Energy: 1.2137847554789196
Energy: 1.3899327192848072
Energy: 1.2746455731626425
Energy: 1.2705009854709925
Energy: 1.2746455731676
Energy: 1.2392619033834529
Energy: 1.4067819801690264
Energy: 1.394840809059374
Energy: 1.4067819801692925
Energy: 1.270981268833873
Energy: 1.2229947584555219
Energy: 1.2658578085124876
Energy: 1.2229947584359242
Energy: 1.2662037035504548
Energy: 1.2238012209693139
Energy: 1.211989537689641
Energy: 1.223801220922199
Energy: 1.3611936869745396
Energy: 1.3724073198476225
Energy: 1.3676890307755438
Energy: 1.3724073198473232
Energy: 1.2152808082614677
Energy: 1.2235493313125936
Energy: 1.2663725930256702
Energy: 1.2235493318873871
Energy: 1.2654492898808662
Energy: 1.223225644045612
Energy: 1.2708097325115926
Energy: 1.2232256440453124
Energy: 1.3948141277548218
Energy: 1.4065487819258173
Energy: 1.258163046028846
Energy: 1.4065487819258173

minimum gb energy = 1.211989537689641 eV
minimum distance =  2.26829286260355 Angstroms
sigma value = 5


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

Energy: 1.279955215230659
Energy: 1.2719722406856317
Energy: 1.405804307364043
Energy: 1.2719722406848195
Energy: 1.3278034000658518
Energy: 1.3260328614569652
Energy: 1.1808073249123747
Energy: 1.3260328614529047
Energy: 1.187033217008593
Energy: 1.2557217944960084
Energy: 1.4214231575417604
Energy: 1.2557217944919477
Energy: 1.1836932653454126
Energy: 1.3112813901424696
Energy: 1.2484300640198251
Energy: 1.3112813901424696
Energy: 1.2479866257964307
Energy: 1.3374890169416933
Energy: 1.6015918943376006
Energy: 1.3374890169392573
Energy: 1.2325676666561025
Energy: 1.2855046805738297
Energy: 1.207384306737264
Energy: 1.2855046805730177
Energy: 1.2176067321552648
Energy: 1.3442103356241344
Energy: 1.222926448939264
Energy: 1.3442103356249462
Energy: 1.2128822906690016
Energy: 1.2796922753142868
Energy: 1.1824057820098532
Energy: 1.2796922753126627
Energy: 1.2544424390756839
Energy: 1.315849925500161
Energy: 1.1650167568023921
Energy: 1.3158499254985367
Energy: 1.2337762892349382
Energy: 1.3343627535756168
Energy: 1.189675508540791
Energy: 1.3343627535731806
Energy: 1.1731286364049356
Energy: 1.312322669102133
Energy: 1.1874659163482328
Energy: 1.3123226690988847
Energy: 1.1875351287434273
Energy: 1.356977917471368
Energy: 1.4015781402296312
Energy: 1.3569779174697438
Energy: 1.2829841271318376
Energy: 1.276921058334357
Energy: 1.2885607151203027
Energy: 1.276921058335169
Energy: 1.2172550730114418
Energy: 1.2818193833197564
Energy: 1.2258413581199095
Energy: 1.2818193833205684
Energy: 1.6404007990012335
Energy: 1.3131886743302987
Energy: 1.1919971454787244
Energy: 1.3131886743286747
Energy: 1.2437696687594464
Energy: 1.4165890048748142
Energy: 1.3264849864133577
Energy: 1.4165890048748142
Energy: 1.4924407638111319
Energy: 1.2158197971499487
Energy: 1.1759017510611924
Energy: 1.215819797150761
Energy: 1.224123417249997
Energy: 1.27472985827269
Energy: 1.2773754126720693
Energy: 1.274729858271066
Energy: 1.201771150171222
Energy: 1.3493431772136049
Energy: 1.203938152543115
Energy: 1.3493431772136049
Energy: 1.1756752737881557
Energy: 1.2936455771349022
Energy: 1.255068223893456
Energy: 1.293645577131654
Energy: 1.1698081932417521
Energy: 1.3150491808115747
Energy: 1.2546309637263293
Energy: 1.315049180810763
Energy: 1.2016555634283312
Energy: 1.3304513827605498
Energy: 1.2404724830442315
Energy: 1.3304513827597375
Energy: 1.1934345243679927
Energy: 1.2863368275736007
Energy: 1.1781414060992221
Energy: 1.286336827575225
Energy: 1.400882193943216
Energy: 1.2781323439466727
Energy: 1.1958730663963855
Energy: 1.278132343945861
Energy: 1.4233025574720655
Energy: 1.4358351368596827
Energy: 1.181293705155148
Energy: 1.4358351368572464
Energy: 1.2171252424164407
Energy: 1.2777665602343633
Energy: 1.2445756870791278
Energy: 1.2777665602343633
Energy: 1.1925076833116675
Energy: 1.3006758227415776
Energy: 1.339404438860139
Energy: 1.300675822739141
Energy: 1.2214929514282458
Energy: 1.2843072395631387
Energy: 1.2439010474684058
Energy: 1.2843072395607023
Energy: 1.1827849292176487
Energy: 1.3197035342275054
Energy: 1.4159423438337202
Energy: 1.3197035342266932
Energy: 1.40067298814796
Energy: 1.2845902128605553
Energy: 1.2322004215429028
Energy: 1.2845902128621796
Energy: 1.2158020292415663
Energy: 1.2584655937997786
Energy: 1.4864379474362046
Energy: 1.258465593795718
Energy: 1.4990599946512113
Energy: 1.3449284630240492
Energy: 1.1898580549607767
Energy: 1.344928463021613
Energy: 1.2411669809192352
Energy: 1.3126038396878792
Energy: 1.1732378964864103
Energy: 1.3126038396903152

minimum gb energy = 1.1650167568023921 eV
minimum distance =  2.22191060970829 Angstroms
sigma value = 1


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

Energy: 1.3968464113501031
Energy: 1.2209253438117231
Energy: 1.5270412647641838
Energy: 1.220925343812846
Energy: 1.2184747294891933
Energy: 1.2785759616107704
Energy: 1.140654681362759
Energy: 1.2785759616107704
Energy: 1.1335014158804213
Energy: 1.227183267806204
Energy: 1.3670023848683013
Energy: 1.2271832678073271
Energy: 1.134546811348512
Energy: 1.2773724497473677
Energy: 1.1918639037114611
Energy: 1.2773724497473677
Energy: 1.1064202047756517
Energy: 1.366706798461608
Energy: 1.3325795714123585
Energy: 1.366706798460485
Energy: 1.1040522600236393
Energy: 1.2741572534616499
Energy: 1.190160064558744
Energy: 1.2741572534627728
Energy: 1.1381368411331576
Energy: 1.367072084002037
Energy: 1.3370865978555115
Energy: 1.3670720840042825
Energy: 1.1364515910264805
Energy: 1.2276022124212433
Energy: 1.1363119416246612
Energy: 1.2276022124212433
Energy: 1.2328520086484458
Energy: 1.209129812374209
Energy: 1.1778739548811212
Energy: 1.209129812374209
Energy: 1.23263091093833
Energy: 1.4370529445746312
Energy: 1.1730632593236223
Energy: 1.437052944575754
Energy: 1.1351109538706905
Energy: 1.2160725700185169
Energy: 1.1765937089790173
Energy: 1.2160725700196398
Energy: 1.136512677381204
Energy: 1.3771589513609672
Energy: 1.3341162253320267
Energy: 1.37715895136209
Energy: 1.1023195037906723
Energy: 1.2790182501852392
Energy: 1.183009228412348
Energy: 1.2790182501829934
Energy: 1.1056168337257992
Energy: 1.3146736292439412
Energy: 1.3850596228120902
Energy: 1.314673629245064
Energy: 1.1915832613011639
Energy: 1.2756131116348415
Energy: 1.1787395886395864
Energy: 1.2756131116348415
Energy: 1.1332082785702686
Energy: 1.242945404847541
Energy: 1.3020756570204732
Energy: 1.2429454048464181
Energy: 1.3834485800120084
Energy: 1.2879897762611205
Energy: 1.150981061201284
Energy: 1.2879897762611205
Energy: 1.3968464113489802
Energy: 1.220925343812846
Energy: 1.5270412647641838
Energy: 1.220925343812846
Energy: 1.2184747294813334
Energy: 1.2785759616107704
Energy: 1.140654681362759
Energy: 1.2785759616107704
Energy: 1.1335014158781758
Energy: 1.227183267806204
Energy: 1.3670023848694244
Energy: 1.2271832678073271
Energy: 1.134546811348512
Energy: 1.2773724497473677
Energy: 1.1918639037114611
Energy: 1.2773724497473677
Energy: 1.1064202047767748
Energy: 1.3667067984627308
Energy: 1.3226704929388564
Energy: 1.366706798460485
Energy: 1.1040522600236393
Energy: 1.2741572534627728
Energy: 1.1901600645576211
Energy: 1.2741572534627728
Energy: 1.1381368411331576
Energy: 1.3670720840031598
Energy: 1.3370865978543887
Energy: 1.3670720840042825

minimum gb energy = 1.1023195037906723 eV
minimum distance =  2.22361627593472 Angstroms
sigma value = 17


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

Energy: 1.2176238100173429
Energy: 1.2160641401545624
Energy: 1.5119979831358454
Energy: 1.2160641401538683
Energy: 1.3935360039407148
Energy: 1.1604355889419717
Energy: 1.1175865032972343
Energy: 1.1604355889419717
Energy: 1.111288712138095
Energy: 1.1705900390675914
Energy: 1.3126364075501855
Energy: 1.1705900390675914
Energy: 1.1636474785044044
Energy: 1.3661253526824908
Energy: 1.1052754692406153
Energy: 1.3661253526824908
Energy: 1.0885099504376894
Energy: 1.2931541105869702
Energy: 1.1425019734991753
Energy: 1.2931541105862763
Energy: 1.1190511932586127
Energy: 1.3886428739191878
Energy: 1.1495535393406815
Energy: 1.3886428739184937
Energy: 1.123054830180094
Energy: 1.2471571332289342
Energy: 1.1843311606997697
Energy: 1.2471571332289342
Energy: 1.1448916774945441
Energy: 1.2131441782026218
Energy: 1.084127666122693
Energy: 1.2131441782019279
Energy: 1.169051812686686
Energy: 1.2209620280816105
Energy: 1.1444662916951869
Energy: 1.2209620280802225
Energy: 1.1708681189546075
Energy: 1.2181912966632067
Energy: 1.1089238282526086
Energy: 1.2181912966639008
Energy: 1.1230932818277366
Energy: 1.371005252757587
Energy: 1.1081737193132175
Energy: 1.3710052527582808
Energy: 1.1083930733265195
Energy: 1.2487704355344982
Energy: 1.0971701464771664
Energy: 1.2487704355351923
Energy: 1.0859611048568063
Energy: 1.1892168660206426
Energy: 1.1120597200506868
Energy: 1.1892168660199485
Energy: 1.0900476487931352
Energy: 1.291386669474789
Energy: 1.1847718745717721
Energy: 1.2913866694740952
Energy: 1.1145488739573266
Energy: 1.3745220176711745
Energy: 1.2129320960925543
Energy: 1.3745220176732564
Energy: 1.1073416261586184
Energy: 1.210309928749206
Energy: 1.1365457929851877
Energy: 1.2103099287485117
Energy: 1.1179729364388964
Energy: 1.1138973642375498
Energy: 1.119765049988437
Energy: 1.1138973642361618
Energy: 1.1280561629707258
Energy: 1.198442476040212
Energy: 1.3457423842647858
Energy: 1.1984424760381296
Energy: 1.4013577368867005
Energy: 1.1275903928405775
Energy: 1.1072332366751847
Energy: 1.1275903928412716
Energy: 1.1458892035402173
Energy: 1.182504571411476
Energy: 1.3034228616832884
Energy: 1.1825045714107818
Energy: 1.3080556925935667
Energy: 1.158448460546806
Energy: 1.112063732386536
Energy: 1.1584484605461118
Energy: 1.128052362001377
Energy: 1.1850694629778136
Energy: 1.3073396554371026
Energy: 1.1850694629778136
Energy: 1.3078840344217788
Energy: 1.12810979791725
Energy: 1.1390573538765492
Energy: 1.1281097979179442
Energy: 1.1213337219774129
Energy: 1.2554646321361889
Energy: 1.3782106105637495
Energy: 1.2554646321368832
Energy: 1.1420539483042114
Energy: 1.213890909924853
Energy: 1.1208121432318794
Energy: 1.2138909099255468
Energy: 1.1133190248083809
Energy: 1.2925333805299997
Energy: 1.1233405592864136
Energy: 1.2925333805306938
Energy: 1.3726751490615028
Energy: 1.1913891148348796
Energy: 1.104684727976945
Energy: 1.1913891148362679
Energy: 1.1931600084102092
Energy: 1.3901242262146642
Energy: 1.111549572190128
Energy: 1.3901242262160523
Energy: 1.1997991004717443
Energy: 1.2731596159548821
Energy: 1.0937450773632797
Energy: 1.2731596159548821
Energy: 1.1132586363260915
Energy: 1.1873136728393643
Energy: 1.1358801195708668
Energy: 1.18731367283867
Energy: 1.0915129539059871
Energy: 1.2888337955600189
Energy: 1.1272247980463637
Energy: 1.288833795559325
Energy: 1.1194667354066226
Energy: 1.3685024538234336
Energy: 1.1386732883414117
Energy: 1.3685024538234336
Energy: 1.1109387892055305
Energy: 1.2134970276540893
Energy: 1.4163473708440661
Energy: 1.2134970276540893
Energy: 1.1385636975675502
Energy: 1.3997544480451096
Energy: 1.1640101810941041
Energy: 1.3997544480458035
Energy: 1.1113847356970747
Energy: 1.21299263622052
Energy: 1.1630810950197805
Energy: 1.2129926362198256
Energy: 1.16593052908641
Energy: 1.256840489445823
Energy: 1.1067727150622997
Energy: 1.2568404894465168
Energy: 1.139026753103723
Energy: 1.3857526817098889
Energy: 1.1322508701650125
Energy: 1.3857526817098889
Energy: 1.1253122753422478
Energy: 1.29332200119723
Energy: 1.113763806304974
Energy: 1.2933220011958422

minimum gb energy = 1.084127666122693 eV
minimum distance =  2.22639863322877 Angstroms
sigma value = 89


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

Energy: 1.0754812960786777
Energy: 1.0327926175619362
Energy: 1.3668331366607966
Energy: 1.0327926175619362
Energy: 1.024145222108811
Energy: 1.0801999875780952
Energy: 1.0277648576606306
Energy: 1.0801999875762793
Energy: 1.0260887795203062
Energy: 1.2870620611776964
Energy: 1.2042732741406241
Energy: 1.287062061179512
Energy: 1.1915271155601717
Energy: 1.079683958938401
Energy: 1.0279091084573968
Energy: 1.079683958938401
Energy: 1.0535742173887641
Energy: 1.1506293194136112
Energy: 1.0509365413809206
Energy: 1.150629319415427
Energy: 1.0509852543530347
Energy: 1.0200574933284208
Energy: 1.028112124747951
Energy: 1.0200574933302367
Energy: 1.0260351138782315
Energy: 1.3006692068777415
Energy: 1.023440908662668
Energy: 1.3006692068777415
Energy: 0.9578312146321285
Energy: 1.256024939762932
Energy: 1.0278001781281438
Energy: 1.256024939761116
Energy: 1.0535584177194561
Energy: 1.1234516207200729
Energy: 0.9792773922889614
Energy: 1.1234516207200729
Energy: 1.079988370008514
Energy: 1.0195132817806427
Energy: 1.035408326925275
Energy: 1.019513281791538
Energy: 1.025650373274149
Energy: 1.08188600100376
Energy: 1.0567254456549133
Energy: 1.081886001001944
Energy: 1.0295256039142806
Energy: 1.2549139969064493
Energy: 1.0237790027443714
Energy: 1.2549139969046332
Energy: 1.054199725074433
Energy: 1.019904355928384
Energy: 1.0087463990764391
Energy: 1.019904355928384
Energy: 1.0356265284423318
Energy: 1.1244417884917892
Energy: 1.035490509681712
Energy: 1.124441788493605
Energy: 0.9916168508230664
Energy: 1.0198405400294959
Energy: 1.0542026331575425
Energy: 1.0198405400294959

minimum gb energy = 0.9578312146321285 eV
minimum distance =  2.25198565370658 Angstroms
sigma value = 13


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

Energy: 1.0460350768910733
Energy: 0.9644452509768642
Energy: 1.361487069830995
Energy: 0.9644452509768642
Energy: 1.0180110409185719
Energy: 1.0090793473176538
Energy: 0.9357102475438849
Energy: 1.009079347319937
Energy: 0.9682972930214881
Energy: 0.9647249763141833
Energy: 1.1355997191701028
Energy: 0.9647249763179889
Energy: 1.0018046226527466
Energy: 1.0119929903713916
Energy: 0.9344312454752632
Energy: 1.0119929903683471
Energy: 0.9660907340435531
Energy: 1.0393596909073355
Energy: 0.9635436259826926
Energy: 1.0393596909096188
Energy: 0.9365977976677309
Energy: 1.0064591098961733
Energy: 1.010241882239066
Energy: 1.0064591098992173
Energy: 1.0123216855659503
Energy: 0.9898525657546741
Energy: 1.2896641729176157
Energy: 0.9898525657516296
Energy: 0.9161587803761503
Energy: 1.002955325939943
Energy: 1.010209028838317
Energy: 1.002955325939943
Energy: 0.9688969567747078
Energy: 1.0551130730863547
Energy: 1.3190515642198175
Energy: 1.0551130730848328
Energy: 1.2035026197835406
Energy: 1.103043678383747
Energy: 0.9345536160934884
Energy: 1.1030436783913582
Energy: 0.9676252907050445
Energy: 1.0808640725365082
Energy: 0.9295668697854127
Energy: 1.0808640725372693
Energy: 1.0225492436068182
Energy: 1.0897040985106838
Energy: 0.9350029651454903
Energy: 1.089704098506117
Energy: 1.0490080492907592
Energy: 1.0030729300930297
Energy: 0.9459714275646582
Energy: 1.0030729300975962
Energy: 1.4420370455030613
Energy: 1.1070254282824918
Energy: 0.9370954836751308
Energy: 1.1070254282832528
Energy: 1.0123900501049392
Energy: 0.9652527722970453
Energy: 0.9283941634688807
Energy: 0.9652527722993287
Energy: 0.971260135932891
Energy: 1.0942204323111333
Energy: 0.937434427184098
Energy: 1.0942204323080889
Energy: 0.9663045287928346
Energy: 1.0550777969846483
Energy: 0.9356837483640218
Energy: 1.055077796989976
Energy: 0.9879790252715521
Energy: 1.0515914222894214
Energy: 1.01691400326731
Energy: 1.0515914222977936
Energy: 0.9895943828726567
Energy: 1.0058962079248668
Energy: 1.0173378224157823
Energy: 1.0058962079301945
Energy: 0.9893726371564743
Energy: 1.005486752173588
Energy: 1.0174795686862788
Energy: 1.0054867521758712
Energy: 0.9880754593885493
Energy: 1.0515042596923518
Energy: 1.017153506829568
Energy: 1.0515042596961572
Energy: 0.9640416340716149
Energy: 1.0552680714184437
Energy: 0.9353960390251219
Energy: 1.0552680714115938
Energy: 0.9667027930624609
Energy: 1.1074701904049162
Energy: 0.93695146908437
Energy: 1.1074701903988275
Energy: 1.0124062638047702
Energy: 0.9650013342851653
Energy: 0.9461927269290624
Energy: 0.965001334282882
Energy: 1.4419401016204978
Energy: 1.1065037732814689
Energy: 0.9343539573176683
Energy: 1.1065037732791856
Energy: 1.0490157733428318
Energy: 1.0030564143707938
Energy: 0.9425207287292502
Energy: 1.0030564143730771
Energy: 1.021661861638736
Energy: 1.1069770151422043
Energy: 0.9388468366212415
Energy: 1.1069770151406821
Energy: 1.012245439102305
Energy: 1.0809159513817066
Energy: 0.9296526837577479
Energy: 1.0809159513862732
Energy: 1.203328760964525
Energy: 1.0949573714788885
Energy: 0.9337549250896547
Energy: 1.0949573714773662
Energy: 0.9685555528086791
Energy: 1.0546023209174402
Energy: 1.463528030124587
Energy: 1.0546023209143958
Energy: 0.9162919515052437
Energy: 1.0044895899982151
Energy: 1.010212703445071
Energy: 1.0044895899928876
Energy: 0.9683262889912471
Energy: 0.9895575298548908
Energy: 1.2907858392141447
Energy: 0.9895575298541296
Energy: 0.9383201608914576
Energy: 1.0032889498863684
Energy: 1.0105078396264655
Energy: 1.0032889498802795
Energy: 0.9684483350249452
Energy: 1.0398399018762223
Energy: 0.9637197888019845
Energy: 1.0398399018754612
Energy: 1.0020654442565458
Energy: 1.010116405071605
Energy: 0.9345103484335141
Energy: 1.0101164050693214

minimum gb energy = 0.9161587803761503 eV
minimum distance =  2.24969399736058 Angstroms
sigma value = 37


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

Energy: 0.9987286418011148
Energy: 0.960565652932385
Energy: 1.2435561339975494
Energy: 0.9605656529336947
Energy: 0.9457697108095429
Energy: 0.9567191481237249
Energy: 0.8517764482797103
Energy: 0.9567191481250343
Energy: 0.8547686831144389
Energy: 1.0827909893551444
Energy: 0.8269438713324921
Energy: 1.0827909893551444
Energy: 0.8497087860677662
Energy: 0.9504089923289422
Energy: 0.849672003375527
Energy: 0.9504089923289422
Energy: 0.848723841527897
Energy: 0.9576849303549456
Energy: 0.8745244459784524
Energy: 0.9576849303549456
Energy: 0.8279528129013493
Energy: 0.9570788612737076
Energy: 0.8523429943738989
Energy: 0.9570788612737076
Energy: 0.8556430732200612
Energy: 1.0393862340896884
Energy: 0.9810096841795044
Energy: 1.0393862340896884
Energy: 0.8569603470310645
Energy: 0.9505734692953625
Energy: 0.9977325651205317
Energy: 0.9505734692979814
Energy: 0.8490247741496565
Energy: 0.9516187025247557
Energy: 1.1901822705810459
Energy: 0.9516187025234463
Energy: 1.2545219116611155
Energy: 1.0711939185057744
Energy: 0.8523100134167366
Energy: 1.071193918504465
Energy: 0.8558399995799514
Energy: 1.0394251563519832
Energy: 0.8497637584684347
Energy: 1.0394251563519832
Energy: 1.305142253212278
Energy: 0.9519029455432129
Energy: 0.8497903422020333
Energy: 0.9519029455432129
Energy: 0.850912097775645
Energy: 0.9596211401196776
Energy: 0.8143712542500026
Energy: 0.9596211401196776
Energy: 0.9536360075170021
Energy: 1.0511020030287441
Energy: 0.8556775539211183
Energy: 1.0511020030287441
Energy: 0.9514990931727627
Energy: 1.0397408043599932
Energy: 0.8559369363332446
Energy: 1.0397408043599932
Energy: 0.9754086342939096
Energy: 0.951698388989893
Energy: 0.8494535720333185
Energy: 0.951698388989893
Energy: 0.850850089614533
Energy: 1.0831125935907542
Energy: 0.8198134112348981
Energy: 1.0831125935920638
Energy: 0.8500198944024845
Energy: 1.015659976801073
Energy: 0.8559592005715199
Energy: 1.015659976801073
Energy: 0.8563878733409381
Energy: 0.9506553658292589
Energy: 0.8581113501933396
Energy: 0.9506553658305386
Energy: 0.8561027422560366
Energy: 0.955407822333649
Energy: 0.85077516371928
Energy: 0.9554078223323396

minimum gb energy = 0.8143712542500026 eV
minimum distance =  2.25504988196343 Angstroms
sigma value = 25


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

Energy: 1.0733883681857912
Energy: 0.8237148531551143
Energy: 0.9285718647675776
Energy: 0.8237148531540917
Energy: 0.983426749817987
Energy: 0.8414963171361977
Energy: 0.8111687182918236
Energy: 0.8414963171361977
Energy: 1.0117160004222352
Energy: 0.8283933025368064
Energy: 0.7638154898423462
Energy: 0.8283933025357839
Energy: 1.0046899228069728
Energy: 0.8775012263255273
Energy: 0.8113512832195441
Energy: 0.8775012263245048
Energy: 0.8428275089926439
Energy: 0.8392591311512829
Energy: 0.9105399343027388
Energy: 0.8392591311512829
Energy: 0.9010431229323235
Energy: 0.831078787458483
Energy: 0.8389669040130225
Energy: 0.831078787458483
Energy: 0.8202922692449123
Energy: 0.7965856027982904
Energy: 0.9870329375053837
Energy: 0.796585602799313
Energy: 0.7533937615292652
Energy: 0.9050110059587906
Energy: 0.9904311543147242
Energy: 0.9050110059577681
Energy: 0.8134516318158349
Energy: 0.8489624092253077
Energy: 1.4431467452053746
Energy: 0.8489624092263303
Energy: 0.7504300374944404
Energy: 0.8016719484477456
Energy: 0.9057351059044524
Energy: 0.8016719484467231
Energy: 0.8187398655158817
Energy: 0.8059873419874285
Energy: 1.1360723684871326
Energy: 0.8059873419864061
Energy: 1.0487260108353207
Energy: 0.8886070605128247
Energy: 0.9908023974695561
Energy: 0.8886070605118022
Energy: 0.8028232593990458
Energy: 0.8782015202123827
Energy: 1.0592012367521504
Energy: 0.8782015202123827
Energy: 1.149900838588707
Energy: 0.7994739177287307
Energy: 0.8398367737794945
Energy: 0.7994739177277081
Energy: 0.8305337108402994
Energy: 0.7974288430599596
Energy: 0.931996278857422
Energy: 0.797428843058937
Energy: 0.989257941625205
Energy: 0.8887033410371232
Energy: 0.8075904925508677
Energy: 0.8887033410371232
Energy: 0.9938979079742283
Energy: 0.9048738414738079
Energy: 0.8899580979355065
Energy: 0.9048738414738079
Energy: 1.0812223145988273
Energy: 0.8548074352445458
Energy: 0.8098213682218962
Energy: 0.8548074352455683
Energy: 1.0729593896786886
Energy: 0.8203497409831174
Energy: 0.749774076298018
Energy: 0.8203497409820949
Energy: 0.9848656238081
Energy: 0.9737943547469822
Energy: 0.804734819702513
Energy: 0.9737943547459597
Energy: 0.9939402197522523
Energy: 0.9040122009757667
Energy: 0.7163946642677509
Energy: 0.9040122009767891
Energy: 0.9818652653230112
Energy: 0.8729269484026716
Energy: 0.8489871867930661
Energy: 0.8729269484026716
Energy: 0.8395714373491512
Energy: 0.7973995531146628
Energy: 1.1384339026433352
Energy: 0.7973995531177304
Energy: 0.9365347908316758
Energy: 0.9675337684087669
Energy: 0.8239114789368652
Energy: 0.9675337684097896
Energy: 0.810696210850432
Energy: 0.9727935260931287
Energy: 0.9915394120070706
Energy: 0.9727935260921062
Energy: 0.7611295734228676
Energy: 0.9044672978978044
Energy: 0.9964345792840146
Energy: 0.9044672978967818

minimum gb energy = 0.7163946642677509 eV
minimum distance =  2.25660364349397 Angstroms
sigma value = 41


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

Energy: 1.2961869991063877
Energy: 0.7784350711245751
Energy: 1.1212170598724431
Energy: 0.7784350711245751
Energy: 1.2203591852900764
Energy: 0.7372180787989043
Energy: 0.702427984657266
Energy: 0.7372180787980661
Energy: 0.7763400403254467
Energy: 0.7022069355782383
Energy: 1.2302872059671637
Energy: 0.7022069355782383
Energy: 0.9684501923255756
Energy: 0.7415977104058775
Energy: 0.7151315397438693
Energy: 0.7415977104050393
Energy: 0.7343781053718527
Energy: 0.8020238764862099
Energy: 0.6753522463395673
Energy: 0.8020238764862099
Energy: 0.9527032721839508
Energy: 0.7227672337295509
Energy: 0.7022519119212736
Energy: 0.722767233727036
Energy: 0.7031643469570851
Energy: 0.7396393788754667
Energy: 0.7115989008187344
Energy: 0.7396393788763049
Energy: 0.6665962330176258
Energy: 0.7772705790178677
Energy: 0.7351904625099133
Energy: 0.7772705790187059
Energy: 0.716719992566953
Energy: 0.7627541045225119
Energy: 1.089003297586667
Energy: 0.7627541045225119
Energy: 0.6480847050962972
Energy: 0.7031697514051997
Energy: 0.7775460036159916
Energy: 0.7031697514051997
Energy: 0.7036007963195745
Energy: 0.7403204255757218
Energy: 1.2618650093395012
Energy: 0.7403204255757218
Energy: 0.6648921406425248
Energy: 0.7612888606886672
Energy: 1.2962311724514481
Energy: 0.7612888606895055
Energy: 0.7057991035462152
Energy: 0.7623742105540161
Energy: 1.406230953015837
Energy: 0.7623742105531779
Energy: 0.9051506471217525
Energy: 1.0650586103292838
Energy: 0.7659666465599969
Energy: 1.0650586103284456
Energy: 0.7004880864138039
Energy: 0.7398085867815947
Energy: 1.192602497330499
Energy: 0.7398085867824331
Energy: 0.9965903168140914
Energy: 0.761505287956023
Energy: 0.735123128604484
Energy: 0.761505287956023
Energy: 0.7098427701010256
Energy: 0.7610499587240293
Energy: 1.0724967571445585
Energy: 0.7610499587231909
Energy: 0.7226394801630985
Energy: 0.8219771562740239
Energy: 0.7022871583584468
Energy: 0.8219771562748622
Energy: 0.7032075655002694
Energy: 0.7768255520632011
Energy: 0.672118197644227
Energy: 0.7768255520531415
Energy: 0.7889342942742072
Energy: 0.760979338627022
Energy: 0.7176350955993992
Energy: 0.7609793386286987
Energy: 0.7483049148228399
Energy: 0.7453585693438444
Energy: 0.6463637747985996
Energy: 0.745358569345521
Energy: 1.2851116498463029
Energy: 0.772189211711086
Energy: 0.7055544439800768
Energy: 0.772189211711086
Energy: 1.294352099039537
Energy: 0.7771107210313914
Energy: 0.6707945648814668
Energy: 0.7771107210313914
Energy: 1.2264978416880576
Energy: 0.7448416030057168
Energy: 0.6987085133598242
Energy: 0.7448416030040403
Energy: 0.779504170189618
Energy: 0.8202605487409756
Energy: 0.6512980505347862
Energy: 0.8202605487401373
Energy: 1.1908584937395648
Energy: 0.7734684755878078
Energy: 0.7040862123941798
Energy: 0.7734684755886462
Energy: 0.7033457120623262
Energy: 0.7441110052721412
Energy: 0.9991540584578386
Energy: 0.7441110052721412
Energy: 0.7004064374382298
Energy: 0.7602319586039006
Energy: 0.7016729301079874
Energy: 0.7602319586030624
Energy: 0.7105777829047243
Energy: 0.8203608302883008
Energy: 0.727638303896473
Energy: 0.8203608302975219
Energy: 0.6806339040216142
Energy: 0.8122852002599585
Energy: 0.7062860023499841
Energy: 0.8122852002616351
Energy: 0.7033525429487594
Energy: 0.743034461478682
Energy: 0.786931526458631
Energy: 0.7430344614803587
Energy: 0.6775164743820467
Energy: 0.744094773682922
Energy: 0.7545720768333882
Energy: 0.7440947736820837

minimum gb energy = 0.6463637747985996 eV
minimum distance =  2.25839174337598 Angstroms
sigma value = 15


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

Energy: 1.1597205847133403
Energy: 0.6642634984023311
Energy: 1.0792152530736647
Energy: 0.664263498401621
Energy: 1.2800080906541946
Energy: 0.6759663843108762
Energy: 0.6728997324754138
Energy: 0.6759663843108762
Energy: 0.7225040581340277
Energy: 0.67334026919702
Energy: 1.1568908767041302
Energy: 0.67334026919702
Energy: 1.1185707636834912
Energy: 0.6758072489934516
Energy: 0.6726765879089324
Energy: 0.6758072489934516
Energy: 0.6879888769911461
Energy: 0.6614589081669109
Energy: 0.6240614229983705
Energy: 0.6614589081683312
Energy: 1.084268253681429
Energy: 0.6591372824241319
Energy: 0.6736945989228326
Energy: 0.6591372824234216
Energy: 0.6726978381558885
Energy: 0.6915179760370396
Energy: 0.6367468984655354
Energy: 0.6915179760377498
Energy: 0.86826461437036
Energy: 0.7069503709314662
Energy: 0.6725097065158713
Energy: 0.706950370930756
Energy: 0.6727661786635345
Energy: 0.6803262889019427
Energy: 0.9530038678662626
Energy: 0.6803262889026528
Energy: 0.6346173668745687
Energy: 0.6595113362143095
Energy: 0.688810292708378
Energy: 0.6595113362143095
Energy: 0.6803473366221071
Energy: 0.6754413253261545
Energy: 1.0705709068080433
Energy: 0.6754413253261545
Energy: 0.615455163311181
Energy: 0.6601342651141597
Energy: 0.7108812231193147
Energy: 0.6601342651148698
Energy: 0.6739483218878356
Energy: 0.6792242564385074
Energy: 1.4711273009486034
Energy: 0.6792242564363768
Energy: 0.616071729793222
Energy: 0.6605266497622809
Energy: 1.1605722416254436
Energy: 0.6605266497644114
Energy: 0.6902000301675326
Energy: 0.6597005751358587
Energy: 1.4930124023449725
Energy: 0.6597005751344384
Energy: 0.8162218070613847
Energy: 0.6896534118204528
Energy: 0.723163306157665
Energy: 0.6896534118204528
Energy: 0.6740460456437639
Energy: 0.678788259046773
Energy: 1.3267103062427996
Energy: 0.6787882590474831
Energy: 0.8839450362448378
Energy: 0.6593958471469583
Energy: 0.688942271099047
Energy: 0.6593958471448279
Energy: 0.6733803420664665
Energy: 0.6744595299438286
Energy: 1.0823045195797911
Energy: 0.6744595299452489
Energy: 0.643572283993532
Energy: 0.6579253095470855
Energy: 0.6725412009726458
Energy: 0.6579253095470855
Energy: 0.6736011712622453
Energy: 0.6961743331242288
Energy: 0.981233309601582
Energy: 0.6961743331270694
Energy: 0.677917559636855
Energy: 0.6789364046752443
Energy: 0.673685033486531
Energy: 0.6789364046752443
Energy: 0.6595191594940205
Energy: 0.6586330853964073
Energy: 0.6202339032818708
Energy: 0.6586330853971175
Energy: 1.1177159145986173
Energy: 0.6739740035891901
Energy: 0.6812741307770595
Energy: 0.6739740035891901
Energy: 0.6942490693705968
Energy: 0.6963577600533857
Energy: 0.6050733993605829
Energy: 0.6963577600540959
Energy: 1.2580243028804963
Energy: 0.6777965437406518
Energy: 0.6736050249970597
Energy: 0.677796543742072
Energy: 1.1604667827467048
Energy: 0.6595775521074445
Energy: 0.6205989395506424
Energy: 0.6595775521067344
Energy: 1.4955041935499578
Energy: 0.6586688851848432
Energy: 0.6908238217826529
Energy: 0.6586688851834229
Energy: 0.7245098674122823
Energy: 0.6939324997145417
Energy: 0.6083638561335789
Energy: 0.6939324997230636
Energy: 1.1073546631639373
Energy: 0.6774101995831884
Energy: 0.6754901412878881
Energy: 0.6774101995831884
Energy: 0.6802290763750279
Energy: 0.6580217870358642
Energy: 0.8779929192034638
Energy: 0.6580217870358642
Energy: 1.0808798280432979
Energy: 0.6742908036615061
Energy: 0.6657675084344191
Energy: 0.6742908036636366
Energy: 0.6737966972402483
Energy: 0.6940734920781736
Energy: 0.6530103347474204
Energy: 0.694073492051898
Energy: 0.6524149725426822
Energy: 0.6949631463631701
Energy: 0.68096184555937
Energy: 0.6949631463638803
Energy: 0.6526763190886938
Energy: 0.6576354862680023
Energy: 0.6903032479394146
Energy: 0.6576354862665821
Energy: 0.6183347308835508
Energy: 0.6587003959373801
Energy: 0.6678376297133828
Energy: 0.6587003959366698
Energy: 0.677024331033635
Energy: 0.6952426999933178
Energy: 1.1438691360829845
Energy: 0.6952427000075209

minimum gb energy = 0.6050733993605829 eV
minimum distance =  2.25450663604486 Angstroms
sigma value = 85


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

Energy: 1.0855049462830315
Energy: 0.6590769281837511
Energy: 0.9906740319319011
Energy: 0.6590769281646576
Energy: 1.4622593606153529
Energy: 0.6623597743402029
Energy: 0.6283560913718759
Energy: 0.6623597743402029
Energy: 1.0436529830402734
Energy: 0.6640646196403759
Energy: 0.5185068095257661
Energy: 0.6640646196403759
Energy: 1.3533276481232372
Energy: 0.675006455268103
Energy: 0.6268370299159901
Energy: 0.675006455267487
Energy: 0.6824025996444353
Energy: 0.6256859786964847
Energy: 0.538904565491786
Energy: 0.6256859786964847
Energy: 1.1216822626435772
Energy: 0.6623257554511032
Energy: 0.6271541405517205
Energy: 0.6623257554523351
Energy: 0.6356247213236594
Energy: 0.6975480626151549
Energy: 0.6106094796249958
Energy: 0.697548062614539
Energy: 0.9778305686712514
Energy: 0.6626470233787048
Energy: 0.6269950076767379
Energy: 0.6626470233787048
Energy: 0.6374396360345209
Energy: 0.6487186063421261
Energy: 0.8514013555128622
Energy: 0.6487186063415102
Energy: 0.7878696505846488
Energy: 0.6875919535930873
Energy: 0.6276515640370184
Energy: 0.6875919535930873
Energy: 0.6275686949999392
Energy: 0.6722623324264704
Energy: 0.9712052647740236
Energy: 0.6722623324399924
Energy: 0.5318790230970359
Energy: 0.6621157636313636
Energy: 0.6827781748904148
Energy: 0.6621157636313636
Energy: 0.6371171279476832
Energy: 0.6489789574457637
Energy: 1.2450844104777754
Energy: 0.6489789574457637
Energy: 0.5174404310494911
Energy: 0.674232413071383
Energy: 1.0445250132387023
Energy: 0.674232413071383
Energy: 0.6299758348299719
Energy: 0.6743309737949078
Energy: 1.4977691143619496
Energy: 0.6743309737961396
Energy: 0.531139782559713
Energy: 0.6580650699468897
Energy: 1.0857436415931623
Energy: 0.6580650699468897
Energy: 0.6368913917626741
Energy: 0.6385281071369993
Energy: 1.558737434581756
Energy: 0.6385281071369993
Energy: 0.6839027832068229
Energy: 0.671134713479716
Energy: 1.0445663294818892
Energy: 0.6711347134809478
Energy: 0.629582754015433
Energy: 0.6641193706730392
Energy: 1.2925498631845505
Energy: 0.6641193706736551
Energy: 0.7990259034645893
Energy: 0.6577212155039873
Energy: 0.682828452011665
Energy: 0.6577212154959803
Energy: 0.6239503203047762
Energy: 0.6366981591689569
Energy: 1.1911462113595317
Energy: 0.6366981591695728
Energy: 0.5897304831969433
Energy: 0.6603043784279373
Energy: 0.6361288511153353
Energy: 0.6603043784291692
Energy: 0.6296596123449195
Energy: 0.6615994787467224
Energy: 0.9774133546604025
Energy: 0.6615994787461065
Energy: 0.6696826321810179
Energy: 0.687149973677653
Energy: 0.6278879700592822
Energy: 0.687149973677653
Energy: 0.6370979139641791
Energy: 0.6630533832863705
Energy: 0.8733799716279491
Energy: 0.6630533832863705
Energy: 1.007257442088017
Energy: 0.6631908413647801
Energy: 0.6242467727339587
Energy: 0.6631908413641642
Energy: 0.6842775895368102
Energy: 0.662207375776017
Energy: 0.5314728458471943
Energy: 0.6622073757766328
Energy: 1.0693350176577028
Energy: 0.6868492254194835
Energy: 0.6268465709719688
Energy: 0.6868492254200994
Energy: 1.0459616961829137
Energy: 0.6707178824769656
Energy: 0.5158709095995477
Energy: 0.6707178824769656
Energy: 1.4997942020919661
Energy: 0.6630110562820886
Energy: 0.628575323168179
Energy: 0.6630110562827045
Energy: 1.087430582732288
Energy: 0.6612670338938555
Energy: 0.5347323056376238
Energy: 0.6612670338932396
Energy: 1.399946960250797
Energy: 0.6873886703674669
Energy: 0.6379590367299122
Energy: 0.6873886703680827
Energy: 1.0458356700221039
Energy: 0.6592485528152918
Energy: 0.5175476426620832
Energy: 0.6592485528159077
Energy: 1.3229827105425556
Energy: 0.6606405841700259
Energy: 0.6312022797381193
Energy: 0.6606405841700259
Energy: 0.6843352331754398
Energy: 0.6607596747168004
Energy: 0.7668959955029544
Energy: 0.6607596747131049
Energy: 1.0178744167647615
Energy: 0.6871210988535542
Energy: 0.6379744472130435
Energy: 0.6871210988541699
Energy: 0.6290303999018204
Energy: 0.6593832493798663
Energy: 0.8505850175680706
Energy: 0.6593832493792503
Energy: 0.978592278764472
Energy: 0.662253273666406
Energy: 0.6312180799367455
Energy: 0.6622532736657901
Energy: 0.6301064919418324
Energy: 0.6586106665153151
Energy: 0.651945876916067
Energy: 0.6586106665140833
Energy: 0.567778629682795
Energy: 0.7144835126483322
Energy: 0.6300297464395314
Energy: 0.7144835126483322
Energy: 0.625443515991001
Energy: 0.6607190440356054
Energy: 1.0077122584652431
Energy: 0.6607190440349896
Energy: 0.5311344411432833
Energy: 0.660685566333185
Energy: 0.6866512764939552
Energy: 0.6606855663338009
Energy: 0.6299337856393308
Energy: 0.6623453767550918
Energy: 1.106425546417293
Energy: 0.6623453767563237

minimum gb energy = 0.5158709095995477 eV
minimum distance =  2.26364102131765 Angstroms
sigma value = 113


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

Energy: 0.019220615982276007
Energy: 0.020697688762358505
Energy: 0.9373393891331674
Energy: 0.02069768876188502
Energy: 0.6076901410458699
Energy: 0.037297013347653125
Energy: 0.03639905132506013
Energy: 0.03729701334949446
Energy: 0.019220615982276007
Energy: 0.020697688762358505
Energy: 1.8427377595483565
Energy: 0.02069768876188502
Energy: 0.6076901410463433
Energy: 0.03729701334625898
Energy: 0.03639905132182465
Energy: 0.03729701334673245
Energy: 0.019220615982276007
Energy: 0.020697688762358505
Energy: 2.263392421719823
Energy: 0.02069768876188502
Energy: 0.6076901410463433
Energy: 0.037297013347653125
Energy: 0.03639905131950983
Energy: 0.03729701334673245

minimum gb energy = 0.019220615982276007 eV
minimum distance =  2.43022650851921 Angstroms
sigma value = 1