Model name: model_name=MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450349978305028
mass=58.6934
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: 0.018146484065145463
Energy: 0.018375339067503594
Energy: 1.6582587776014406
Energy: 0.018375339067503594
Energy: 0.018375339067503594
Energy: 1.451779809308126
Energy: 0.018375339067503594
Energy: 1.451779809308126
Energy: 1.6582587776007796
Energy: 0.018375339067503594
Energy: 0.018146484065145463
Energy: 0.018375339067503594
Energy: 0.018375339067503594
Energy: 1.451779809308126
Energy: 0.018375339067503594
Energy: 1.451779809308126

minimum gb energy = 0.018146484065145463 eV
minimum distance =  2.41577135029355 Angstroms
sigma value = 1


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

Energy: 1.4473537583156313
Energy: 1.453616174715832
Energy: 1.3891303016446417
Energy: 1.4536161747150305
Energy: 1.4157301705042407
Energy: 1.4601418179835206
Energy: 1.4185759496413932
Energy: 1.460141817985124
Energy: 1.3579790651627202
Energy: 1.436984041294118
Energy: 1.3900996460106245
Energy: 1.436984041294118
Energy: 1.3962199075732482
Energy: 1.4534156825681137
Energy: 1.373349677451692
Energy: 1.4534156825681137
Energy: 1.3803854426492514
Energy: 1.4598817184812622
Energy: 1.4006706370429542
Energy: 1.4598817184820638
Energy: 1.3573460992285231
Energy: 1.6531953219103839
Energy: 1.3422726541633565
Energy: 1.6531953219095823
Energy: 1.4199619507362493
Energy: 1.436024657667716
Energy: 1.3588812350201973
Energy: 1.436024657667716
Energy: 1.27454704711328
Energy: 1.4630275442602805
Energy: 1.3394285663060768
Energy: 1.4630275442610823
Energy: 1.3733972658649047
Energy: 1.6929594442485623
Energy: 1.4287812001454414
Energy: 1.6929594442485623
Energy: 1.3530858526961969
Energy: 1.4354958388155101
Energy: 1.2650050398824175
Energy: 1.4354958388155101
Energy: 1.4332431475478304
Energy: 1.4490255128795166
Energy: 1.3734507019367121
Energy: 1.449025512878715
Energy: 1.396466973470136
Energy: 1.463358487091572
Energy: 1.3699150576651264
Energy: 1.4633584870907703
Energy: 1.4157091562420716
Energy: 1.4304370496512369
Energy: 1.4445985922665965
Energy: 1.4304370496520384
Energy: 1.3966304338701734
Energy: 1.4467605641694887
Energy: 1.3664606636247283
Energy: 1.4467605641702903
Energy: 1.3966411599724835
Energy: 1.4538778852347853
Energy: 1.390173016014686
Energy: 1.4538778852331822
Energy: 1.3967886034937176
Energy: 1.4536563761252803
Energy: 1.4155586727697165
Energy: 1.4536563761252803
Energy: 1.3899995751633323
Energy: 1.4368739650359057
Energy: 1.3197928411510451
Energy: 1.4368739650367075
Energy: 1.4186509703120518
Energy: 1.4360532292269625
Energy: 1.4408046766140867
Energy: 1.436053229226161
Energy: 1.3058788022600964
Energy: 1.459392686454746
Energy: 1.3621383233154367
Energy: 1.4593926864555478
Energy: 1.4419069749226225
Energy: 1.9162010071056585
Energy: 1.3763169184149753
Energy: 1.9162010071064601
Energy: 1.3411318982697342
Energy: 1.4370288627651568
Energy: 1.2889367428779257
Energy: 1.4370288627651568
Energy: 1.3731555643754305
Energy: 1.6423820557837592
Energy: 1.4170668931008443
Energy: 1.6423820557829576
Energy: 1.398420153386867
Energy: 1.4600814022664412
Energy: 1.3271667622374137
Energy: 1.4600814022664412
Energy: 1.3813037115852227
Energy: 1.437285655174313
Energy: 1.3568617044258438
Energy: 1.4372856551735114
Energy: 1.3584985692853524
Energy: 1.650605546247432
Energy: 1.4198023129905677
Energy: 1.6506055462482339
Energy: 1.3830147165395514
Energy: 1.4629405375168316
Energy: 1.345848509104262
Energy: 1.4629405375176332
Energy: 1.405030901998114
Energy: 1.6424021074455977
Energy: 1.3733321109158534
Energy: 1.642402107447201
Energy: 1.3380793945100173
Energy: 1.4328147701833147
Energy: 1.3921531321401683
Energy: 1.4328147701833147
Energy: 1.4145998670324111
Energy: 1.4531345218434704
Energy: 1.408124632939452
Energy: 1.4531345218434704
Energy: 1.5314198508861494
Energy: 1.454919230179327
Energy: 1.4020621761083514
Energy: 1.4549192301801286
Energy: 1.419760890251838
Energy: 1.4441259826689108
Energy: 1.4154188651084227
Energy: 1.4441259826689108
Energy: 1.3939059314391842
Energy: 1.4325600884085985
Energy: 1.3970214809686667
Energy: 1.432560088407797
Energy: 1.3806806730405652
Energy: 1.4774671005624547
Energy: 1.3762232165475121
Energy: 1.4774671005632563

minimum gb energy = 1.2650050398824175 eV
minimum distance =  2.23587423718424 Angstroms
sigma value = 1


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

Energy: 1.7322458011292197
Energy: 1.5583199718092675
Energy: 1.4939502586945004
Energy: 1.5583199718101817
Energy: 1.458466964727073
Energy: 1.5330456529590597
Energy: 1.476565743435409
Energy: 1.5330456529590597
Energy: 1.4022444936924678
Energy: 1.5616320605174063
Energy: 1.4510723041281572
Energy: 1.5616320605164924
Energy: 1.4223791854118668
Energy: 1.463043321515462
Energy: 1.4011294583723666
Energy: 1.463043321516376
Energy: 1.4224915731457566
Energy: 1.527232225294289
Energy: 1.4406156936107781
Energy: 1.5272322252933752
Energy: 1.4865677035992144
Energy: 1.5270149349665028
Energy: 1.4434620305712762
Energy: 1.5270149349692446
Energy: 1.4644607341116609
Energy: 1.6491323885380347
Energy: 1.3939047872738117
Energy: 1.6491323885407767
Energy: 1.3161612621431351
Energy: 1.5616183682141986
Energy: 1.3922147658299329
Energy: 1.5616183682141986
Energy: 1.4165491388157399
Energy: 2.0367675114009547
Energy: 1.5022457158821065
Energy: 2.0367675114000408
Energy: 1.4414523270608193
Energy: 1.5617249019289086
Energy: 1.3814884226774082
Energy: 1.5617249019279946
Energy: 1.464173647527628
Energy: 1.5088106026421555
Energy: 1.4767670480456148
Energy: 1.5088106026430697
Energy: 1.3672452978085292
Energy: 1.5403578878404156
Energy: 1.4540353810891549
Energy: 1.5403578878422433
Energy: 1.5113450479315342
Energy: 1.5218493621928846
Energy: 1.4503354304632459
Energy: 1.5218493621937985
Energy: 1.477185369919533
Energy: 1.5221136553973935
Energy: 1.4501475707668634
Energy: 1.5221136553992216
Energy: 1.3673191120975519
Energy: 1.5405005330393473
Energy: 1.4464431179833015
Energy: 1.5405005330384336
Energy: 1.4643252697299416
Energy: 1.5088280519099626
Energy: 1.4765865908957647
Energy: 1.5088280519108765
Energy: 1.441455145555139
Energy: 1.5617181317300668
Energy: 1.4027870605626862
Energy: 1.5617181317309807
Energy: 1.4163565690281723
Energy: 2.036510013594889
Energy: 1.502101469904753
Energy: 2.036510013594889
Energy: 1.3162120005115219
Energy: 1.5616572141959106
Energy: 1.3944122388049285
Energy: 1.5616572141977385
Energy: 1.4647824727537928
Energy: 1.6489439578703744
Energy: 1.3957725498786608
Energy: 1.6489439578703744
Energy: 1.4866903396328257
Energy: 1.526709795844886
Energy: 1.4327381725699604
Energy: 1.526709795844886
Energy: 1.4225455194051744
Energy: 1.5268276615099377
Energy: 1.4613974790691027
Energy: 1.5268276615090237
Energy: 1.4222942122229911
Energy: 1.4631440777690712
Energy: 1.421208324292536
Energy: 1.463144077768157
Energy: 1.4020832114191801
Energy: 1.561848396474197
Energy: 1.4560277494681522
Energy: 1.5618483964723688
Energy: 1.4583731226000927
Energy: 1.5330277136012493
Energy: 1.4763341234966565
Energy: 1.5330277136012493
Energy: 1.7322458011292197
Energy: 1.5583199718092675
Energy: 1.493950255641183
Energy: 1.5583199718101817
Energy: 1.458466964726159
Energy: 1.5330456529590597
Energy: 1.476565743434495
Energy: 1.5330456529590597
Energy: 1.4022444936924678
Energy: 1.5616320605174063
Energy: 1.4602037848325828
Energy: 1.5616320605164924
Energy: 1.4223791854118668
Energy: 1.463043321516376
Energy: 1.4011294583723666
Energy: 1.46304332151729

minimum gb energy = 1.3161612621431351 eV
minimum distance =  2.20330828124875 Angstroms
sigma value = 25


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

Energy: 1.5567081437497152
Energy: 1.6250160153649642
Energy: 1.5783340703605675
Energy: 1.6250160153649642
Energy: 1.5537535782138514
Energy: 1.5943285565407619
Energy: 1.5022902442273738
Energy: 1.5943285565407619
Energy: 1.4749355579380166
Energy: 1.68643381507959
Energy: 1.5057354796524096
Energy: 1.68643381507959
Energy: 1.4964815233441435
Energy: 1.545836923595377
Energy: 1.4518758431580336
Energy: 1.545836923595377
Energy: 1.4533509428097229
Energy: 1.631247076898406
Energy: 1.5392194729653321
Energy: 1.6312470768994682
Energy: 1.5750458133774405
Energy: 1.6863813385636592
Energy: 1.7004876837004397
Energy: 1.6863813385636592
Energy: 1.5602750666478937
Energy: 1.7633262032466486
Energy: 1.4985420358444954
Energy: 1.7633262032466486
Energy: 1.6304129174624846
Energy: 1.631041746155015
Energy: 1.3953263269731875
Energy: 1.6310417461539526
Energy: 1.497939191954683
Energy: 1.5753093107702814
Energy: 1.5518841118688051
Energy: 1.5753093107713438
Energy: 1.524828262930498
Energy: 1.685958741217265
Energy: 1.4366777708495924
Energy: 1.685958741217265
Energy: 1.534259375132281
Energy: 1.6247346182334639
Energy: 1.499672664160258
Energy: 1.6247346182334639
Energy: 1.5004364921693096
Energy: 1.6246134065704152
Energy: 1.499594444177158
Energy: 1.6246134065704152
Energy: 1.50551541289059
Energy: 1.6166043505541499
Energy: 1.4368019247410007
Energy: 1.6166043505541499
Energy: 1.4985374552106017
Energy: 1.5811030469012246
Energy: 1.5599659905836059
Energy: 1.5811030469012246
Energy: 1.442911855282205
Energy: 1.6327952825878187
Energy: 1.3928987090683722
Energy: 1.6327952825878187
Energy: 1.5539486020126678
Energy: 1.763744680044254
Energy: 1.4550128905339734
Energy: 1.7637446797043868
Energy: 1.3682831601418048
Energy: 1.686496552454956
Energy: 1.3682736669143776
Energy: 1.6864965524538935
Energy: 1.4520172142594285
Energy: 1.5934034278986133
Energy: 1.5377546331629908
Energy: 1.5934034278986133
Energy: 1.4947509009734685
Energy: 1.6265251967902343
Energy: 1.4547377753386184
Energy: 1.6265251967902343
Energy: 1.5820878186757192
Energy: 1.6860245226561656
Energy: 1.5064836093448177
Energy: 1.6860245226561656
Energy: 1.5156354363622089
Energy: 1.586042809740538
Energy: 1.5001724072963936
Energy: 1.586042809740538
Energy: 1.5655221004811175
Energy: 1.6256926743399098
Energy: 1.569134170291945
Energy: 1.6256926743399098
Energy: 1.5528991060122055
Energy: 1.6042736507851494
Energy: 1.5050814182097976
Energy: 1.604273650784087
Energy: 1.4735165914073813
Energy: 1.684971801839081
Energy: 1.524412665301048
Energy: 1.684971801839081
Energy: 1.4994873578665227
Energy: 1.5464043136829966
Energy: 1.451898395243427
Energy: 1.5464043136829966

minimum gb energy = 1.3682736669143776 eV
minimum distance =  2.20104223595669 Angstroms
sigma value = 9


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

Energy: 1.6587821817903403
Energy: 1.6598526214372025
Energy: 1.636454795366367
Energy: 1.6598526214384408
Energy: 1.5498245970972957
Energy: 1.6922920162032191
Energy: 1.5638111668359727
Energy: 1.6922920162032191
Energy: 1.5501235134303997
Energy: 1.6161603421856285
Energy: 1.590947856475183
Energy: 1.61616034042834
Energy: 1.8577180208126738
Energy: 1.6046360156724657
Energy: 1.4725332314199195
Energy: 1.6046360156750008
Energy: 1.6739782168461723
Energy: 1.685987710095394
Energy: 1.7823525783972571
Energy: 1.6859877100941263
Energy: 1.4144345366672482
Energy: 1.7045608448624823
Energy: 1.5977972984512627
Energy: 1.7045608448599472
Energy: 1.5751900579234803
Energy: 1.5965784775101388
Energy: 1.4730264723498128
Energy: 1.5965784775101388
Energy: 1.5676817642233205
Energy: 1.704450915287436
Energy: 1.458248163465664
Energy: 1.7044509152887035
Energy: 1.5759857523051612
Energy: 1.6924066572732324
Energy: 1.654975020812273
Energy: 1.692406657271965
Energy: 1.6006330570561558
Energy: 1.6585155928566582
Energy: 1.597374559773069
Energy: 1.6585155928566582
Energy: 1.4965422601167255
Energy: 1.701516722890267
Energy: 1.5832610022422984
Energy: 1.701516722890267
Energy: 1.7089863547443942
Energy: 1.6664825599888031
Energy: 1.4726209615739065
Energy: 1.6664825599888031
Energy: 1.4141945642566953
Energy: 1.7027763981024888
Energy: 1.5261475215196056
Energy: 1.7027763981024888
Energy: 1.569487074053677
Energy: 2.283688264141631
Energy: 1.5629235577567024
Energy: 2.283688264140363
Energy: 1.4142221468613654
Energy: 1.6161549364423744
Energy: 1.5672627179409888
Energy: 1.6161549364423744
Energy: 1.7095429545767449
Energy: 1.6664198434839463
Energy: 1.4726215377508134
Energy: 1.6664198434826787
Energy: 1.494872124804506
Energy: 1.7014364217756333
Energy: 1.55695713049427
Energy: 1.7014364217730984
Energy: 1.6007667170549407
Energy: 1.658766445616005
Energy: 1.5972459263910435
Energy: 1.658766445616005
Energy: 1.5760052315604638
Energy: 1.6924490791750735
Energy: 1.6548909546563406
Energy: 1.6924490791725673
Energy: 1.5676565030870226
Energy: 1.7042767264815974
Energy: 1.457919270094808
Energy: 1.7042767264815974
Energy: 1.5751935125244996
Energy: 1.596792515223174
Energy: 1.4730999819929655
Energy: 1.596792515223174

minimum gb energy = 1.4141945642566953 eV
minimum distance =  2.24649850965193 Angstroms
sigma value = 25


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

Energy: 1.4969739236858104
Energy: 1.8215758954047836
Energy: 1.786481361493979
Energy: 1.8215758954047836
Energy: 1.4638898663613271
Energy: 1.66242819324503
Energy: 1.4390716230293152
Energy: 1.6624281932465979
Energy: 1.6637880388741761
Energy: 1.8456942033589203
Energy: 1.4392854250188583
Energy: 1.8456942033589203
Energy: 1.723077341427531
Energy: 1.653237255496189
Energy: 1.6549429191466796
Energy: 1.6532372554977566
Energy: 1.6524232005086708
Energy: 1.4631843112908334
Energy: 1.503938954786881
Energy: 1.4631843112908334
Energy: 1.4395639699286502
Energy: 1.889853623024254
Energy: 1.6626590723855217
Energy: 1.889853623024254
Energy: 1.502412932907537
Energy: 1.6810734403890248
Energy: 1.6634220600871756
Energy: 1.6810734403890248
Energy: 1.660995340450204
Energy: 1.8255472352493571
Energy: 1.5017874527790698
Energy: 1.8255472352493571
Energy: 1.4393666287388018
Energy: 1.6623054668258204
Energy: 1.4650846060887073
Energy: 1.6623054668258204
Energy: 1.7113503089356397
Energy: 1.7051124839340448
Energy: 1.663029975412889
Energy: 1.7051124839340448
Energy: 1.5387108725024252
Energy: 1.8350555604305834
Energy: 1.8426449786738284
Energy: 1.8350555604305834
Energy: 1.4393454650574142
Energy: 1.6245722563680294
Energy: 1.7123347570204541
Energy: 1.624572256366462
Energy: 1.633477321980342
Energy: 1.845577879242353
Energy: 1.4391237656602798
Energy: 1.845577879242353
Energy: 1.4395291908113412
Energy: 1.6813260260282021
Energy: 1.7244140448618532
Energy: 1.6813260260282021
Energy: 1.50228808401557
Energy: 1.8232262064868785
Energy: 1.8582284852779218
Energy: 1.8232262064868785
Energy: 1.4639580444228064
Energy: 1.6640944119964762
Energy: 1.4443831426858387
Energy: 1.664094411998044
Energy: 1.439629649478984
Energy: 1.56951505462181
Energy: 1.710639328827297
Energy: 1.56951505462181

minimum gb energy = 1.4390716230293152 eV
minimum distance =  2.28752579522063 Angstroms
sigma value = 17


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

Energy: 1.687217507228515
Energy: 1.6968576608133834
Energy: 1.9013352781834107
Energy: 1.6968576608133834
Energy: 1.7201139097248093
Energy: 1.5706732745047236
Energy: 1.4773677693681406
Energy: 1.5706732745047236
Energy: 1.8488177650650963
Energy: 1.8159696869525495
Energy: 1.4765209121016867
Energy: 1.8159696869516615
Energy: 1.613702046908146
Energy: 1.8365171953217956
Energy: 1.6693014999487044
Energy: 1.8365171953217956
Energy: 1.7450938655443549
Energy: 1.7438932632065953
Energy: 1.5835298550373842
Energy: 1.7438932632065953
Energy: 1.501683754006964
Energy: 1.668369058624288
Energy: 1.6978107851761208
Energy: 1.6683690586234003
Energy: 1.5750940284647836
Energy: 1.6579543621100439
Energy: 1.5757491871824227
Energy: 1.6579543621091561
Energy: 1.6933911494778737
Energy: 1.6684754507245416
Energy: 1.4994360758596699
Energy: 1.6684754507112252
Energy: 1.5028224963761991
Energy: 1.834671357259416
Energy: 1.7121633066132975
Energy: 1.8346713572585285
Energy: 1.846842931106048
Energy: 1.6402240613237447
Energy: 1.4777774336783933
Energy: 1.6402240613228567
Energy: 1.482622006502476
Energy: 1.711136772802829
Energy: 1.8575726222210633
Energy: 1.711136772803717
Energy: 1.5925590973038433
Energy: 1.6555362531962698
Energy: 1.5928938569154254
Energy: 1.6555362531953821
Energy: 1.7211360863848209
Energy: 1.6986431044598507
Energy: 1.6617204530593614
Energy: 1.6986431044598507
Energy: 1.4767487499599037
Energy: 1.8483109857588107
Energy: 1.7082826162023625
Energy: 1.8483109857579227
Energy: 1.6294507083318175
Energy: 1.6576922161079322
Energy: 1.656499196736243
Energy: 1.6576922161079322
Energy: 1.7077427053553569
Energy: 1.6797234484953671
Energy: 1.69280807712495
Energy: 1.679723448490928
Energy: 1.5752114246177844
Energy: 1.7297689949227262
Energy: 1.8681805388000043
Energy: 1.7297689949218382
Energy: 1.6653989197524786
Energy: 1.6787624672336345
Energy: 1.5023765484127947
Energy: 1.6787624672336345
Energy: 1.571416077067689
Energy: 1.7301450444408577
Energy: 1.7065958246353532
Energy: 1.7301450444399697
Energy: 1.5776969069405196
Energy: 1.8353832440359323
Energy: 1.632208400827271
Energy: 1.8353832440359323
Energy: 1.5786556557500468
Energy: 1.8155449914364954
Energy: 1.6896302166463273
Energy: 1.8155449913779418
Energy: 1.5769277546891058
Energy: 1.7672243087671862
Energy: 1.840906269635102
Energy: 1.7672243087671862
Energy: 1.6880494932404506
Energy: 1.8317900297102891
Energy: 1.4764423262142095
Energy: 1.8317900297085135
Energy: 1.5943594066098894
Energy: 1.6575456831748743
Energy: 1.6917325629309992
Energy: 1.6575456831748743
Energy: 1.6657027079382207
Energy: 1.8154646225067166
Energy: 1.707258638136389
Energy: 1.8154646225067166
Energy: 1.7713179971945003
Energy: 1.8310945383974688
Energy: 1.4782826368703736
Energy: 1.8310945383974688
Energy: 1.5781974654693653
Energy: 1.780345837354915
Energy: 1.886353067447976
Energy: 1.780345837354915
Energy: 1.697685852125034
Energy: 1.6801722921243645
Energy: 1.7019768563733217
Energy: 1.680172292122589
Energy: 1.8461525524837932
Energy: 1.852411361339555
Energy: 1.5791320415860215
Energy: 1.852411361339555
Energy: 1.4996890302602868
Energy: 1.7309275618785993
Energy: 1.6672667378477597
Energy: 1.7309275618785993

minimum gb energy = 1.4764423262142095 eV
minimum distance =  2.17938680006747 Angstroms
sigma value = 53


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

Energy: 1.3922856187230606
Energy: 1.3919440306930737
Energy: 1.8447524594238918
Energy: 1.3919440306930737
Energy: 1.7034183774847707
Energy: 1.5685849705763826
Energy: 1.5218390073138608
Energy: 1.5685849705743389
Energy: 1.3932099976887102
Energy: 1.3916819731619747
Energy: 1.64224863395623
Energy: 1.3916819731619747
Energy: 1.3931103249326735
Energy: 1.3915886863555067
Energy: 1.5692143294383707
Energy: 1.391588686353463
Energy: 1.7034625902616742
Energy: 1.5685505688063606
Energy: 1.7020224500043288
Energy: 1.5685505688063606
Energy: 1.3922856187230606
Energy: 1.3919440306930737
Energy: 1.9630483971968256
Energy: 1.3919440306951174
Energy: 1.7034182804927998
Energy: 1.5685849705763826
Energy: 1.7013505795221344
Energy: 1.5685849705743389
Energy: 1.3932099976887102
Energy: 1.3916819731619747
Energy: 1.6422485462064274
Energy: 1.3916819731619747
Energy: 1.3931103249326735
Energy: 1.3915886863555067
Energy: 1.7012977436548564
Energy: 1.3915886863555067
Energy: 1.7034625950952476
Energy: 1.5685505688063606
Energy: 1.8138912816249664
Energy: 1.5685505688063606
Energy: 1.3922856187230606
Energy: 1.3919440306930737
Energy: 1.9630483971968256
Energy: 1.3919440306930737
Energy: 1.703418208524596
Energy: 1.5685849705763826
Energy: 1.7013505795221344
Energy: 1.5685849705763826
Energy: 1.3932099976887102
Energy: 1.3916819731619747
Energy: 1.64224855388785
Energy: 1.3916819731619747

minimum gb energy = 1.391588686353463 eV
minimum distance =  2.26579094656707 Angstroms
sigma value = 9


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

Energy: 1.547591223827973
Energy: 1.8260251770137146
Energy: 1.9789860559502088
Energy: 1.826025177012958
Energy: 1.9075037397647343
Energy: 1.614374873225932
Energy: 1.5568319262222028
Energy: 1.6143748732244192
Energy: 1.5395552199812292
Energy: 1.527986094336461
Energy: 1.571712569922711
Energy: 1.5279860943372174
Energy: 1.7595613647936696
Energy: 1.8840747357100671
Energy: 1.6366569817094845
Energy: 1.8840747357115801
Energy: 1.76307366756234
Energy: 1.6083719827294802
Energy: 1.5468454919461814
Energy: 1.6083719827302367
Energy: 1.527526789401156
Energy: 1.527055883450085
Energy: 1.7789681251422962
Energy: 1.527055883450085
Energy: 2.052138796093487
Energy: 1.6004144257760322
Energy: 1.587320269348642
Energy: 1.6004144257760322
Energy: 1.5540597370452682
Energy: 1.8896179320255695
Energy: 1.7845681031356935
Energy: 1.889617932024813
Energy: 1.5426667107687781
Energy: 1.714454374814367
Energy: 1.5265668330128508
Energy: 1.7144543748151233
Energy: 1.53968015572923
Energy: 1.6128476959863711
Energy: 1.5595325749058555
Energy: 1.6128476959871274
Energy: 1.5564193451463513
Energy: 1.6937483283496706
Energy: 1.9788332664343269
Energy: 1.6937483283277335
Energy: 1.7964422870785266
Energy: 1.8243335458387142
Energy: 1.549863268952783
Energy: 1.8243335459256378
Energy: 1.5432072398653915
Energy: 1.6856289392499242
Energy: 1.8684825176878386
Energy: 1.6856289392484112
Energy: 1.78871029462325
Energy: 1.9195091651463956
Energy: 1.5578397138239795
Energy: 1.919509165147152
Energy: 1.5615332930044443
Energy: 1.762401723645448
Energy: 1.767869993253138
Energy: 1.762401723645448
Energy: 1.545966062441977
Energy: 1.9022862217172105
Energy: 1.7626884676471317
Energy: 1.9022862217172105
Energy: 1.6990907369919526
Energy: 1.7616778483841877
Energy: 1.5615610792038284
Energy: 1.7616778483857007
Energy: 1.5904748327598888
Energy: 1.6006161350342232
Energy: 1.8405473429827455
Energy: 1.6006161350357362
Energy: 1.818731129799501
Energy: 1.7680581767922456
Energy: 1.5308287281108452
Energy: 1.7680581767914891
Energy: 1.5482186970991552
Energy: 1.6345386173492773
Energy: 1.7261344405966998
Energy: 1.634538617348521
Energy: 1.768887331553126
Energy: 1.8811468386532897
Energy: 1.7600485764471727
Energy: 1.8811468386532897
Energy: 1.7303689295087452
Energy: 1.7422439315003249
Energy: 1.5400070818854026
Energy: 1.7422439314995686
Energy: 1.5271106757114445
Energy: 1.7674934467103915
Energy: 1.543127437228516
Energy: 1.767493446709635
Energy: 1.9723390448670621
Energy: 1.6892583414310844
Energy: 1.5545097896045283
Energy: 1.6892583414310844
Energy: 1.5574748449624387
Energy: 1.8291759657321764
Energy: 1.9501013242680463
Energy: 1.8291759657321764
Energy: 1.6664435200125547
Energy: 1.5279737850720463
Energy: 1.5392041190250447
Energy: 1.5279737850720463
Energy: 1.6947642440007875
Energy: 1.748399151813047
Energy: 1.7431047371272244
Energy: 1.7483991518009439
Energy: 1.5478900708967742
Energy: 1.8844229300281938
Energy: 1.7440727136876153
Energy: 1.8844229300289506
Energy: 1.6584656798859143
Energy: 1.527141389696045
Energy: 1.5381407720380997
Energy: 1.527141389696045
Energy: 1.5569404791389683
Energy: 1.8289124523633078
Energy: 1.9519538746195213
Energy: 1.828912452361795
Energy: 1.8738588609895068
Energy: 1.6914640011340205
Energy: 1.5530536897100193
Energy: 1.6914640011340205
Energy: 1.5275220082004797
Energy: 1.6040144280636046
Energy: 1.5395481819988095
Energy: 1.6040144280620916
Energy: 1.557148463684343
Energy: 1.7500273433789908
Energy: 1.538660789225941
Energy: 1.7500273433782343
Energy: 1.7751657545154353
Energy: 1.8840231426927316
Energy: 1.7593563293569248
Energy: 1.8840231426927316
Energy: 1.5463591738188145
Energy: 1.80761958601385
Energy: 2.072237928925163
Energy: 1.8076195860146065

minimum gb energy = 1.5265668330128508 eV
minimum distance =  2.20449620349978 Angstroms
sigma value = 73


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

Energy: 1.675557544723065
Energy: 1.680870740422175
Energy: 1.8827541323060006
Energy: 1.6808707404317762
Energy: 1.8338684465521584
Energy: 1.676288640301354
Energy: 1.5400277416414219
Energy: 1.6762886403001538
Energy: 1.5905685266412426
Energy: 1.5388383776856125
Energy: 1.5466671720943572
Energy: 1.5388383776856125
Energy: 1.563422733616732
Energy: 1.7797620592970427
Energy: 1.6772536291120563
Energy: 1.7797620592970427
Energy: 1.6752833725759684
Energy: 1.6775615995152806
Energy: 1.5972024399768487
Energy: 1.6775615995152806
Energy: 1.6038956893925753
Energy: 1.8294893169175135
Energy: 1.8861764970555681
Energy: 1.8294893169175135
Energy: 2.0110019113254656
Energy: 1.7645012244379037
Energy: 1.6283968380578953
Energy: 1.7645012244379037
Energy: 1.5605234029536559
Energy: 1.5386964106167567
Energy: 1.9044491027273636
Energy: 1.5386964106167567
Energy: 1.9520306087301564
Energy: 1.5396081403281203
Energy: 1.5387657440133318
Energy: 1.5396081403281203
Energy: 1.5902954556025186
Energy: 1.6849445295182786
Energy: 1.5920915069959174
Energy: 1.6849445295182786
Energy: 1.5578824874999377
Energy: 1.5389210574178154
Energy: 1.8865071626084624
Energy: 1.5389210574190155
Energy: 1.8344359023744448
Energy: 1.7781416352883896
Energy: 1.5639345143583336
Energy: 1.7781416352883896
Energy: 1.5929595978098599
Energy: 1.6384765281282887
Energy: 1.87061383354297
Energy: 1.6384765281282887
Energy: 1.8791900850300827
Energy: 1.7601188187460732
Energy: 1.600230683300777
Energy: 1.7601188187460732
Energy: 1.5677374808321167
Energy: 1.8319603900901067
Energy: 1.9481449240670392
Energy: 1.8319603900912795
Energy: 1.884450107872546
Energy: 1.541749813931531
Energy: 1.5610436299485513
Energy: 1.5417498139327313
Energy: 1.6694496626095654
Energy: 1.6761064647340829
Energy: 1.5965129382192218
Energy: 1.6761064647340829
Energy: 1.669753640925648
Energy: 1.7871286888962035
Energy: 1.5965315067832462
Energy: 1.7871286888962035
Energy: 1.8203192425314494
Energy: 1.5387704963230593
Energy: 1.5579582648938979
Energy: 1.5387704963218591
Energy: 1.6124289006057053
Energy: 1.7251762027044377
Energy: 2.0056864131580334
Energy: 1.7251762027044377
Energy: 1.9232563169150707
Energy: 1.8307928032243632
Energy: 1.6012579485454579
Energy: 1.8307928032243632
Energy: 1.6770583651219808
Energy: 1.6908400800345673
Energy: 1.7603817637521981
Energy: 1.6908400800345673

minimum gb energy = 1.5386964106167567 eV
minimum distance =  2.21807857467288 Angstroms
sigma value = 7


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

Energy: 1.5774331209799266
Energy: 1.5780085681751619
Energy: 1.922925270150289
Energy: 1.5780085681760105
Energy: 1.9703443489071875
Energy: 1.6970840761975383
Energy: 1.597953633757328
Energy: 1.6970840761949926
Energy: 1.5630364027059949
Energy: 1.8184987118904528
Energy: 1.638809462411189
Energy: 1.8184987118896043
Energy: 1.6562796202650538
Energy: 1.6720011564905608
Energy: 1.6128426004888845
Energy: 1.6720011564905608
Energy: 1.5839346794330096
Energy: 1.678060547118419
Energy: 1.568842458221734
Energy: 1.678060547118419
Energy: 1.566697980812359
Energy: 1.577630366582373
Energy: 1.922226481304848
Energy: 1.577630366582373
Energy: 1.880554807473847
Energy: 1.8652773017658268
Energy: 1.6189943371249378
Energy: 1.8652773017649777
Energy: 1.566343974418913
Energy: 1.5781740439996605
Energy: 2.046608138180903
Energy: 1.5781740439988117
Energy: 1.8327381852428604
Energy: 1.6530141991244993
Energy: 1.6103733769531725
Energy: 1.6530141991219536
Energy: 1.5809094000932733
Energy: 1.6738735968556144
Energy: 1.7566140598775006
Energy: 1.6738735968556144
Energy: 1.6950030096889488
Energy: 1.8200067547907728
Energy: 1.6951109117050258
Energy: 1.8200067547907728
Energy: 1.5788806874058412
Energy: 1.678504940632221
Energy: 1.6579432290945535
Energy: 1.6785049406305237
Energy: 1.5777780355513997
Energy: 1.5789835912213486
Energy: 1.6600082243617784
Energy: 1.5789835912221974
Energy: 1.6394698431887587
Energy: 1.5665368010306782
Energy: 1.6391715762949137
Energy: 1.566536801033224
Energy: 1.5779587868901759
Energy: 1.8781273199218236
Energy: 1.9321813925536901
Energy: 1.8781273199218236
Energy: 2.0090679228028523
Energy: 1.5659390302319163
Energy: 1.5830104689455375
Energy: 1.5659390302319163
Energy: 1.5975950247513595
Energy: 1.6784570556313307
Energy: 1.8224873780751203
Energy: 1.6784570556287846
Energy: 1.569157447811341
Energy: 1.8133914647433231
Energy: 1.6575558146567175
Energy: 1.8133914647441718
Energy: 1.597246237777697
Energy: 1.577723463135847
Energy: 1.672385444364379
Energy: 1.5777234631366959
Energy: 1.5801481035782006
Energy: 1.655730453503961
Energy: 1.6718244638402464
Energy: 1.6557304535031125
Energy: 1.6961715573353617
Energy: 1.8225263578965143
Energy: 1.6095914754729448
Energy: 1.8225263578956659
Energy: 1.5914340317407845
Energy: 1.5784155747298558
Energy: 1.8312705264488478
Energy: 1.5784155747298558
Energy: 1.9396137427646563
Energy: 1.7705871313231039
Energy: 1.6055787134194452
Energy: 1.7705871313239523
Energy: 1.5832216924594547
Energy: 1.5788085013616653
Energy: 2.0202042049401268
Energy: 1.5788085013650213
Energy: 1.6688780464914652
Energy: 1.6561210245867208
Energy: 1.586111884889504
Energy: 1.6561210245858722
Energy: 1.6328329941254187
Energy: 1.8177053957140261
Energy: 1.6463931814440942
Energy: 1.8177053957157236
Energy: 1.583372174602689
Energy: 1.6735704218000893
Energy: 1.6006959141262729
Energy: 1.673570421800938
Energy: 1.6343736288562254
Energy: 1.6785294799875705
Energy: 1.6126582826134708
Energy: 1.678529479988419
Energy: 1.5619527388462764
Energy: 1.5794835595931707
Energy: 1.8100059445263372
Energy: 1.5794835595923218
Energy: 1.8153254567584303
Energy: 1.624255483378277
Energy: 1.5980651675537216
Energy: 1.6242554833748821
Energy: 1.562104180717752
Energy: 1.5787596428318502
Energy: 1.83714659137873
Energy: 1.5787596428352446

minimum gb energy = 1.5619527388462764 eV
minimum distance =  2.20314575688184 Angstroms
sigma value = 29


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

Energy: 1.5211026229988527
Energy: 1.4833340635368708
Energy: 1.712522486558599
Energy: 1.4833340635368708
Energy: 1.6720452913795925
Energy: 1.5225444343710475
Energy: 1.5893137105747033
Energy: 1.5225444343710475
Energy: 1.6019447928006028
Energy: 1.5758340211838981
Energy: 1.6014253098273383
Energy: 1.575834021183635
Energy: 1.5192853952776766
Energy: 1.4535002361607916
Energy: 1.6444640067690905
Energy: 1.453500236161087
Energy: 1.5216337492333913
Energy: 1.5362559973361805
Energy: 1.6541091056190804
Energy: 1.5362559973361805
Energy: 1.6015200172305972
Energy: 1.5765984193654778
Energy: 1.601492106259933
Energy: 1.5765984193657734
Energy: 1.5536751459224196
Energy: 1.536518433846045
Energy: 1.521519781558473
Energy: 1.5365184338463407
Energy: 1.6443577697653728
Energy: 1.4536459546645262
Energy: 1.5193802910666143
Energy: 1.4536459546645262
Energy: 1.601364502333515
Energy: 1.5757899262500594
Energy: 1.6720291220232713
Energy: 1.5757899262500594

minimum gb energy = 1.4535002361607916 eV
minimum distance =  2.26144676441157 Angstroms
sigma value = 5


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

Energy: 1.4991943600963722
Energy: 1.5085050546258831
Energy: 1.7430751645557758
Energy: 1.5085050546266847
Energy: 1.7081911121003497
Energy: 1.4785451514527275
Energy: 1.5017676588772588
Energy: 1.4785451514551324
Energy: 1.4778043385455928
Energy: 1.4970999817785964
Energy: 1.73306796016729
Energy: 1.4970999817777946
Energy: 1.4818430536146348
Energy: 1.5687629168374075
Energy: 1.4731546198440584
Energy: 1.5687629168382091
Energy: 1.4787226508744051
Energy: 1.5753467979631501
Energy: 1.6872445352507566
Energy: 1.5753467979647533
Energy: 1.5688122692733233
Energy: 1.5099846248349746
Energy: 1.4537823803908474
Energy: 1.5099846248357762
Energy: 1.4530826472582463
Energy: 1.5731054716498623
Energy: 1.4710504459016722
Energy: 1.5731054716498623
Energy: 1.4640134149947126
Energy: 1.5087778865138766
Energy: 1.4811026429190608
Energy: 1.5087778865138766
Energy: 1.46539715466614
Energy: 1.5728985686078754
Energy: 1.4744178722595238
Energy: 1.5728985686086772
Energy: 1.469119439707024
Energy: 1.5738078770147905
Energy: 1.4958978019319777
Energy: 1.5738078770147905
Energy: 1.5081077914981085
Energy: 1.5093829975347628
Energy: 1.4787442535955233
Energy: 1.5093829975347628
Energy: 1.4860029013829466
Energy: 1.5815788877183508
Energy: 1.574867133123826
Energy: 1.5815788877191526
Energy: 1.5703416992375259
Energy: 1.5085073823281592
Energy: 1.5142781307409425
Energy: 1.5085073823281592
Energy: 1.4895741055187726
Energy: 1.5095296940515142
Energy: 1.5207781225277996
Energy: 1.5095296940515142
Energy: 1.5537795169924904
Energy: 1.4658142379466417
Energy: 1.4787822646080973
Energy: 1.46581423794584
Energy: 1.4711830035152993
Energy: 1.4971888160744213
Energy: 1.7247520730041517
Energy: 1.4971888160760245
Energy: 1.714530650381
Energy: 1.4900097414984863
Energy: 1.4981227993018598
Energy: 1.490009741496883
Energy: 1.4763607754703316
Energy: 1.5083818216318774
Energy: 1.8750650221926293
Energy: 1.508381821632679
Energy: 1.4756030502707516
Energy: 1.576821451206847
Energy: 1.4566641504811775
Energy: 1.5768214512076486
Energy: 1.4644567072490833
Energy: 1.6489955620768715
Energy: 1.4806617184184994
Energy: 1.6489955620776733
Energy: 1.479787797681709
Energy: 1.5647210314487296
Energy: 1.4690592227118509
Energy: 1.5647210314487296
Energy: 1.5061873070060892
Energy: 1.5735858022177065
Energy: 1.465915825376334
Energy: 1.5735858022169047
Energy: 1.480661061361653
Energy: 1.5087534575655415
Energy: 1.4741929886236094
Energy: 1.5087534575671446
Energy: 1.5090780867324576
Energy: 1.5176095113626824
Energy: 1.480200560201889
Energy: 1.5176095113723025
Energy: 1.5073438192314779
Energy: 1.5008258640333445
Energy: 1.478752868244391
Energy: 1.5008258640405594
Energy: 1.495501713300076
Energy: 1.5088441359710285
Energy: 1.4793874929475366
Energy: 1.508844135972632
Energy: 1.4806854506167233
Energy: 1.5561938574744691
Energy: 1.5514072665338514
Energy: 1.5561938574752707
Energy: 1.75054364770797
Energy: 1.5780032856177129
Energy: 1.4713012535198438
Energy: 1.5780032856161095
Energy: 1.485826461681665
Energy: 1.4788614736721029
Energy: 1.5143453711608454
Energy: 1.478861473671301
Energy: 1.877822296662145
Energy: 1.507982218330661
Energy: 1.476387503550529
Energy: 1.507982218330661
Energy: 1.4611768811450916
Energy: 1.4815528533685296
Energy: 1.6434681304391554
Energy: 1.4815528533685296
Energy: 1.690029914217664
Energy: 1.5702037534250426
Energy: 1.475832035002219
Energy: 1.5702037534250426
Energy: 1.4740648957616012
Energy: 1.5685181011056901
Energy: 1.458768200421447
Energy: 1.5685181011064917

minimum gb energy = 1.4530826472582463 eV
minimum distance =  2.20156365124719 Angstroms
sigma value = 1


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

Energy: 1.4495854417574603
Energy: 1.4495008718685896
Energy: 1.7210806590572612
Energy: 1.4495008718674809
Energy: 1.5121355667047134
Energy: 1.4020760473100573
Energy: 1.4279101317101934
Energy: 1.4020760473100573
Energy: 1.3948885426710973
Energy: 1.4500437810441251
Energy: 1.6384551930828497
Energy: 1.4500437810441251
Energy: 1.6966426323587844
Energy: 1.5296367100570594
Energy: 1.4098309098369501
Energy: 1.5296367100581678
Energy: 1.395341227690261
Energy: 1.4485198491190407
Energy: 1.6870845426344028
Energy: 1.4485198491190407
Energy: 1.3962163975431063
Energy: 1.5296099522899789
Energy: 1.4099928466739773
Energy: 1.5296099522899789
Energy: 1.3892496689692013
Energy: 1.5705240109204675
Energy: 1.478128842698392
Energy: 1.5705240109193592
Energy: 1.388967157939168
Energy: 1.4515090347403106
Energy: 1.508776441481406
Energy: 1.4515090347414192
Energy: 1.4488185852604596
Energy: 1.4501329516367765
Energy: 1.469365705762578
Energy: 1.4501329516367765
Energy: 1.4489087549542032
Energy: 1.4500941384199244
Energy: 1.4802794425574093
Energy: 1.4500941384210326
Energy: 1.3889411857857275
Energy: 1.4515321135411225
Energy: 1.5086724361823594
Energy: 1.4515321135422308
Energy: 1.3955169266988785
Energy: 1.5705087013377055
Energy: 1.4156093805503394
Energy: 1.5705087013377055
Energy: 1.3975388771559403
Energy: 1.5293186191085661
Energy: 1.4099607252421924
Energy: 1.5293186191085661
Energy: 1.395314614777506
Energy: 1.4485191047681067
Energy: 1.605131720759997
Energy: 1.4485191047669983
Energy: 1.6967459057290584
Energy: 1.529655397310627
Energy: 1.4095622271962769
Energy: 1.529655397312844
Energy: 1.3946555265094631
Energy: 1.4500582507600106
Energy: 1.5711428487920711
Energy: 1.4500582507600106
Energy: 1.512240024470005
Energy: 1.4020867315175805
Energy: 1.427876136785089
Energy: 1.402086731518689
Energy: 1.4495854417574603
Energy: 1.4495008718685896
Energy: 1.7303941810284724
Energy: 1.4495008718674809
Energy: 1.5121355667047134
Energy: 1.402076047308949
Energy: 1.4279101317101934
Energy: 1.4020760473100573
Energy: 1.3948885426710973
Energy: 1.4500437810441251
Energy: 1.9025905009552853
Energy: 1.4500437810441251
Energy: 1.6966426394063474
Energy: 1.5296367100581678
Energy: 1.4098309098369501
Energy: 1.5296367100581678
Energy: 1.395341227690261
Energy: 1.4485198491201494
Energy: 1.6870845426344028
Energy: 1.4485198491201494
Energy: 1.3962163975431063
Energy: 1.529609952291087
Energy: 1.4099928466739773
Energy: 1.5296099522899789
Energy: 1.3892496689680929
Energy: 1.5705240109204675
Energy: 1.4781288426995003
Energy: 1.5705240109193592

minimum gb energy = 1.3889411857857275 eV
minimum distance =  2.21838656616501 Angstroms
sigma value = 17


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

Energy: 1.4347446344063377
Energy: 1.4350142971554996
Energy: 1.729634716392629
Energy: 1.4350142971561846
Energy: 1.669955933391556
Energy: 1.4219617797038662
Energy: 1.402197056715937
Energy: 1.4219617797018107
Energy: 1.399845956101985
Energy: 1.4186494760980684
Energy: 1.7058460655435645
Energy: 1.4186494760980684
Energy: 1.540211514298083
Energy: 1.38789676024478
Energy: 1.3964594716534706
Energy: 1.3878967602461505
Energy: 1.396556441974872
Energy: 1.515811382521305
Energy: 1.7378503066533137
Energy: 1.51581138252062
Energy: 1.3901794346119114
Energy: 1.661071539105446
Energy: 1.4141852221321156
Energy: 1.661071539105446
Energy: 1.4245611329087389
Energy: 1.493640141553139
Energy: 1.4677019340710356
Energy: 1.493640141553139
Energy: 1.4167437822107802
Energy: 1.6716508019496958
Energy: 1.4075145130249722
Energy: 1.6716508019490108
Energy: 1.4335691894897222
Energy: 1.6715627929426047
Energy: 1.5159968434655655
Energy: 1.671562792943975
Energy: 1.4179830033746235
Energy: 1.4823100144525265
Energy: 1.4030379665828014
Energy: 1.4823100144593775
Energy: 1.391156730371243
Energy: 1.454400699482404
Energy: 1.4035368205790715
Energy: 1.454400699481719
Energy: 1.3899576163777538
Energy: 1.4864081562830014
Energy: 1.4172709915014114
Energy: 1.4864081562830014
Energy: 1.3879365062340596
Energy: 1.6611840942790947
Energy: 1.4011586460971144
Energy: 1.6611840942790947
Energy: 1.4206772616690686
Energy: 1.5142576692387968
Energy: 1.434166369157315
Energy: 1.5142576692387968
Energy: 1.460470449955063
Energy: 1.6539825048216703
Energy: 1.4466245317843576
Energy: 1.6539825048209855
Energy: 1.4050494683415482
Energy: 1.4194233889769625
Energy: 1.7570961279726598
Energy: 1.4194233889769625
Energy: 1.4527164034399653
Energy: 1.6522806833748813
Energy: 1.4009309998527084
Energy: 1.6522806833748813
Energy: 1.3904980592744918
Energy: 1.4352326283249661
Energy: 1.7050345316598539
Energy: 1.4352326283235957
Energy: 1.5950692850879393
Energy: 1.4886156010600176
Energy: 1.401857557953786
Energy: 1.4886156010579625
Energy: 1.4077404061320387
Energy: 1.419620046504828
Energy: 1.7665508082506682
Energy: 1.4196200465041429
Energy: 1.431683439180866
Energy: 1.4120156548412357
Energy: 1.4219044473441125
Energy: 1.4120156548412357
Energy: 1.4222138953512364
Energy: 1.686542194409149
Energy: 1.5939835381938363
Energy: 1.686542194409149
Energy: 1.791762020476502
Energy: 1.4043461320297295
Energy: 1.4100752907868046
Energy: 1.404346132028359
Energy: 1.4018854341968747
Energy: 1.495905650368534
Energy: 1.6050177587006
Energy: 1.495905650367164
Energy: 1.7181864524854162
Energy: 1.4360466832183703
Energy: 1.3927106629414157
Energy: 1.436046683217685
Energy: 1.403714469954173
Energy: 1.515825984527512
Energy: 1.4470065125663147
Energy: 1.515825984527512
Energy: 1.5887089890539525
Energy: 1.4747756961873553
Energy: 1.3969778384477867
Energy: 1.47477569618667
Energy: 1.447240131992993
Energy: 1.6519339714688865
Energy: 1.460825341143418
Energy: 1.6519339714702568
Energy: 1.4338489423717604
Energy: 1.513698807608233
Energy: 1.4174362628110653
Energy: 1.5136988076068627
Energy: 1.4188430027905166
Energy: 1.4709244257688203
Energy: 1.4712614938033426
Energy: 1.4709244257695056
Energy: 1.3972933722283538
Energy: 1.5115127498963545
Energy: 1.3898868553328527
Energy: 1.5115127498956697
Energy: 1.4592711883029688
Energy: 1.6456571305383616
Energy: 1.4005148077822727
Energy: 1.6456571305123278
Energy: 1.3973591353851025
Energy: 1.4830817921839543
Energy: 1.6159295831220255
Energy: 1.483081792182584
Energy: 1.5201793743774412
Energy: 1.6755918016097522
Energy: 1.4160104542057446
Energy: 1.6755918016090667
Energy: 1.3917078832766059
Energy: 1.4364980664349425
Energy: 1.4458878889695614
Energy: 1.4364980664349425
Energy: 1.46753273808747
Energy: 1.4947995480809602
Energy: 1.4225274256907035
Energy: 1.494799548080275
Energy: 1.410196658788876
Energy: 1.6602076839029518
Energy: 1.3933628269446832
Energy: 1.6602076839029518
Energy: 1.4545360053837995
Energy: 1.517653143369765
Energy: 1.4057843911355394
Energy: 1.51765314336771

minimum gb energy = 1.38789676024478 eV
minimum distance =  2.21227279554273 Angstroms
sigma value = 89


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

Energy: 1.2709014804274075
Energy: 1.2711463270467567
Energy: 1.688422089796491
Energy: 1.2711463270467567
Energy: 1.2713350686179086
Energy: 1.3111617136664664
Energy: 1.2927547512865363
Energy: 1.3111617136646736
Energy: 1.2893725902214612
Energy: 1.4888463559287306
Energy: 2.1010942127564443
Energy: 1.4888463559287306
Energy: 1.610159131956423
Energy: 1.3112863269631103
Energy: 1.293233421309966
Energy: 1.3112863269631103
Energy: 1.2888868571999508
Energy: 1.3858347329428287
Energy: 2.0015173712403285
Energy: 1.3858347329428287
Energy: 1.2889879461862548
Energy: 1.2716266900512552
Energy: 1.2704453278859125
Energy: 1.2716266900512552
Energy: 1.2895315677032386
Energy: 1.4892559475463338
Energy: 1.2709066482240863
Energy: 1.4892559475463338
Energy: 1.2986317926843276
Energy: 1.7470334270627512
Energy: 1.2924201005564857
Energy: 1.7470334270627512
Energy: 1.2888384042425598
Energy: 1.385919323151097
Energy: 1.3407169946706339
Energy: 1.385919323151097
Energy: 1.3109597436639517
Energy: 1.6433274948991632
Energy: 1.2888655204299184
Energy: 1.6433274949009555
Energy: 1.2705857911967071
Energy: 1.3119731503974004
Energy: 1.2890042736501035
Energy: 1.3119731503974004
Energy: 1.270826660431965
Energy: 1.48497536066315
Energy: 1.2927253143715878
Energy: 1.48497536066315
Energy: 1.2888946981230673
Energy: 1.2723242868428197
Energy: 1.3082804699731923
Energy: 1.2723242868428197
Energy: 1.2889265275812403
Energy: 1.3817460409142686
Energy: 1.2890016692503927
Energy: 1.3817460409142686
Energy: 1.2946544360575836
Energy: 1.2723106400164816
Energy: 1.28891914046012
Energy: 1.2723106400164816

minimum gb energy = 1.2704453278859125 eV
minimum distance =  2.2372705837454 Angstroms
sigma value = 13


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

Energy: 1.2724320074512065
Energy: 1.6692782182883563
Energy: 1.8955635549165917
Energy: 1.6692782182891077
Energy: 1.6104666627030415
Energy: 1.6907724902805972
Energy: 1.2293183851455474
Energy: 1.6907724902836028
Energy: 1.2393031273152832
Energy: 1.733100855770336
Energy: 1.4752434664718896
Energy: 1.733100855770336
Energy: 1.2598308407283039
Energy: 1.6902462213731357
Energy: 1.2271748713940382
Energy: 1.6902462213723843
Energy: 1.2461745134142874
Energy: 1.5082253231321303
Energy: 1.3107803645552913
Energy: 1.5082253231449028
Energy: 1.255269801104492
Energy: 1.4829834023822563
Energy: 1.2461871087263419
Energy: 1.4829834023830077
Energy: 1.2456257862973474
Energy: 1.7017250803000867
Energy: 1.695375619062238
Energy: 1.7017250802993356
Energy: 1.271243852348419
Energy: 1.7553519212305622
Energy: 1.2463578627783838
Energy: 1.7553519212290594
Energy: 1.2461775092373066
Energy: 1.7007342576519757
Energy: 1.432369857733609
Energy: 1.700734257652727
Energy: 1.4714588959859891
Energy: 1.529000032082689
Energy: 1.2274243000622442
Energy: 1.5290000320902024
Energy: 1.2460612132292457
Energy: 1.5282237393311366
Energy: 1.2598843192470703
Energy: 1.5282237393333908
Energy: 1.6157580671862617
Energy: 1.5306147010185964
Energy: 1.2350323279672126
Energy: 1.5306147010163424
Energy: 1.2870882110068453
Energy: 1.4721176659446504
Energy: 1.2376153814330173
Energy: 1.4721176659454014
Energy: 1.6344619906127091
Energy: 1.5297786917565117
Energy: 1.2362078261388652
Energy: 1.5297786917535063
Energy: 1.2459202812439327
Energy: 1.7388603815726422
Energy: 1.2373507870658538
Energy: 1.7388603815726422
Energy: 1.2279667363812112
Energy: 1.5291671275004524
Energy: 1.2243454616694713
Energy: 1.5291671274997012
Energy: 1.2431665912221883
Energy: 1.4987702673214651
Energy: 1.2243109030495272
Energy: 1.498770267316957
Energy: 1.2605429128527046
Energy: 1.6961414455678077
Energy: 1.2422108904339546
Energy: 1.6961414455670567
Energy: 1.2427463635865228
Energy: 1.806260328223592
Energy: 1.242282818235542
Energy: 1.8062603282213383
Energy: 1.242633425826169
Energy: 1.697447312799053
Energy: 1.2421322612694514
Energy: 1.6974473128028098
Energy: 1.2594981582759222
Energy: 1.6959263413346781
Energy: 1.2423979614257255
Energy: 1.6959263413324241
Energy: 1.2425116309573723
Energy: 1.4987684239513142
Energy: 1.2241698538723322
Energy: 1.498768423955071
Energy: 1.2281165688628666
Energy: 1.5294451809315786
Energy: 1.2236049535213671
Energy: 1.5294451809255682
Energy: 1.245854020596475
Energy: 1.7278711488408165
Energy: 1.2661866141002724
Energy: 1.7278711488415681
Energy: 1.6356521210368922
Energy: 1.5298640751396564
Energy: 1.2359385212449017
Energy: 1.5298640751381536
Energy: 1.2868211817021382
Energy: 1.471873960198653
Energy: 1.266264165523767
Energy: 1.4718739601994042
Energy: 1.6157503972664973
Energy: 1.5298278811637598
Energy: 1.2356447272930935
Energy: 1.5298278811675161
Energy: 1.2461516133000594
Energy: 1.5278658062875994
Energy: 1.2596481404915967
Energy: 1.5278658062928585
Energy: 1.4590863185536034
Energy: 1.5307112859453411
Energy: 1.2273886226084267
Energy: 1.5307112858169323
Energy: 1.245962278255811
Energy: 1.7007213134638643
Energy: 1.617186779302827
Energy: 1.700721313465367
Energy: 1.2710103545539646
Energy: 1.755799215359799
Energy: 1.2463081981469661
Energy: 1.7557992153590474
Energy: 1.2456574251992998
Energy: 1.7025436626389405
Energy: 1.7819857528068312
Energy: 1.7025436626374375
Energy: 1.2567320336143182
Energy: 1.4845292537100359
Energy: 1.2461650394531876
Energy: 1.4845292537137926
Energy: 1.2457461572827522
Energy: 1.5075614016011654
Energy: 1.310734290428336
Energy: 1.5075614016011654
Energy: 1.2603333799197454
Energy: 1.6904290925534446
Energy: 1.2272579145138092
Energy: 1.6904290925519418

minimum gb energy = 1.2236049535213671 eV
minimum distance =  2.13966070798692 Angstroms
sigma value = 37


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

Energy: 1.1730987638849588
Energy: 1.1727504126365549
Energy: 1.5424899079481207
Energy: 1.1727504126365549
Energy: 1.2639449837842645
Energy: 1.5062881007166842
Energy: 1.129692173355593
Energy: 1.5062881007153917
Energy: 1.140705025874502
Energy: 1.8613398453803394
Energy: 1.9511674014906903
Energy: 1.8613398453803394
Energy: 1.1174587732062746
Energy: 1.506185278038832
Energy: 1.1296141765994863
Energy: 1.5061852780401246
Energy: 1.1275567120959933
Energy: 1.5054508623519325
Energy: 1.5646017427884016
Energy: 1.50545086235064
Energy: 1.896169679483407
Energy: 1.5060971411881658
Energy: 1.1217984333883209
Energy: 1.5060971411881658
Energy: 1.1612116106863646
Energy: 1.8662614930573145
Energy: 1.4568913804385843
Energy: 1.8662614930573145
Energy: 1.127518399188633
Energy: 1.172891415940683
Energy: 1.1765482837804493
Energy: 1.172891415940683
Energy: 1.12765601055536
Energy: 1.523244211289238
Energy: 1.6293379904002268
Energy: 1.523244211289238
Energy: 1.9493110176325028
Energy: 1.5376447368258321
Energy: 1.1217533890262745
Energy: 1.5376447368258321
Energy: 1.1610470825802075
Energy: 1.8600055015550692
Energy: 1.1178548711960516
Energy: 1.8600055015550692
Energy: 1.5123060857622517
Energy: 1.1722385790170642
Energy: 1.1297883502513497
Energy: 1.1722385790170642
Energy: 1.117360428871088
Energy: 1.5232838650846614
Energy: 1.1402652601814425
Energy: 1.5232838650846614
Energy: 1.4546046203183534
Energy: 1.86103004144996
Energy: 1.1272477520822226
Energy: 1.86103004144996
Energy: 1.1722996991758379
Energy: 1.2289777247148084
Energy: 1.1274117515407889
Energy: 1.2289777247135156
Energy: 1.1725707948337296
Energy: 1.5235136613551856
Energy: 1.1297535263577425
Energy: 1.5235136613551856
Energy: 1.1173561984643547
Energy: 1.537073772107774
Energy: 1.1766595365071737
Energy: 1.5370737721064816
Energy: 1.1176937577456272
Energy: 1.8646294845099196
Energy: 1.1273420724340286
Energy: 1.8646294845099196
Energy: 1.1273264445776603
Energy: 1.1731906927723064
Energy: 1.1274128687668474
Energy: 1.1731906927723064
Energy: 1.1275037039720492
Energy: 1.523531265435144
Energy: 1.1175697464520449
Energy: 1.523531265435144

minimum gb energy = 1.1173561984643547 eV
minimum distance =  2.23383998626154 Angstroms
sigma value = 25


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

Energy: 1.0848262666616164
Energy: 1.5676481618425153
Energy: 1.480136091615087
Energy: 1.5676481618435247
Energy: 1.3506303328928226
Energy: 1.5870998397208462
Energy: 1.0296410141281762
Energy: 1.587099839719837
Energy: 1.0236220030182168
Energy: 1.0236094836211231
Energy: 1.9233662544562926
Energy: 1.0236094836221326
Energy: 1.1058382944881278
Energy: 1.5881461551503508
Energy: 1.0296819488594555
Energy: 1.5881461551503508
Energy: 1.0321190510138583
Energy: 1.5878879309220975
Energy: 1.46600002816181
Energy: 1.5878879309220975
Energy: 1.46611169639923
Energy: 1.5883453582068432
Energy: 1.0297106432907013
Energy: 1.5883453582068432
Energy: 1.0326150547264545
Energy: 1.300539763483279
Energy: 1.3038088675431192
Energy: 1.3005397634852975
Energy: 1.482380335957147
Energy: 1.3560188508507198
Energy: 1.0258210562699064
Energy: 1.3560188508497102
Energy: 1.0319880685225495
Energy: 1.5869139534575387
Energy: 1.4677799600020889
Energy: 1.5869139534575387
Energy: 1.0036325777163964
Energy: 1.5626488988199345
Energy: 1.0869550611113714
Energy: 1.562648898818925
Energy: 1.0325454040051432
Energy: 1.3007958153376151
Energy: 1.519547425762002
Energy: 1.3007958153376151
Energy: 1.7905501108715964
Energy: 1.6287224594363192
Energy: 1.0258417657790488
Energy: 1.6287224594363192
Energy: 1.0319880961994932
Energy: 1.5881093447340318
Energy: 1.2632491367548055
Energy: 1.5881093447340318
Energy: 1.7673675384555292
Energy: 1.623713430128208
Energy: 1.029736678759644
Energy: 1.623713430128208
Energy: 1.0324389116784864
Energy: 1.3007982937580957
Energy: 0.9981632181375619
Energy: 1.3007982937580957
Energy: 1.3134869177018678
Energy: 1.68502298810581
Energy: 1.030341166893293
Energy: 1.68502298810581
Energy: 1.0319428416641125
Energy: 1.355498669022114
Energy: 1.0170251612287606
Energy: 1.355498669022114
Energy: 1.2882458342105376
Energy: 1.587512407713204
Energy: 1.029633511017213
Energy: 1.587512407713204
Energy: 1.0927768252424936
Energy: 1.5616348688116473
Energy: 1.0044279293286884
Energy: 1.5616348688126567
Energy: 1.513676480996742
Energy: 1.6507091188171759
Energy: 1.0302188886169443
Energy: 1.6507091188171759
Energy: 1.0291041150184512
Energy: 1.6782565720931988
Energy: 1.00941451983709
Energy: 1.6782565720931988
Energy: 1.023587808776557
Energy: 1.5873585226335698
Energy: 1.0300846423879155
Energy: 1.5873585226325602
Energy: 1.0324081151926523
Energy: 1.6219199516152456
Energy: 1.3294583570797809
Energy: 1.6219199516142362
Energy: 0.9979826286124425
Energy: 1.6362999235743458
Energy: 1.0307899625565342
Energy: 1.6362999235743458
Energy: 1.0303010851682812
Energy: 1.6783783232040541
Energy: 1.3132111282136603
Energy: 1.6783783232040541
Energy: 1.0041733002946007
Energy: 1.3555860289342128
Energy: 1.0233747948582743
Energy: 1.3555860289342128

minimum gb energy = 0.9979826286124425 eV
minimum distance =  2.15685369977018 Angstroms
sigma value = 41


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

Energy: 1.3627925449289393
Energy: 1.4115288568865392
Energy: 1.3996922020249514
Energy: 1.4115288568865392
Energy: 1.391933942718743
Energy: 1.392561272536011
Energy: 0.9247913445608887
Energy: 1.392561272536011
Energy: 0.9523214290357791
Energy: 1.3810204695339696
Energy: 1.6662351765332217
Energy: 1.381020469534797
Energy: 1.1910542178053523
Energy: 1.3940696938293624
Energy: 0.9247531247605097
Energy: 1.3940696938285346
Energy: 0.9183606223784762
Energy: 1.4317095503540789
Energy: 0.9969705307858786
Energy: 1.431709550355734
Energy: 0.9906664227365013
Energy: 1.3931491829169413
Energy: 0.9245697983085549
Energy: 1.3931491829161138
Energy: 0.9234078103304169
Energy: 1.3932617742117634
Energy: 1.1722394795297282
Energy: 1.393261774210936
Energy: 1.3953942106679282
Energy: 1.185936346740238
Energy: 0.9196729604701234
Energy: 1.1859363467394102
Energy: 0.9284188330378892
Energy: 1.4816515427779915
Energy: 1.5502751876117151
Energy: 1.4816515427779915
Energy: 1.7836305718177003
Energy: 1.3823068574674617
Energy: 0.953646903681853
Energy: 1.3823068574666342
Energy: 0.923533689595709
Energy: 1.3934555496360577
Energy: 1.5180736147081382
Energy: 1.3934555496368854
Energy: 0.9098043370163335
Energy: 1.4118549693832558
Energy: 1.3436445471997904
Energy: 1.4118549693840834
Energy: 0.9283863360664606
Energy: 1.4827527849576922
Energy: 1.5977427970396423
Energy: 1.4827527849576922
Energy: 1.6644427196845435
Energy: 1.5396803299340012
Energy: 0.9535879221760495
Energy: 1.5396803299331738
Energy: 0.923582324058833
Energy: 1.3930871198196235
Energy: 1.331740567146272
Energy: 1.393087119818796
Energy: 1.6508360842881749
Energy: 1.4146418338724387
Energy: 0.9196796933489961
Energy: 1.4146418338724387
Energy: 0.9283484376866127
Energy: 1.4824957123557911
Energy: 1.1239495196939118
Energy: 1.4824957123549638
Energy: 1.185663010961026
Energy: 1.540311222731366
Energy: 0.9245816413308147
Energy: 1.5403112227321938
Energy: 0.9234596572834695
Energy: 1.1855607772336334
Energy: 0.9054608592274911
Energy: 1.185560777234461
Energy: 1.1740266033693545
Energy: 1.4800857433597403
Energy: 0.9278845669988636
Energy: 1.4800857433597403
Energy: 0.957131647346977
Energy: 1.482376994111453
Energy: 0.9186271255969363
Energy: 1.482376994113108
Energy: 1.5087818275435279
Energy: 1.5584547005632519
Energy: 0.9246956310835519
Energy: 1.5584547005640796
Energy: 1.3433018863660522
Energy: 1.4079572032025842
Energy: 0.9096112732991172
Energy: 1.4079572032025842
Energy: 1.3431896393420288
Energy: 1.4808693951919878
Energy: 0.9278483555154416
Energy: 1.4808693951919878
Energy: 0.9572218916231018
Energy: 1.5452492696197229
Energy: 0.9264411100920728
Energy: 1.5452492696197229
Energy: 1.3237747682340826
Energy: 1.559552457825747
Energy: 0.9247228352705137
Energy: 1.559552457825747
Energy: 0.9236336126249834
Energy: 1.478438868844616
Energy: 1.1866757662744931
Energy: 1.478438868844616
Energy: 0.9187813893192832
Energy: 1.4802613167997467
Energy: 0.9281530801443413
Energy: 1.4802613167997467
Energy: 0.9284542400105823
Energy: 1.5428693407417347
Energy: 1.1854340076633154
Energy: 1.5428693407417347
Energy: 0.9051047001535112
Energy: 1.5262735732928563
Energy: 0.9295525674321097
Energy: 1.5262735732928563
Energy: 0.9237951330466779
Energy: 1.4780795956329063
Energy: 1.1736502735875396
Energy: 1.4780795956329063
Energy: 0.9099221616280967
Energy: 1.4798101110441289
Energy: 0.9630620282208256
Energy: 1.479810111043301

minimum gb energy = 0.9051047001535112 eV
minimum distance =  2.13398477489827 Angstroms
sigma value = 15


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

Energy: 1.2351955243625945
Energy: 1.4117251995517746
Energy: 1.339258883392183
Energy: 1.4117251995510736
Energy: 1.4129065680776014
Energy: 1.3360055757674623
Energy: 0.8639265449204772
Energy: 1.3360055757674623
Energy: 0.8925873882752917
Energy: 1.2579635472256352
Energy: 1.569431985591465
Energy: 1.2579635472263362
Energy: 1.24241862961357
Energy: 1.3359119884210933
Energy: 0.8637979593142625
Energy: 1.3359119884217943
Energy: 0.8599527846470786
Energy: 1.3493215311531117
Energy: 1.3355764362974423
Energy: 1.3493215311538127
Energy: 1.072585956308647
Energy: 1.3370262315869696
Energy: 0.8638590088109013
Energy: 1.3370262315876706
Energy: 0.8628417892534673
Energy: 1.2708464079654975
Energy: 1.062596877164699
Energy: 1.2708464079661985
Energy: 0.9028555468589677
Energy: 1.2736158045147163
Energy: 0.8636886957988541
Energy: 1.2736158045154176
Energy: 0.8662518270194073
Energy: 1.4195576120512219
Energy: 1.240630623402365
Energy: 1.4195576120512219
Energy: 1.3372236845418475
Energy: 1.3343830196875508
Energy: 0.8607535268392211
Energy: 1.334383019688252
Energy: 0.8630312785537472
Energy: 1.3354102301091715
Energy: 1.3892802219311822
Energy: 1.3354102301091715
Energy: 1.7626904255213764
Energy: 1.2588708664336132
Energy: 0.8933147203559929
Energy: 1.2588708664343142
Energy: 0.8663392452081784
Energy: 1.4203108981266164
Energy: 1.4948801498518316
Energy: 1.4203108981266164
Energy: 0.836303439192683
Energy: 1.4094102379697027
Energy: 1.2207811576733096
Energy: 1.4094102379704039
Energy: 0.8629683853661582
Energy: 1.3352693474173838
Energy: 1.5333317726645175
Energy: 1.3352693474159816
Energy: 1.5661159251388752
Energy: 1.25894169440685
Energy: 0.8931154523800866
Energy: 1.25894169440685
Energy: 0.8662244119432538
Energy: 1.4201429978997024
Energy: 1.3464170268402094
Energy: 1.4201429978983002
Energy: 1.5581783730277319
Energy: 1.4211606689346383
Energy: 0.8606482259671966
Energy: 1.4211606689353393
Energy: 0.8631456833668515
Energy: 1.3345661466781167
Energy: 1.1922081306768617
Energy: 1.3345661466781167
Energy: 1.0648751329672377
Energy: 1.3277843726025158
Energy: 0.8638853792744703
Energy: 1.3277843726018146
Energy: 0.8661791190860796
Energy: 1.3631976139650563
Energy: 1.0207081084790115
Energy: 1.3631976139650563
Energy: 1.0743873864928202
Energy: 1.415248656881567
Energy: 0.869890181415289
Energy: 1.4152486568794638
Energy: 0.8629117907321112
Energy: 1.3363050937298613
Energy: 0.832517207290935
Energy: 1.3363050937361705
Energy: 1.38924503318192
Energy: 1.3281625199163751
Energy: 0.8639049280460834
Energy: 1.3281625199170763
Energy: 0.89547520415938
Energy: 1.3651020016512538
Energy: 0.8389469100949368
Energy: 1.365102001652656
Energy: 1.363907632657181
Energy: 1.419667551619175
Energy: 0.8699569438993985
Energy: 1.419667551619175
Energy: 1.2194822845219633
Energy: 1.4079786479248728
Energy: 0.8365603147771414
Energy: 1.4079786479241718
Energy: 1.5232884137407634
Energy: 1.333566480936672
Energy: 0.8638905868754952
Energy: 1.3335664809380743
Energy: 0.8955707829808272
Energy: 1.4441941975691788
Energy: 0.8369086444923977
Energy: 1.4441941975684776
Energy: 1.1958010994573152
Energy: 1.4190489643958726
Energy: 0.8699323540691517
Energy: 1.4190489643958726
Energy: 0.8630001146694876
Energy: 1.4177975937397636
Energy: 1.07382011680118
Energy: 1.4177975937404645
Energy: 1.183768968356128
Energy: 1.342540314413078
Energy: 0.863946847761841
Energy: 1.3425403144137789
Energy: 0.8661160052466614
Energy: 1.4501724806550336
Energy: 1.071634486023296
Energy: 1.4501724806550336
Energy: 0.8407353266689268
Energy: 1.361997704573108
Energy: 0.8700473893468172
Energy: 1.361997704573108
Energy: 0.8575092350055726
Energy: 1.419916374363863
Energy: 1.0728351325794878
Energy: 1.419916374364564
Energy: 0.8324929102914258
Energy: 1.333392541999266
Energy: 0.8670727240795079
Energy: 1.3333925419985648
Energy: 0.8660612905145201
Energy: 1.4501805255389526
Energy: 1.3895082128457503
Energy: 1.4501805255389526

minimum gb energy = 0.8324929102914258 eV
minimum distance =  2.23654840478041 Angstroms
sigma value = 85


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

Energy: 1.2341923962447068
Energy: 1.3424798297826357
Energy: 1.274381709646943
Energy: 1.3424798297814198
Energy: 1.5011708709390792
Energy: 1.2437513172804677
Energy: 0.7925160039663748
Energy: 1.2437513172792516
Energy: 1.1969490505251001
Energy: 1.1854849756924428
Energy: 0.9636899477906581
Energy: 1.1854849756924428
Energy: 1.3569011169418375
Energy: 1.2461614894876174
Energy: 0.7924951800259644
Energy: 1.2461614894882254
Energy: 0.9108875232247181
Energy: 1.1849103985568148
Energy: 0.8844725774530999
Energy: 1.1849103985555984
Energy: 1.2352671895639031
Energy: 1.185467623739591
Energy: 0.7923290227387175
Energy: 1.185467623739591
Energy: 0.8701866486496161
Energy: 1.1245240105381635
Energy: 1.0305070924345106
Energy: 1.1245240105381635
Energy: 1.0911258864502325
Energy: 1.242732596188
Energy: 0.8028068977265356
Energy: 1.2427325961898241
Energy: 0.8014318779184758
Energy: 1.1509022816174868
Energy: 1.1876653315873322
Energy: 1.1509022816174868
Energy: 0.9483062428601539
Energy: 1.1419577472021636
Energy: 0.8709587099210545
Energy: 1.141957747200948
Energy: 0.7920063953605216
Energy: 1.245703591104443
Energy: 1.3352557468399087
Energy: 1.2457035911020107
Energy: 1.343016247598521
Energy: 1.278569659363847
Energy: 0.9139275836142827
Energy: 1.278569659363847
Energy: 0.7917641939890514
Energy: 1.1505173447400845
Energy: 1.4419591920721628
Energy: 1.1505173447394765
Energy: 1.272138812766415
Energy: 1.1840848134603614
Energy: 1.1850895362107512
Energy: 1.1840848134597535
Energy: 0.7923981247141466
Energy: 1.2445361198075477
Energy: 1.549619101675693
Energy: 1.2445361198075477
Energy: 0.7535476418773327
Energy: 1.3056057234107457
Energy: 1.1553469920525927
Energy: 1.3056057234101377
Energy: 0.7915979078215342
Energy: 1.1541705640645852
Energy: 1.4886759543010164
Energy: 1.1541705640639772
Energy: 0.9638686202237197
Energy: 1.1843483581130239
Energy: 1.1851626957477694
Energy: 1.184348358114848
Energy: 0.7923290008177777
Energy: 1.2462648802859377
Energy: 1.418072730004498
Energy: 1.2462648802859377
Energy: 0.9632336282853811
Energy: 1.4033378021258611
Energy: 0.9139955981861535
Energy: 1.4033378021258611
Energy: 0.793077409012935
Energy: 1.0291400019769548
Energy: 1.344845707200554
Energy: 1.029140001975131
Energy: 1.0308723127111448
Energy: 1.165247608996083
Energy: 0.8711403002075736
Energy: 1.165247608996691
Energy: 0.8023117437578358
Energy: 1.242278024232277
Energy: 1.1431699811731615
Energy: 1.242278024232277
Energy: 1.0453585773149212
Energy: 1.3297709065663836
Energy: 0.802577604705893
Energy: 1.3297709065669916
Energy: 0.8697870666907063
Energy: 1.0352743967583018
Energy: 0.9897364980460083
Energy: 1.0352743967583018
Energy: 1.335710375021968
Energy: 1.242277250046222
Energy: 0.7933093494314866
Energy: 1.242277250045614
Energy: 0.9129396385733061
Energy: 1.2776559507010397
Energy: 0.8284183965483164
Energy: 1.2776559507022558
Energy: 1.3338821347202356
Energy: 1.3290814659950427
Energy: 0.7925441364657186
Energy: 1.329081465996259
Energy: 1.1844299422258264
Energy: 1.1825804955045758
Energy: 0.7570290382403722
Energy: 1.1825804955057915
Energy: 1.5494442063903722
Energy: 1.2451526730233757
Energy: 0.79154462586
Energy: 1.2451526730245914
Energy: 1.2318289453818405
Energy: 1.3263445264323968
Energy: 0.7545000332262852
Energy: 1.3263445264317888
Energy: 1.4588130073215297
Energy: 1.3284416003504993
Energy: 0.7926325265434178
Energy: 1.3284416003504993
Energy: 1.1843607868439552
Energy: 1.1825963890415185
Energy: 0.7583920653613253
Energy: 1.182596389042707
Energy: 1.418137465698045
Energy: 1.2464475821072696
Energy: 0.7933227440204145
Energy: 1.2464475821066618
Energy: 0.9129123668784992
Energy: 1.3284529450259004
Energy: 0.9640928291717309
Energy: 1.3284529450277243
Energy: 1.1522461144356737
Energy: 1.3107532316867112
Energy: 0.7954281019317826
Energy: 1.3107532316879271
Energy: 0.8697704143288403
Energy: 1.1280984753663865
Energy: 1.0360730641408975
Energy: 1.1280984753657786
Energy: 1.143181371623701
Energy: 1.2412893587963882
Energy: 0.8009139888268756
Energy: 1.2412893587963882
Energy: 0.802432210557741
Energy: 1.3277542166360052
Energy: 1.0446089601901276
Energy: 1.3277542166372214
Energy: 0.8401614119398704
Energy: 1.2652327901393352
Energy: 0.872974444033209
Energy: 1.2652327901393352
Energy: 0.7915317152483934
Energy: 1.2124653568192987
Energy: 1.3357659403695326
Energy: 1.2124653568180825
Energy: 0.8281185997297128
Energy: 1.2738682939058852
Energy: 0.9122749926612405
Energy: 1.2738682939071013
Energy: 0.7918517294228117
Energy: 1.3279244238504975
Energy: 1.3340002402104967
Energy: 1.3279244238504975

minimum gb energy = 0.7535476418773327 eV
minimum distance =  2.24502371302691 Angstroms
sigma value = 113


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

Energy: 0.02051692725969219
Energy: 0.021419582749478455
Energy: 1.847153630577346
Energy: 0.021419582749478455
Energy: 1.1180116595958396
Energy: 0.43500192468879895
Energy: 0.43516644845759916
Energy: 0.43500192468786414
Energy: 0.02051692725969219
Energy: 0.02141958274901105
Energy: 1.8471536306239302
Energy: 0.02141958274901105
Energy: 1.1180116595967744
Energy: 0.43500192468879895
Energy: 0.4351664528767787
Energy: 0.43500192468786414
Energy: 0.02051692725969219
Energy: 0.021419582749478455
Energy: 1.8471536305704905
Energy: 0.021419582749478455
Energy: 1.1180116595967744
Energy: 0.43500192468879895
Energy: 0.4351664436573833
Energy: 0.43500192468786414

minimum gb energy = 0.02051692725969219 eV
minimum distance =  2.48408830019026 Angstroms
sigma value = 1