Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839794826
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
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: 0.018953245835181657
Energy: 0.11365362477070211
Energy: 1.279834851464702
Energy: 0.020303521820169226
Energy: 0.11365362477070211
Energy: 1.2141982683443344
Energy: 0.020303521820169226
Energy: 1.2141982683385777
Energy: 1.279834851465236
Energy: 0.020303521820169226
Energy: 0.018953245835715782
Energy: 0.11365362477280895
Energy: 0.020303521820169226
Energy: 1.2141982683385777
Energy: 0.11365362477280895
Energy: 1.214198268341723

minimum gb energy = 0.018953245835181657 eV
minimum distance =  2.6482738862296 Angstroms
sigma value = 1


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

Energy: 2.177581454068416
Energy: 1.4807137790920546
Energy: 1.5183408382154453
Energy: 1.402483373542408
Energy: 1.5143213491385976
Energy: 1.4045241657952283
Energy: 1.4801330490225975
Energy: 1.404524165783568
Energy: 1.4287640000103743
Energy: 1.4345805516113959
Energy: 2.3754227141071227
Energy: 1.4345805516113959
Energy: 1.4578384958192572
Energy: 1.4052121799541029
Energy: 1.476172209816132
Energy: 1.405212179959874
Energy: 2.0110553167786445
Energy: 1.4053656663255958
Energy: 1.4110303623349054
Energy: 1.4053656663255958
Energy: 1.4224160395325245
Energy: 1.384597485171739
Energy: 1.3382849542424313
Energy: 1.3845974851723868
Energy: 1.5327457057581633
Energy: 1.387425560756104
Energy: 2.0101519374294354
Energy: 1.3874255607567516
Energy: 1.3472904605808524
Energy: 1.3621446668852928
Energy: 1.47168959364483
Energy: 1.3621446668807582
Energy: 1.7296269603573806
Energy: 1.364136886641088
Energy: 1.7677892500776862
Energy: 1.364136886641088
Energy: 1.3576541712780887
Energy: 1.6935460125842683
Energy: 1.349355835168812
Energy: 1.693546012584916
Energy: 1.8425862441156895
Energy: 1.363108415232815
Energy: 1.6991369223638055
Energy: 1.363108415233463
Energy: 1.34917715263621
Energy: 1.6957373442606412
Energy: 1.3682606463550737
Energy: 1.6957373442599935
Energy: 1.4469318761473549
Energy: 1.3881301974434848
Energy: 2.1820897472956764
Energy: 1.388130197442837
Energy: 1.5249336551632033
Energy: 1.381752247574794
Energy: 1.356162927083981
Energy: 1.3817522475728508
Energy: 2.180214084009261
Energy: 1.4057674056473681
Energy: 1.3262207920163442
Energy: 1.4057674056467204
Energy: 1.3529362821664885
Energy: 1.4050710456271016
Energy: 1.4881521088889402
Energy: 1.4050710456258058
Energy: 1.5106595088370263
Energy: 1.4726802423719554
Energy: 2.5707753169283816
Energy: 1.4726802423693643
Energy: 1.4795750117015876
Energy: 1.4056212711635325
Energy: 1.5598194987992118
Energy: 1.4056212711635325
Energy: 2.3768028369603615
Energy: 1.4127154853760473
Energy: 1.5111928015638014
Energy: 1.4127154853760473
Energy: 1.6142372206075646
Energy: 1.4709321613082678
Energy: 1.4380761317422681
Energy: 1.4709321613082678
Energy: 1.493409955856796
Energy: 1.3660506099330358
Energy: 2.0115222978179164
Energy: 1.366050609932388
Energy: 1.3373542779656973
Energy: 1.3853824772307097
Energy: 1.4226479942226211
Energy: 1.3853824772287668
Energy: 2.010478250330874
Energy: 1.3887258084275798
Energy: 1.5989662214346492
Energy: 1.3887258084275798
Energy: 1.4720906840166712
Energy: 1.4204912201149336
Energy: 1.4206228299606503
Energy: 1.4204912201155813
Energy: 1.5382932149352258
Energy: 1.363448945114734
Energy: 1.4780145533593725
Energy: 1.363448945114734
Energy: 1.4109771041794836
Energy: 1.4742729959209082
Energy: 1.35965686783761
Energy: 1.4742729959183172
Energy: 1.69955634591028
Energy: 1.3648968844946305
Energy: 1.6368182846967356
Energy: 1.3648968844946305
Energy: 1.3657839019700684
Energy: 1.3600323368156935
Energy: 1.4381969742806764
Energy: 1.3600323368163412
Energy: 1.7966364294409196
Energy: 1.3916424460450554
Energy: 1.4460885711012053
Energy: 1.391642446046999
Energy: 1.3465456834865093
Energy: 1.3836628485595213
Energy: 1.4288655353439315
Energy: 1.3836628485601692
Energy: 1.3473899457209928
Energy: 1.4044398548200157
Energy: 1.3526161640057413
Energy: 1.4044398548206634
Energy: 1.4861945712983118
Energy: 1.4034718627461766
Energy: 1.3692395310558618
Energy: 1.403471862744233
Energy: 2.0092705869360334
Energy: 1.4699675677317532
Energy: 1.4285615547574366
Energy: 1.4699675677317532

minimum gb energy = 1.3262207920163442 eV
minimum distance =  2.52069630076716 Angstroms
sigma value = 1


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

Energy: 2.457223140172565
Energy: 1.484223787345766
Energy: 1.605468701551475
Energy: 1.3797740552401738
Energy: 1.6027855436509637
Energy: 1.4658007476574773
Energy: 1.5641597419197142
Energy: 1.4658007476582158
Energy: 1.5021271927720181
Energy: 1.5336741150550346
Energy: 2.246584624490129
Energy: 1.5336741150542959
Energy: 1.519127725214402
Energy: 1.460296347445852
Energy: 1.560551588635033
Energy: 1.4602963474465906
Energy: 2.2465315058960504
Energy: 1.4807518536218067
Energy: 1.4862051845742459
Energy: 1.480751853619591
Energy: 1.4947580172787047
Energy: 1.4598618294073744
Energy: 1.4102321034690464
Energy: 1.459861829410329
Energy: 1.6386472323260857
Energy: 1.4587097197253722
Energy: 1.8551589570284357
Energy: 1.4587097197238952
Energy: 1.4155279081807415
Energy: 1.7736161973272893
Energy: 1.432699422472837
Energy: 1.7736161973272893
Energy: 1.856638761856749
Energy: 1.4396484735524575
Energy: 1.7163191730739424
Energy: 1.4396484735539345
Energy: 1.4278435597954824
Energy: 1.7473976665636874
Energy: 1.4300225532619963
Energy: 1.7473976665622102
Energy: 2.036068639725929
Energy: 1.4618829089447958
Energy: 1.5452951768446275
Energy: 1.4618829089447958
Energy: 1.4229517023829632
Energy: 1.4562266283090348
Energy: 1.495829704017991
Energy: 1.4562266283112506
Energy: 1.3901730201194353
Energy: 1.4596110181952784
Energy: 2.0340277222090064
Energy: 1.4596110181967554
Energy: 1.5713907506366607
Energy: 1.4795946357414542
Energy: 1.4334347644537972
Energy: 1.4795946357429313
Energy: 2.4601550179996736
Energy: 1.5531552589926423
Energy: 1.5942474344460698
Energy: 1.5531552589926423
Energy: 1.5513269352507801
Energy: 1.4614610561661576
Energy: 1.5638251058651043
Energy: 1.4614610561668961
Energy: 1.595353083618036
Energy: 1.5352121379680108
Energy: 2.248510680783893
Energy: 1.5352121379650567
Energy: 1.5179960692909655
Energy: 1.463108340946416
Energy: 1.601005722332474
Energy: 1.463108341118439
Energy: 2.248157708460557
Energy: 1.4946648133412488
Energy: 1.5802896631406986
Energy: 1.4946648133412488
Energy: 1.4967262480994703
Energy: 1.4595400597622092
Energy: 1.4013419919319965
Energy: 1.4595400597622092
Energy: 1.7113531795773624
Energy: 1.4591384953596485
Energy: 1.855867219990381
Energy: 1.4591384953566942
Energy: 1.4576154466697044
Energy: 1.5038047543817206
Energy: 1.4335207093383582
Energy: 1.503804754383198
Energy: 1.8568817481835984
Energy: 1.4388627206709856
Energy: 1.7844535046587315
Energy: 1.4388627206717242
Energy: 1.4276870674765694
Energy: 1.5773190630463698
Energy: 1.499794962124062
Energy: 1.5773190630493241
Energy: 1.7529945398559412
Energy: 1.459274196718735
Energy: 1.5446006413306836
Energy: 1.4592741967194738
Energy: 1.4146772331358772
Energy: 1.4559113952893241
Energy: 1.4961335137653955
Energy: 1.4559113952878466
Energy: 1.4210576135188706
Energy: 1.458495249634391
Energy: 1.7741812970800022
Energy: 1.4584952496351296
Energy: 1.5611679375862968
Energy: 1.4602366888775808
Energy: 1.4330532537683756
Energy: 1.460236688880535
Energy: 1.9836611908122581
Energy: 1.51246187092818
Energy: 1.5005374825101667
Energy: 1.512461870925964

minimum gb energy = 1.3797740552401738 eV
minimum distance =  2.44125210544866 Angstroms
sigma value = 25


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

Energy: 2.2971562232373883
Energy: 1.6215784415790004
Energy: 1.7187150961547983
Energy: 1.5133327828611467
Energy: 1.6952679801512822
Energy: 1.6054910710431536
Energy: 1.6526456475375813
Energy: 1.6054910710431536
Energy: 1.5637518841267393
Energy: 1.6212504184333125
Energy: 2.066576183262922
Energy: 1.6212504184341714
Energy: 1.5597413479314206
Energy: 1.5370783073236642
Energy: 1.656169942978219
Energy: 1.537078307321947
Energy: 2.070651584914351
Energy: 1.535241272946941
Energy: 1.5764901568865566
Energy: 1.535241272946941
Energy: 1.5746032091885505
Energy: 2.006039050548678
Energy: 1.48767923526192
Energy: 2.006039050548678
Energy: 1.7537827490596916
Energy: 1.544108975570185
Energy: 1.7182885182294718
Energy: 1.544108975570185
Energy: 1.5027269688930502
Energy: 1.8194148090621196
Energy: 1.5029435023790418
Energy: 1.819414809061261
Energy: 1.668544579813159
Energy: 1.543273923750314
Energy: 1.8426330406384805
Energy: 1.5432739237511726
Energy: 1.5730455971651454
Energy: 1.5393677719599304
Energy: 1.5028896992550351
Energy: 1.5393677719599304
Energy: 2.303330555793138
Energy: 1.5349629134948006
Energy: 1.4434279507346726
Energy: 1.5349629134948006
Energy: 1.5002192138712427
Energy: 1.5374781514639102
Energy: 1.6513829737262005
Energy: 1.5374781514639102
Energy: 1.6923592997559138
Energy: 1.7044422917181152
Energy: 2.301101217075246
Energy: 1.7044422918090862
Energy: 1.6559403887436628
Energy: 1.5745280436336553
Energy: 1.6373526926730666
Energy: 1.5745280436327966
Energy: 2.1197355798268505
Energy: 1.6203245438414706
Energy: 1.56793673287803
Energy: 1.620324543840612
Energy: 1.7036907159578665
Energy: 1.5359724921840758
Energy: 1.5860810604799245
Energy: 1.5359724921738118
Energy: 1.6858009180496354
Energy: 1.535357382155466
Energy: 2.0697421039375845
Energy: 1.535357382155466
Energy: 1.5117097796478784
Energy: 2.0067872843910046
Energy: 1.5777173604519756
Energy: 2.0067872843918635
Energy: 1.7530067894179515
Energy: 1.5416671270841182
Energy: 1.616034011445681
Energy: 1.5416671270849769
Energy: 1.506606929631288
Energy: 1.6027827014455613
Energy: 1.5485869131829377
Energy: 1.6027827014455613
Energy: 1.9610604955276953
Energy: 1.5597976762396488
Energy: 1.6675862292414487
Energy: 1.5597976762405072
Energy: 1.5929055383404616
Energy: 1.5391396002829374
Energy: 1.5689268599833528
Energy: 1.5391396002820787
Energy: 1.4642495685872
Energy: 1.535329954441403
Energy: 1.9384962246164004
Energy: 1.535329954441403
Energy: 1.6502461788300795
Energy: 1.53737592919942
Energy: 1.500249204071379
Energy: 1.5373759292002784
Energy: 1.4914951756972157
Energy: 1.5563527051978516
Energy: 1.58466140562359
Energy: 1.5563527051987103

minimum gb energy = 1.4434279507346726 eV
minimum distance =  2.44701984398609 Angstroms
sigma value = 9


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

Energy: 2.272344062079949
Energy: 1.7556008592325627
Energy: 1.8486599181923264
Energy: 1.6579612312213314
Energy: 1.831450463500954
Energy: 1.71367692037365
Energy: 1.8319517977890731
Energy: 1.71367692037365
Energy: 1.7475186201006838
Energy: 1.7047845208460966
Energy: 2.7003472822874133
Energy: 1.7047845208460966
Energy: 1.6546260860194593
Energy: 1.715386421206832
Energy: 1.7780642038399923
Energy: 1.7153864210594358
Energy: 1.9443179938485826
Energy: 1.6492245887201933
Energy: 1.772282315812206
Energy: 1.6492245887201933
Energy: 1.7655563637262683
Energy: 1.761200733039476
Energy: 1.6689190705069286
Energy: 1.761200733054793
Energy: 1.771145226700106
Energy: 1.653788617519284
Energy: 1.9036233184191755
Energy: 1.653788617520308
Energy: 1.6039265917984737
Energy: 1.9213035011903996
Energy: 1.6510044908767212
Energy: 1.9213035011903996
Energy: 1.6529973174912393
Energy: 1.7081716679307732
Energy: 2.2793575655073384
Energy: 1.7081716679307732
Energy: 1.7535416684687786
Energy: 1.8046114327561933
Energy: 1.6645972349643117
Energy: 1.8046114327561933
Energy: 2.061052203444418
Energy: 1.5949887009951158
Energy: 1.5516271072403087
Energy: 1.5949887009940915
Energy: 1.7119450500553957
Energy: 1.5983413913400994
Energy: 1.7103305702409015
Energy: 1.5983413913400994
Energy: 1.840173712588468
Energy: 1.8130036924621353
Energy: 2.703553349838592
Energy: 1.8130036924611113
Energy: 1.8073739280595356
Energy: 1.7448162180982814
Energy: 1.8022172470474622
Energy: 1.7448162180972573
Energy: 1.9449041855540388
Energy: 1.6382513517196982
Energy: 1.7469917295174229
Energy: 1.6382513517186739
Energy: 1.7650320643885753
Energy: 1.8285124799695989
Energy: 1.6468765691273493
Energy: 1.8285124799695989
Energy: 1.9288838796037673
Energy: 1.6935143738346174
Energy: 1.8795305342482296
Energy: 1.6935143738335934
Energy: 1.7042647170645444
Energy: 1.7915951464788125
Energy: 1.680091452839438
Energy: 1.7915951464798368
Energy: 1.6151851593893183
Energy: 1.6271971385691169
Energy: 1.9879163433157687
Energy: 1.6271971385691169
Energy: 1.6991711178886801
Energy: 1.658124845411007
Energy: 1.6735967395802809
Energy: 1.6581248454119846
Energy: 1.703360140977422
Energy: 1.708504677676636
Energy: 1.704171619623846
Energy: 1.7085046776786843

minimum gb energy = 1.5516271072403087 eV
minimum distance =  2.42303405092756 Angstroms
sigma value = 25


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

Energy: 1.6969975432601259
Energy: 1.7470105563343679
Energy: 1.7486935724079549
Energy: 1.6557059653629562
Energy: 2.1337368027339236
Energy: 1.7170328388378882
Energy: 1.8389368372310622
Energy: 1.7170328388378882
Energy: 1.7104204761437591
Energy: 1.7094067482550488
Energy: 2.1932047126302967
Energy: 1.7094067482563156
Energy: 1.7071063811765999
Energy: 1.9269846770146368
Energy: 1.8389252409561365
Energy: 1.9269846770146368
Energy: 1.5765552976008403
Energy: 1.7240147547742208
Energy: 1.7415085162002604
Energy: 1.7240147547729545
Energy: 1.7818719007254291
Energy: 1.901703169199329
Energy: 1.718240995955244
Energy: 1.901703169199329
Energy: 1.7051299448784794
Energy: 1.730254918171365
Energy: 1.5790486974473208
Energy: 1.730254918171365
Energy: 1.7731296615314525
Energy: 1.6084507270984403
Energy: 1.6364702536118503
Energy: 1.6084507270895738
Energy: 1.758488831317006
Energy: 1.6203585712148347
Energy: 2.2766599564815113
Energy: 1.6203585712148347
Energy: 1.9167078785465863
Energy: 1.6193503889821672
Energy: 1.7774462642383764
Energy: 1.619350388983434
Energy: 2.198296908788894
Energy: 1.70832320539041
Energy: 1.7142746887058786
Energy: 1.70832320539041
Energy: 1.8752193169327507
Energy: 1.9904240381580778
Energy: 1.7070187830265315
Energy: 1.9904240381580778
Energy: 1.6482646973699346
Energy: 1.6372071360215963
Energy: 1.5778858480475877
Energy: 1.6372071360215963
Energy: 1.8077568891510107
Energy: 1.7398597714415904
Energy: 1.7826714896735962
Energy: 1.7398597714415904
Energy: 1.577402308213292
Energy: 1.717238829484521
Energy: 1.9766229011189849
Energy: 1.717238829484521
Energy: 1.6361669920127215
Energy: 1.605294898730139
Energy: 1.974205339957635
Energy: 1.605294898854214
Energy: 1.7821382470945362
Energy: 1.619601171512643
Energy: 1.761949018545713
Energy: 1.619601171512643

minimum gb energy = 1.5765552976008403 eV
minimum distance =  2.4606687754069 Angstroms
sigma value = 17


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

Energy: 2.545049253686611
Energy: 1.9335336083828638
Energy: 1.91493752889982
Energy: 1.733104211674253
Energy: 2.0357156503833314
Energy: 2.0510587724359177
Energy: 1.97237752380727
Energy: 2.051058772435201
Energy: 1.59138757666853
Energy: 1.5934040892835397
Energy: 2.2640494124012656
Energy: 1.5934040893222128
Energy: 1.693911796282634
Energy: 1.9041273091390574
Energy: 1.9180834550584351
Energy: 1.9041273091390574
Energy: 1.7882393872972364
Energy: 1.8307060450491743
Energy: 1.5884528873975314
Energy: 1.830706045048457
Energy: 1.9047154349392172
Energy: 1.960168614038567
Energy: 1.7970714778523214
Energy: 1.960168614038567
Energy: 1.985725821863181
Energy: 1.7137947432104876
Energy: 1.7195916412325487
Energy: 1.7137947432097702
Energy: 1.9156019938262576
Energy: 1.6843828691433669
Energy: 1.8199938932805426
Energy: 1.6843828691440845
Energy: 1.9029603777552817
Energy: 1.9876695847719998
Energy: 2.3224869544857225
Energy: 1.9876695847676955
Energy: 1.8765557580581544
Energy: 2.030684334429565
Energy: 1.9540565427559127
Energy: 2.0306843344288477
Energy: 1.7860539755804705
Energy: 1.7004460554635406
Energy: 1.7427930208376654
Energy: 1.7004460554642582
Energy: 1.9227895302410152
Energy: 1.9725438510505906
Energy: 1.5636154530322828
Energy: 1.9725438510498734
Energy: 2.0776144389211626
Energy: 1.6572761114553636
Energy: 1.5264380004934868
Energy: 1.6572761114553636
Energy: 1.9868752836567438
Energy: 1.902243339235645
Energy: 1.8032906347131412
Energy: 1.9022433392349278
Energy: 1.902600558654895
Energy: 1.9608046993391681
Energy: 2.3303713370768238
Energy: 1.9608046993384505
Energy: 2.0045251884628694
Energy: 1.931063395441504
Energy: 2.322181318832419
Energy: 1.9310633954422212
Energy: 2.2785918924140525
Energy: 1.9064714719452955
Energy: 1.8490861315291816
Energy: 1.906471471946013
Energy: 2.220698214472791
Energy: 1.701459440209052
Energy: 1.5914669824522196
Energy: 1.7014594402083345
Energy: 1.9031995760924028
Energy: 1.8754337226078626
Energy: 1.9028509125344297
Energy: 1.8754337226078626
Energy: 1.5873551990710018
Energy: 1.864299469768098
Energy: 1.9395378843061861
Energy: 1.864299469768098
Energy: 1.6355949841513815
Energy: 2.1796993491560643
Energy: 1.911844643378308
Energy: 2.179699349157499
Energy: 1.7199056102299481
Energy: 1.5934193419936489
Energy: 1.9787343745578534
Energy: 1.5934193419943663
Energy: 1.9223996361298248
Energy: 2.010310631607632
Energy: 1.977235966535028
Energy: 2.010310631606197
Energy: 2.264835772986523
Energy: 1.9870538274339926
Energy: 1.8911259808322927
Energy: 1.9870538274361447
Energy: 1.8067941728684358
Energy: 2.05695499454155
Energy: 1.8005819983663287
Energy: 2.0569549945422674
Energy: 1.653282866770604
Energy: 1.639410208639049
Energy: 1.7922478688201007
Energy: 1.639410208639049
Energy: 1.8136869782891087
Energy: 2.0757520953185646
Energy: 1.9417467288678685
Energy: 2.0757520953185646
Energy: 1.5326767537779875
Energy: 1.6725233993277524
Energy: 1.9832292122791118
Energy: 1.6725233993342086
Energy: 1.9804462620567986
Energy: 1.9229972707932672
Energy: 1.8138447406784564
Energy: 1.92299727079255
Energy: 2.5468166707500437
Energy: 1.9326032403636413
Energy: 1.8997285491888067
Energy: 1.9326032403629236

minimum gb energy = 1.5264380004934868 eV
minimum distance =  2.5032734107026 Angstroms
sigma value = 53


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

Energy: 2.2256462871578204
Energy: 1.974718430879293
Energy: 1.7062680634410115
Energy: 1.8658054845861705
Energy: 1.6763542071687159
Energy: 1.7105715161464046
Energy: 2.0427198281195937
Energy: 1.7105715155521188
Energy: 1.7060970800335855
Energy: 1.974964323073373
Energy: 1.776289734040906
Energy: 1.9749643230750247
Energy: 1.83757551503143
Energy: 2.091371519691485
Energy: 2.0415207086376315
Energy: 2.0913715196898335
Energy: 1.782822557974666
Energy: 1.4109413433387954
Energy: 1.3280672796931752
Energy: 1.4109413433387954
Energy: 1.6506156703460042
Energy: 1.6367648424171628
Energy: 1.4727368819754965
Energy: 1.6367648424171628
Energy: 2.234912299774128
Energy: 1.7279693825637998
Energy: 1.7260103568404104
Energy: 1.7279693825637998
Energy: 1.964471418477208
Energy: 2.197912551351782
Energy: 2.0543697095746736
Energy: 2.1979125513534337
Energy: 1.7336707001723826
Energy: 1.9726207392619652
Energy: 1.7791004032043825
Energy: 1.9726207392619652
Energy: 1.6752795608559508
Energy: 1.7114911503307269
Energy: 2.0414425960130287
Energy: 1.7114911503307269
Energy: 1.7804797242392267
Energy: 1.6368053545403538
Energy: 1.4746414669971615
Energy: 1.6368053545387025
Energy: 1.71659638323796
Energy: 1.6368642211548223
Energy: 1.3323521670964942
Energy: 1.6368642211548223
Energy: 2.0427620935747415
Energy: 1.8378177329190217
Energy: 1.73004615922248
Energy: 1.8378177329157561

minimum gb energy = 1.3280672796931752 eV
minimum distance =  2.47665458310639 Angstroms
sigma value = 9


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

Energy: 2.1212925406486467
Energy: 2.0701779262577786
Energy: 2.046594097555166
Energy: 1.9997101292962507
Energy: 2.0316077529105554
Energy: 2.0994385538662916
Energy: 2.1185673398490055
Energy: 2.0994385538656806
Energy: 1.5610118590129158
Energy: 1.9261658428689883
Energy: 1.9507671824750985
Energy: 1.9261658428683772
Energy: 1.6884531473187716
Energy: 1.9944423243415357
Energy: 2.112727636856835
Energy: 1.9944423243397018
Energy: 1.5605524215600366
Energy: 1.5908967942134702
Energy: 2.210141922773317
Energy: 1.5908967942122474
Energy: 1.6916492367084377
Energy: 1.8728589724693314
Energy: 2.128074132168055
Energy: 1.872858972470554
Energy: 2.3661260985951458
Energy: 2.127545706416538
Energy: 2.044654982240098
Energy: 2.1275457064153156
Energy: 2.3535459635819804
Energy: 2.1668633566169175
Energy: 2.012342481682529
Energy: 2.166863356617528
Energy: 1.7854479330457702
Energy: 1.9484024692569255
Energy: 1.6745904208731035
Energy: 1.9484024692569255
Energy: 1.4742799086104663
Energy: 1.915050278560068
Energy: 2.051769369179105
Energy: 1.9150502785606789
Energy: 1.7478355098705225
Energy: 1.9199673307505254
Energy: 2.264180145056211
Energy: 1.919967330749303
Energy: 1.8102234378561135
Energy: 1.9614333274220972
Energy: 2.1276131856581255
Energy: 1.96143332742332
Energy: 2.345674448295816
Energy: 2.1791393976313005
Energy: 1.962076432208839
Energy: 2.1791393976294664
Energy: 2.3702840922894577
Energy: 1.9076735701340408
Energy: 1.7632673365895968
Energy: 1.9076735701309844
Energy: 2.0506783526138093
Energy: 2.113451556970686
Energy: 1.8537113835168813
Energy: 2.113451556970686
Energy: 1.7787832229840999
Energy: 1.87476057854803
Energy: 1.6372547993778306
Energy: 1.8747605785474184
Energy: 1.984466056446898
Energy: 2.0015618955053225
Energy: 2.1038284692050078
Energy: 2.0015618955059336
Energy: 2.0002272874980016
Energy: 2.0828586526409314
Energy: 2.1225168960223275
Energy: 2.08285865264032
Energy: 2.081429267648929
Energy: 2.1287033307275953
Energy: 1.9859089862765487
Energy: 2.128703330726373
Energy: 1.9495501698656363
Energy: 1.9191634232446129
Energy: 1.5525109488059126
Energy: 1.9191634232440016
Energy: 2.1724886019999436
Energy: 1.9236862747289822
Energy: 1.59378004920707
Energy: 1.9236862747289822
Energy: 2.2073487102920746
Energy: 1.641735150027351
Energy: 1.5594532481294228
Energy: 1.6417351500261286
Energy: 2.135534645920292
Energy: 1.8588305361043098
Energy: 1.7084096484892242
Energy: 1.8588305361055322
Energy: 2.0421526054547314
Energy: 2.020159326258552
Energy: 2.3707001699216854
Energy: 2.0201593262689435
Energy: 2.0077014775125597
Energy: 2.165947751262067
Energy: 2.382717861425846
Energy: 2.165947751261456
Energy: 1.675796928122142
Energy: 1.9517754377245404
Energy: 1.782492553424168
Energy: 1.9517754377257628
Energy: 2.016032205015734
Energy: 1.6988405150473758
Energy: 1.4725869678085024
Energy: 1.698840515055322
Energy: 2.1838733954370055
Energy: 1.988498174329117
Energy: 1.708489527592211
Energy: 1.9884981743297285
Energy: 2.124314043954694
Energy: 2.0451854729433547
Energy: 1.7580038207248967
Energy: 2.0451854729427437
Energy: 1.9630842189056983
Energy: 2.1374510052721614
Energy: 2.378702719742286
Energy: 2.137451005270939
Energy: 1.7590277570443
Energy: 1.9082568328115694
Energy: 1.9553809474037946
Energy: 1.908256832807902
Energy: 1.765269480965694
Energy: 1.9734046989120761
Energy: 2.05398768480909
Energy: 1.9734046989108536
Energy: 1.6364868003741577
Energy: 1.894887352788134
Energy: 1.7830789581608646
Energy: 1.894887352788745
Energy: 2.120717379519538
Energy: 2.0025343850487833
Energy: 1.9096277447822096
Energy: 2.0025343850493944
Energy: 2.1252523682270104
Energy: 2.0121431606172444
Energy: 1.9996108693285646
Energy: 2.0121431606178555

minimum gb energy = 1.4725869678085024 eV
minimum distance =  2.46538572662085 Angstroms
sigma value = 73


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

Energy: 2.1702319958144987
Energy: 1.9916911262980563
Energy: 1.9237218121307007
Energy: 1.8860593857902643
Energy: 1.969578652061406
Energy: 2.126836472847793
Energy: 2.2193728850898684
Energy: 2.126836472845854
Energy: 1.7322428529132625
Energy: 2.0792406090693403
Energy: 1.8634899122806234
Energy: 2.0792406090683704
Energy: 1.6831441301831358
Energy: 1.8474379076817204
Energy: 2.072914422976589
Energy: 1.8474379076826903
Energy: 1.6211108191260901
Energy: 1.9718825807711284
Energy: 2.3631195475435995
Energy: 1.9718825807691889
Energy: 1.9244765379197317
Energy: 2.0071150156611393
Energy: 2.0883371648486775
Energy: 2.0071150156611393
Energy: 2.557457138389585
Energy: 2.152541634826913
Energy: 1.9982629028608234
Energy: 2.152541634826913
Energy: 2.225729385276806
Energy: 1.9834932208741933
Energy: 1.9483840925865448
Energy: 1.9834932208751632
Energy: 2.0760746212388623
Energy: 1.8460230217379454
Energy: 1.9226873076913422
Energy: 1.8460230217379454
Energy: 1.6101306151910806
Energy: 1.9397916836634086
Energy: 1.9696526478373382
Energy: 1.939791683662439
Energy: 1.748312910622603
Energy: 1.962800334601373
Energy: 1.9957198284473723
Energy: 1.9628003346004033
Energy: 1.8490612142584317
Energy: 1.808443907187853
Energy: 1.9900580866989168
Energy: 1.808443907192702
Energy: 1.911694999479317
Energy: 2.020505031491566
Energy: 1.8997761468579564
Energy: 2.0205050314925352
Energy: 1.861220367614814
Energy: 1.9137121110264306
Energy: 1.787356725638943
Energy: 1.9137121110264306
Energy: 2.069389522101972
Energy: 1.9854276958477726
Energy: 1.6908949589318043
Energy: 1.9854276958458328
Energy: 2.1792476228668107
Energy: 1.9547955495027844
Energy: 1.6696225540303358
Energy: 1.9547955495018148
Energy: 2.178708002260285
Energy: 2.068821519475161
Energy: 1.9636901822538135
Energy: 2.068821519475161
Energy: 1.9820162561953547
Energy: 2.091968413204654
Energy: 2.550534762575975
Energy: 2.0919684132065934
Energy: 1.9443675420392303
Energy: 2.023184684812081
Energy: 2.1195509722543404
Energy: 2.023184684812081
Energy: 1.759482934390769
Energy: 1.846051836177991
Energy: 2.034253839896837
Energy: 1.846051836177991
Energy: 2.0098614048226415
Energy: 1.9826197872497644
Energy: 1.6845710133018443
Energy: 1.9826197872497644
Energy: 2.171042812411606
Energy: 2.0751946836520982
Energy: 1.9063647477153098
Energy: 2.075194683653068

minimum gb energy = 1.6101306151910806 eV
minimum distance =  2.4506296319023 Angstroms
sigma value = 7


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

Energy: 2.393317034626804
Energy: 1.9628928303493516
Energy: 1.947473451629088
Energy: 1.8750556270665992
Energy: 2.0885258451770663
Energy: 2.1098899888007274
Energy: 2.013484846289082
Energy: 2.109889988801413
Energy: 1.6530193838511071
Energy: 1.8980261705822
Energy: 1.6936307246435969
Energy: 1.8980261705835715
Energy: 1.6203143529783437
Energy: 1.882352893858936
Energy: 1.9486849688196164
Energy: 1.8823528938609935
Energy: 1.7471358463287006
Energy: 1.9574714523217323
Energy: 1.8805220417237385
Energy: 1.9574714523217323
Energy: 1.8858069621316411
Energy: 1.9959081348467942
Energy: 1.8827820313928505
Energy: 1.9959081348481655
Energy: 2.1390077273638664
Energy: 2.087945866973617
Energy: 1.898576388818439
Energy: 2.0879458669688167
Energy: 2.122137597947098
Energy: 1.918824101473449
Energy: 1.7635134667246735
Energy: 1.918824101474135
Energy: 1.9474220292446238
Energy: 1.9081875138690483
Energy: 1.5757690585088886
Energy: 1.9081875138731628
Energy: 1.8694938553527258
Energy: 1.9448611049354014
Energy: 1.846158253216211
Energy: 1.9448611049347158
Energy: 2.0741942406723624
Energy: 2.147461183847275
Energy: 2.108930385769789
Energy: 2.1474611838479607
Energy: 1.9275716279557247
Energy: 2.111104322972064
Energy: 2.134085033652601
Energy: 2.1111043229700064
Energy: 1.7666548386028347
Energy: 1.9326257715414252
Energy: 1.8868390630620109
Energy: 1.9326257715448538
Energy: 1.7008189409799777
Energy: 1.8965539957937745
Energy: 1.5718857291925228
Energy: 1.8965539957924027
Energy: 1.988568893813085
Energy: 1.862857412112527
Energy: 1.6062488203501406
Energy: 1.862857412111841
Energy: 2.398651335478188
Energy: 1.997562970618869
Energy: 1.926042719852766
Energy: 1.997562970618869
Energy: 2.37125450411095
Energy: 2.110705930716237
Energy: 2.03690867649063
Energy: 2.110705930715551
Energy: 1.8545303422454447
Energy: 1.892626488192926
Energy: 1.6916998546257358
Energy: 1.892626488192926
Energy: 1.5718364580082453
Energy: 1.8204765780468755
Energy: 1.949272401683987
Energy: 1.8204765780503043
Energy: 1.724841655107682
Energy: 1.9109936087929336
Energy: 2.1695521049155877
Energy: 1.9109936087929336
Energy: 1.8515161279394372
Energy: 2.0713274955578975
Energy: 1.8749966332969137
Energy: 2.0713274955524112
Energy: 2.1092947793723322
Energy: 1.9967438070426453
Energy: 1.886949910030352
Energy: 1.9967438070412735
Energy: 2.099438591369136
Energy: 1.8440021788607783
Energy: 1.762746238844058
Energy: 1.844002178858721
Energy: 1.9523605328767846
Energy: 1.8992172068808055
Energy: 1.6219599173323003
Energy: 1.8992172068801199
Energy: 1.8715641895357744
Energy: 1.930410778616674
Energy: 1.7583614263595926
Energy: 1.9304107786153026
Energy: 1.97098971858552
Energy: 2.106111235240413
Energy: 2.11896637576376
Energy: 2.106111235240413
Energy: 1.9276494620058318
Energy: 2.0404724348813996
Energy: 2.1278893525798996
Energy: 2.0404724348800283
Energy: 1.8852047408225499
Energy: 1.9410671156693393
Energy: 2.1990349426895097
Energy: 1.9410671156659103
Energy: 1.695671958558633
Energy: 1.8744149726870318
Energy: 1.881046227478708
Energy: 1.8744149726856603
Energy: 1.9947553944362209
Energy: 1.93928337140769
Energy: 1.5708097250541253
Energy: 1.9392833714104332
Energy: 2.3424139800458508
Energy: 2.069612234382785
Energy: 1.9612317695953996
Energy: 2.069612234381413

minimum gb energy = 1.5708097250541253 eV
minimum distance =  2.44732097968313 Angstroms
sigma value = 29


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

Energy: 1.3461692371277005
Energy: 1.6975238099124557
Energy: 1.6380662537629342
Energy: 1.3474536784344397
Energy: 1.9391563371069174
Energy: 1.8793522104252764
Energy: 1.3733041417061504
Energy: 1.8793522104252764
Energy: 1.6240067032529748
Energy: 1.7754710333215802
Energy: 1.6389366697999352
Energy: 1.7754710333215802
Energy: 1.646793439045473
Energy: 1.3744050839617004
Energy: 1.3698965068733182
Energy: 1.3744050839617004
Energy: 1.6599889532217549
Energy: 1.624814517848548
Energy: 1.3474483738423724
Energy: 1.624814517848548
Energy: 1.6667029401048683
Energy: 1.7293845934060077
Energy: 1.3474653232194944
Energy: 1.7293845934060077
Energy: 1.3600612740830904
Energy: 1.7762896036117997
Energy: 1.9588627995287786
Energy: 1.7762896036117997
Energy: 1.4749576714205963
Energy: 1.6262834418328314
Energy: 1.6457878182847863
Energy: 1.6262834418328314
Energy: 1.6697570577382947
Energy: 1.6229032675209982
Energy: 1.7371213530605203
Energy: 1.6229032675209982

minimum gb energy = 1.3461692371277005 eV
minimum distance =  2.50438325947316 Angstroms
sigma value = 5


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

Energy: 1.8452121633586311
Energy: 2.119685239314688
Energy: 1.9575735209210081
Energy: 2.0886749323560116
Energy: 2.1472839129663526
Energy: 1.7534073844360722
Energy: 1.7291001538427817
Energy: 1.753407384437368
Energy: 1.66450601684347
Energy: 1.892196228614663
Energy: 1.6369586658876554
Energy: 1.892196228614015
Energy: 1.4164524635650362
Energy: 1.6173091974372802
Energy: 1.8845961171650172
Energy: 1.6173091974366323
Energy: 2.1172919255857447
Energy: 2.0291321630314187
Energy: 2.1163050541343
Energy: 2.0291321630301233
Energy: 1.8968992953941968
Energy: 1.7671194695426944
Energy: 2.1258981966484667
Energy: 1.7671194695433423
Energy: 1.3911504164886015
Energy: 1.3913213756259384
Energy: 1.8991311615412736
Energy: 1.3913213756259384
Energy: 1.4074787385763055
Energy: 1.9758180837179853
Energy: 1.8525419027241838
Energy: 1.97581808371669
Energy: 2.075041557585373
Energy: 1.9138771958925036
Energy: 1.977656519408929
Energy: 1.9138771958931515
Energy: 1.628094013110445
Energy: 2.061907693754256
Energy: 1.7000876248119865
Energy: 2.061907693754256
Energy: 1.963456332268951
Energy: 1.5428799649247418
Energy: 1.3721742996021429
Energy: 1.5428799649240938
Energy: 2.0144259154939754
Energy: 1.7180251224342777
Energy: 1.621099714697178
Energy: 1.7180251224342777
Energy: 1.8573637864885177
Energy: 2.072332209895772
Energy: 2.0304346082625178
Energy: 2.0723322098951247
Energy: 1.8898282036265759
Energy: 1.9043392379511963
Energy: 1.6372531391592287
Energy: 1.9043392379505484
Energy: 1.464674361121601
Energy: 1.8945362851063254
Energy: 1.7329940421372967
Energy: 1.8945362851069734
Energy: 1.4007198460837482
Energy: 1.5849259249239618
Energy: 2.0712014265009504
Energy: 1.5849259249226662
Energy: 1.9440804146607322
Energy: 2.0391267630375576
Energy: 2.341113625393113
Energy: 2.0391267630369097
Energy: 1.732186919985713
Energy: 1.7533399992693024
Energy: 1.9472944045335203
Energy: 1.7533399992693024
Energy: 1.6324323819751538
Energy: 1.8925425574272918
Energy: 1.663625549404267
Energy: 1.8925425574279398
Energy: 1.8818692895626092
Energy: 1.7718989283197728
Energy: 1.4111463785600709
Energy: 1.771898928336615
Energy: 2.198318328126856
Energy: 1.9740984540425013
Energy: 2.120816788490446
Energy: 1.974098454043149
Energy: 2.1015097561053517
Energy: 2.0947828584272252
Energy: 1.898149047835492
Energy: 2.0947828584265773
Energy: 1.9140801048268148
Energy: 1.391271237760784
Energy: 1.3934121776679074
Energy: 1.3912712377614318
Energy: 1.855033909957994
Energy: 1.849966499229285
Energy: 1.4088133594939631
Energy: 1.8499664992299327
Energy: 1.885696518794786
Energy: 1.9137606612042168
Energy: 2.090093427788075
Energy: 1.9137606612042168
Energy: 1.663577689261529
Energy: 2.0686151736167515
Energy: 1.6282943812769413
Energy: 2.068615173618047
Energy: 1.3906999115764103
Energy: 1.7091043148364993
Energy: 1.9538204176524543
Energy: 1.7091043148358516
Energy: 1.3966477856986965
Energy: 1.5415355035135574
Energy: 2.190608353180099
Energy: 1.5415355035129097
Energy: 1.859494655009956
Energy: 2.0621701673866704
Energy: 1.8510770829466212
Energy: 2.0621701673860224
Energy: 1.660553428498953
Energy: 1.8835801104035876
Energy: 1.895179115227315
Energy: 1.8835801104035876
Energy: 1.6616849141012258
Energy: 1.919458210405129
Energy: 1.4698596217432705
Energy: 1.919458210405129
Energy: 2.0713824564101713
Energy: 1.3917353582431438
Energy: 1.3960908711118367
Energy: 1.3917353582437915
Energy: 2.346030726958371
Energy: 2.0130701967002875
Energy: 1.921328540837347
Energy: 2.013070196695753

minimum gb energy = 1.3721742996021429 eV
minimum distance =  2.42537962028145 Angstroms
sigma value = 1


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

Energy: 1.9522447007237498
Energy: 2.1095341585034673
Energy: 1.816537314956322
Energy: 2.058409398796356
Energy: 2.1387053955003434
Energy: 1.594025715194013
Energy: 1.6755566954664105
Energy: 1.594025715194013
Energy: 1.6724226766059604
Energy: 1.8373721881750604
Energy: 1.6599784481407975
Energy: 1.8373721881732692
Energy: 1.3535101020303912
Energy: 1.59308369847178
Energy: 1.9848110486034518
Energy: 1.5930836984699885
Energy: 2.0822928135996857
Energy: 1.614570457031256
Energy: 2.3002682713242666
Energy: 1.6145704570303605
Energy: 1.7691191025187645
Energy: 1.916997544863495
Energy: 2.3010670830095514
Energy: 1.9169975448643908
Energy: 1.323730330966837
Energy: 1.4624182805507275
Energy: 1.9386887379018725
Energy: 1.4624182805498318
Energy: 1.3252397629735206
Energy: 1.5733746686511139
Energy: 1.9604772630517235
Energy: 1.5733746678829599
Energy: 2.1488212379114544
Energy: 1.864476428169148
Energy: 2.0116396555542693
Energy: 1.864476428169148
Energy: 1.6519782773247056
Energy: 1.9565055223792844
Energy: 1.3280908653109555
Energy: 1.956505522377493
Energy: 2.1534677161660563
Energy: 1.603744174148793
Energy: 1.3246289623402017
Energy: 1.603744174149689
Energy: 2.1084506261480227
Energy: 1.3257691494871926
Energy: 1.5366892573026674
Energy: 1.3257691494871926
Energy: 1.9589698864363099
Energy: 1.7146151735725375
Energy: 2.0452459061063486
Energy: 1.7146151735716415
Energy: 1.7392344480889586
Energy: 1.5935318421239493
Energy: 1.677836651023697
Energy: 1.5935318421257407
Energy: 1.3577780514619144
Energy: 1.8848838856190424
Energy: 1.683598653098255
Energy: 1.8848838856190424
Energy: 1.3481073953800122
Energy: 1.6649726693762912
Energy: 1.9362663954191723
Energy: 1.6649726693762912
Energy: 1.8660973232510607
Energy: 2.1110810187863835
Energy: 2.3001405184978956
Energy: 2.1110810187863835
Energy: 1.5160796960300025
Energy: 1.3264078164414854
Energy: 2.182724339171798
Energy: 1.326407816442381
Energy: 1.3311326865438935
Energy: 1.8750020769617048
Energy: 2.0670981339048873
Energy: 1.8750020769626006
Energy: 1.3250486401033732
Energy: 2.004563065532465
Energy: 1.959054366361064
Energy: 2.0045630655306734
Energy: 1.678572797354558
Energy: 2.0055811615262895
Energy: 1.9935219938289621
Energy: 2.005581161524498
Energy: 1.6510556593105983
Energy: 1.9962610248874362
Energy: 1.3284978334676492
Energy: 1.9962610248874362
Energy: 1.9916615023813375
Energy: 1.324519988199732
Energy: 1.3264834544362212
Energy: 1.3245199881988365
Energy: 1.961234635855947
Energy: 1.7194809621673424
Energy: 1.8022356492433584
Energy: 1.7194809621682383

minimum gb energy = 1.323730330966837 eV
minimum distance =  2.43184127015355 Angstroms
sigma value = 17


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

Energy: 2.076331935936307
Energy: 2.175072675674114
Energy: 1.9538019621862819
Energy: 2.1670845492909914
Energy: 2.180347564747477
Energy: 1.4968879991657102
Energy: 1.5480472340400648
Energy: 1.4968879991657102
Energy: 1.7524537422915742
Energy: 1.825869358230048
Energy: 1.5131720685619423
Energy: 1.8258693582294443
Energy: 1.6930293391866877
Energy: 1.7580164455335145
Energy: 1.9315612162839952
Energy: 1.7580164455324072
Energy: 2.1185734446613034
Energy: 1.8701649621935128
Energy: 1.9314268022449355
Energy: 1.8701649621951235
Energy: 1.5373537193935003
Energy: 1.6998081550978041
Energy: 2.1792077009162645
Energy: 1.6998081550978041
Energy: 1.2947807564043792
Energy: 1.2928054011072891
Energy: 2.1830379540391727
Energy: 1.2928054011067858
Energy: 1.571769532511945
Energy: 1.4105096149334662
Energy: 2.0787880064857944
Energy: 1.4105096181296033
Energy: 1.969675235611314
Energy: 1.7638547644610847
Energy: 2.2736867328875183
Energy: 1.7638547644610847
Energy: 1.5043685469547612
Energy: 1.8595737095497735
Energy: 1.557117059272274
Energy: 1.8595737095497735
Energy: 1.960175057194977
Energy: 1.587915996534509
Energy: 1.3214629757700331
Energy: 1.5879159965339051
Energy: 2.3168640653099533
Energy: 1.6187884280654419
Energy: 2.079725945182029
Energy: 1.6187884181816143
Energy: 2.29383797921459
Energy: 1.6105132921589378
Energy: 1.9187524925973503
Energy: 1.6105132921589378
Energy: 2.0689141404529527
Energy: 1.3089944243278528
Energy: 1.31320076034646
Energy: 1.3089944243278528
Energy: 1.6970783557826765
Energy: 1.9616996447926192
Energy: 1.3211992439312998
Energy: 1.9616996447931223
Energy: 2.0478095934989753
Energy: 1.8802955466451767
Energy: 2.2050645013394274
Energy: 1.8802955466451767
Energy: 1.32637250105697
Energy: 2.0385841028820675
Energy: 1.8813710544965379
Energy: 2.038584102882621
Energy: 1.3280754790989024
Energy: 1.5614624672722976
Energy: 2.159601448590457
Energy: 1.5614624672705866
Energy: 1.3845567989392675
Energy: 1.3106433086384826
Energy: 2.2887964181340705
Energy: 1.3106433086367715
Energy: 1.988062429662209
Energy: 2.010068232873223
Energy: 2.0747237772663096
Energy: 2.010068232869297
Energy: 1.5460878521553219
Energy: 1.4983639496887722
Energy: 2.1001704369651018
Energy: 1.4983639496887722
Energy: 1.542593097450363
Energy: 1.825404445638941
Energy: 1.7479333785422735
Energy: 1.8254044456378338
Energy: 1.9369478531730628
Energy: 1.7595549763225575
Energy: 1.744200532572422
Energy: 1.7595549763225575
Energy: 1.8892566032970108
Energy: 2.0808381562730442
Energy: 2.015822938034937
Energy: 2.080838156274152
Energy: 2.1626638329343737
Energy: 1.6973173420547456
Energy: 1.4204943811195145
Energy: 1.697317342056356
Energy: 2.213604225397034
Energy: 1.291936061807111
Energy: 1.2982722249734466
Energy: 1.2919360618066078
Energy: 2.074217246118963
Energy: 2.0952351238306925
Energy: 1.4651776196191748
Energy: 2.0952351238295854
Energy: 2.278511802296311
Energy: 1.758247904106661
Energy: 1.968951631722079
Energy: 1.7582479041061576
Energy: 1.5528818490425025
Energy: 1.8587133006541614
Energy: 1.5082165841604402
Energy: 1.858713300655772
Energy: 1.3236544774233474
Energy: 1.4986375697391523
Energy: 1.9626442322897175
Energy: 1.498637569736334
Energy: 2.0481701307635283
Energy: 1.9126772886997407
Energy: 2.2605991532678833
Energy: 1.9126772886992378
Energy: 1.872308691148335
Energy: 1.4308614133287243
Energy: 2.2973919368194746
Energy: 1.4308614133380848
Energy: 1.3093535524692255
Energy: 1.3085883266752756
Energy: 2.064681161682237
Energy: 1.308588326676383
Energy: 1.3397170614120726
Energy: 1.9649489850403796
Energy: 1.69216694222574
Energy: 1.9649489850386685
Energy: 2.226464465829553
Energy: 1.8775455992042998
Energy: 2.0449390892496138
Energy: 1.877545599203696
Energy: 1.8804886204409257
Energy: 2.007139948913732
Energy: 1.3352601123092758
Energy: 2.0071399489126254
Energy: 2.1616750799355615
Energy: 1.519985658318695
Energy: 1.3101402542177563
Energy: 1.519985658320406
Energy: 2.2734085951754923
Energy: 1.310882410389495
Energy: 1.5686279146610806
Energy: 1.3108824103933197

minimum gb energy = 1.2919360618066078 eV
minimum distance =  2.4677527983253 Angstroms
sigma value = 89


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

Energy: 2.156698959287132
Energy: 1.9767726782495725
Energy: 1.6795404362825497
Energy: 1.7981565773124397
Energy: 1.7207591851583195
Energy: 1.5090762983410888
Energy: 1.6457262339978191
Energy: 1.5090762983410888
Energy: 1.1664717441928285
Energy: 1.7767786464034607
Energy: 1.6693474324551512
Energy: 1.7767786464034607
Energy: 1.1695323145019834
Energy: 1.505922709396315
Energy: 1.6431859886279299
Energy: 1.505922709396315
Energy: 1.5681263437600188
Energy: 1.510048765498939
Energy: 1.659977362285598
Energy: 1.5100487655003876
Energy: 1.5445690116551016
Energy: 1.4983893328922868
Energy: 1.636195895403985
Energy: 1.4983893328922868
Energy: 1.175721053452816
Energy: 1.1745197293179748
Energy: 1.659849544724342
Energy: 1.1745197293179748
Energy: 1.1759789371000677
Energy: 1.4864507669077973
Energy: 2.1609487028311007
Energy: 1.4864507669077973
Energy: 1.6320078851437827
Energy: 1.5092688020656386
Energy: 2.1155421122757616
Energy: 1.5092688020641902
Energy: 1.6660872041681745
Energy: 1.7718719366945357
Energy: 1.6545495217081505
Energy: 1.7718719366945357
Energy: 1.6434533580086848
Energy: 1.5073708264247376
Energy: 1.165470084600262
Energy: 1.5073708264247376
Energy: 1.6379170249487887
Energy: 1.5121761827424403
Energy: 1.5672284458555015
Energy: 1.5121761827409919
Energy: 1.6676947997237763
Energy: 1.8442907777066275
Energy: 1.5452009670728397
Energy: 1.8442907777066275
Energy: 1.645058201077108
Energy: 1.1743089621526457
Energy: 1.1746540806699137
Energy: 1.1743089621526457
Energy: 2.084135057247767
Energy: 1.4863370042078077
Energy: 1.1765629483327553
Energy: 1.4863370042078077

minimum gb energy = 1.165470084600262 eV
minimum distance =  2.47992342250847 Angstroms
sigma value = 13


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

Energy: 1.8842207629431917
Energy: 1.3780107692240535
Energy: 2.0042805281813663
Energy: 1.4121188072763118
Energy: 2.1906291794806867
Energy: 1.3565504659658312
Energy: 1.3763210299588922
Energy: 1.35655046596401
Energy: 1.924615199453662
Energy: 1.6133935138478441
Energy: 1.3215985766372331
Energy: 1.6133935138442013
Energy: 1.469841622318734
Energy: 1.8269210608648367
Energy: 1.3708495338081819
Energy: 1.8269210608624082
Energy: 1.9556088041210153
Energy: 1.7750935111026187
Energy: 1.7593889239676876
Energy: 1.7750935111001904
Energy: 1.3742322120922947
Energy: 1.6347023896791888
Energy: 1.7531867798113963
Energy: 1.6347023896797959
Energy: 1.3697901696117567
Energy: 1.364347153377628
Energy: 2.0955015870524667
Energy: 1.3643471533830918
Energy: 1.8821370164808848
Energy: 1.2833373733636853
Energy: 2.1478663985356232
Energy: 1.2833373733673283
Energy: 1.286032503479009
Energy: 1.2716081694622108
Energy: 2.1515110871214578
Energy: 1.2716081694664605
Energy: 1.164706251414547
Energy: 1.160285416036216
Energy: 2.0631274244391538
Energy: 1.1602854160404656
Energy: 1.5330975989509097
Energy: 1.2563454598524602
Energy: 1.884052879099759
Energy: 1.2563454598488175
Energy: 1.7549723435698197
Energy: 1.6688231374416003
Energy: 2.1101884761334686
Energy: 1.6688231374403861
Energy: 1.7664498713908916
Energy: 1.7256433783686327
Energy: 1.7642240864732992
Energy: 1.7256433783692395
Energy: 1.9619141674972156
Energy: 1.6657359551824622
Energy: 1.4708982589989212
Energy: 1.6657359551770534
Energy: 2.114702491413195
Energy: 1.7450985455282984
Energy: 1.6251843705435995
Energy: 1.745098545532548
Energy: 2.020802199014864
Energy: 1.2612615436194117
Energy: 1.1593894015363533
Energy: 1.2612615436194117
Energy: 2.1014059468897437
Energy: 1.1604700392072222
Energy: 1.1657537973213492
Energy: 1.1604700392078293
Energy: 1.8875269017994325
Energy: 1.3783814025553514
Energy: 1.3754366442039443
Energy: 1.3783814024358054
Energy: 2.130341048734996
Energy: 1.3645601126648472
Energy: 1.499802428816372
Energy: 1.3645601127783218
Energy: 2.0175103935448457
Energy: 1.6137124864138799
Energy: 1.3136979795924197
Energy: 1.613712486413273
Energy: 1.4658683310476497
Energy: 1.7290643228854745
Energy: 1.3685046944126495
Energy: 1.7290643228860816
Energy: 1.9232240013328188
Energy: 1.776072353162807
Energy: 1.7534278286571212
Energy: 1.7760723531585574
Energy: 1.3823683267630522
Energy: 1.660166210451943
Energy: 1.6865029151230577
Energy: 1.660166210451336
Energy: 1.1572207902098024
Energy: 1.3670225207854438
Energy: 2.0683943089757055
Energy: 1.3670225207781583
Energy: 1.955603839383754
Energy: 1.290767206957646
Energy: 2.1192080073645676
Energy: 1.2907672064151086
Energy: 1.2700723752655958
Energy: 1.4805599703058192
Energy: 2.0907788932811013
Energy: 1.4805599703009622
Energy: 1.1609533963849563
Energy: 1.1601660514963836
Energy: 2.063937208173189
Energy: 1.1601660514879393
Energy: 1.2547210758775376
Energy: 1.1628644438368196
Energy: 1.8877560420870407
Energy: 1.1628644438386408
Energy: 1.7917582752389052
Energy: 1.672568954252376
Energy: 2.103042550955652
Energy: 1.6725689542511621
Energy: 1.3128319370264718
Energy: 1.738844537085161
Energy: 1.767932056849053
Energy: 1.7388445370839467
Energy: 1.7751829089267743
Energy: 1.6718272495412405
Energy: 1.4668318898432688
Energy: 1.6718272495412405
Energy: 2.019438684209808
Energy: 1.7591883248719726
Energy: 2.070823820224551
Energy: 1.7591883248701512
Energy: 2.034181155018336
Energy: 1.5598521704482513
Energy: 1.2540636669496876
Energy: 1.5598521704476442
Energy: 2.0663493120768295
Energy: 1.1605505618429464
Energy: 1.1613395195808511
Energy: 1.1605505618453749
Energy: 2.2100783338881356
Energy: 1.3780175858920465
Energy: 1.3693073340065403
Energy: 1.378017585893868

minimum gb energy = 1.1572207902098024 eV
minimum distance =  2.48216656443199 Angstroms
sigma value = 37


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

Energy: 1.6058609397012888
Energy: 1.0646260065798656
Energy: 1.251367284112591
Energy: 1.1549232870455528
Energy: 2.1433278535641134
Energy: 1.3883385315901247
Energy: 1.4062798533306697
Energy: 1.3883385315901247
Energy: 1.7295901265518177
Energy: 1.6339387919705153
Energy: 1.337515387801031
Energy: 1.6339387919705153
Energy: 1.6138120263748401
Energy: 1.6463062319301633
Energy: 1.405232204053929
Energy: 1.6463062319301633
Energy: 2.1158649565429295
Energy: 1.6811057589489238
Energy: 1.333616186400764
Energy: 1.6811057589489238
Energy: 1.2722082500265592
Energy: 1.4218987419186666
Energy: 1.8946045803448648
Energy: 1.4218987419186666
Energy: 1.059612260234579
Energy: 1.3914075645806152
Energy: 1.8954189943331359
Energy: 1.3914075645806152
Energy: 1.3471430303093543
Energy: 1.2484863611233898
Energy: 2.057934692445468
Energy: 1.2484863611244343
Energy: 1.2485879084020937
Energy: 1.065050184214434
Energy: 1.974286583871583
Energy: 1.065050184214434
Energy: 1.0648774507863312
Energy: 1.0645769912990781
Energy: 2.0860739044933387
Energy: 1.0645769912990781
Energy: 1.5482020503892953
Energy: 1.1549232870465975
Energy: 1.6058609397012888
Energy: 1.0646260060098451
Energy: 1.4062798533317145
Energy: 1.3883385315890802
Energy: 2.1058633631084676
Energy: 1.3883385315890802
Energy: 1.3375153877999866
Energy: 1.6339387919694706
Energy: 1.7295901265518177
Energy: 1.6339387919705153
Energy: 1.405232204053929
Energy: 1.6463062319301633
Energy: 1.6138120263748401
Energy: 1.6463062319301633
Energy: 1.333616186400764
Energy: 1.6811057589499683
Energy: 2.1158650917297894
Energy: 1.6811057589499683
Energy: 1.7731215417258854
Energy: 1.4218987419186666
Energy: 1.4061670400761597
Energy: 1.421898741917622
Energy: 1.8951663827834897
Energy: 1.3914075645806152
Energy: 1.0596122602356235
Energy: 1.3914075645806152
Energy: 2.057934692446513
Energy: 1.248486361127568
Energy: 1.347143030105769
Energy: 1.2484863611265236
Energy: 1.9742865838726276
Energy: 1.065050184214434
Energy: 1.2485879084041824
Energy: 1.065050184214434
Energy: 2.1080684531625513
Energy: 1.0645769912990781
Energy: 1.0648774507863312
Energy: 1.0645769912980334

minimum gb energy = 1.059612260234579 eV
minimum distance =  2.49054594257107 Angstroms
sigma value = 25


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

Energy: 2.1268008537990206
Energy: 1.0525394947874447
Energy: 1.5408958836430924
Energy: 1.0383306154230783
Energy: 2.119144639378726
Energy: 0.982768591656154
Energy: 1.321438897805194
Energy: 0.9827685916545228
Energy: 1.903303568762534
Energy: 1.255591593514979
Energy: 1.2539033914878996
Energy: 1.2555915935166102
Energy: 1.5168482692102359
Energy: 1.3136095420482887
Energy: 2.031256039536894
Energy: 1.3136095420482887
Energy: 1.989382244810708
Energy: 1.575453443934174
Energy: 1.6671608465547174
Energy: 1.5754534439333587
Energy: 1.5878540874781253
Energy: 1.5057798637988198
Energy: 1.683341024206318
Energy: 1.5057798637996356
Energy: 1.5231336130700461
Energy: 1.5338795477872886
Energy: 2.060722236502095
Energy: 1.5338795477872886
Energy: 1.777653839024398
Energy: 1.2057656623537865
Energy: 1.8071005843446037
Energy: 1.205765662350524
Energy: 1.2196746478882234
Energy: 1.1886077781272746
Energy: 1.9495281448443063
Energy: 1.188607778126459
Energy: 1.2231664794081174
Energy: 1.1711239768848452
Energy: 2.019133150075203
Energy: 1.1711239768864763
Energy: 1.3237138073603973
Energy: 1.3288939138908995
Energy: 1.8021634752445645
Energy: 1.328893913887637
Energy: 1.0826094718434132
Energy: 1.1271865607745253
Energy: 2.0421561657487954
Energy: 1.1271865607737095
Energy: 1.1098536734802829
Energy: 0.9693839796865115
Energy: 2.067902480953923
Energy: 0.969383979680802
Energy: 1.462395799256599
Energy: 0.9663260766863703
Energy: 1.95105689494129
Energy: 0.9663260766863703
Energy: 1.2778789623826865
Energy: 0.9651247938933875
Energy: 2.1366900975255882
Energy: 0.9651247938933875
Energy: 1.4549351355964795
Energy: 1.4492374293562655
Energy: 1.9066260595185571
Energy: 1.4492374293538555
Energy: 1.796598896060604
Energy: 1.5280972785676223
Energy: 1.9242536922461073
Energy: 1.5280972785676223
Energy: 1.2714221082883241
Energy: 1.6493262413394627
Energy: 2.045549906521166
Energy: 1.6493262413378316
Energy: 1.6539885405436108
Energy: 1.5312599676944685
Energy: 1.5320900627357865
Energy: 1.5312599676928373
Energy: 2.074089505594229
Energy: 1.5478341483215348
Energy: 1.588035314531983
Energy: 1.5478341483215348
Energy: 1.8029399539171829
Energy: 1.2475400473324179
Energy: 1.7857550997294802
Energy: 1.2475400473332336
Energy: 1.9462611610997067
Energy: 1.257516732462895
Energy: 1.0714024832647713
Energy: 1.2575167324620795
Energy: 2.0010235419474727
Energy: 1.1223616574805806
Energy: 1.4378611010870463
Energy: 1.122361657479765
Energy: 1.8054246255428537
Energy: 1.1208363475665086
Energy: 1.1196260361630266
Energy: 1.1208363475770748
Energy: 2.146592326454007
Energy: 0.981521911835602
Energy: 0.984435047377649
Energy: 0.981521911835602
Energy: 1.9265524891162364
Energy: 1.1219830442442862
Energy: 1.0483059635772822
Energy: 1.1219830442442862

minimum gb energy = 0.9651247938933875 eV
minimum distance =  2.48879279767823 Angstroms
sigma value = 41


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

Energy: 2.158519834030263
Energy: 0.9457569616877104
Energy: 1.0759943179181646
Energy: 0.9506026259234182
Energy: 2.0071164888702713
Energy: 0.8896339577077672
Energy: 1.1146803692146885
Energy: 0.8896339577091046
Energy: 1.8579262431956987
Energy: 1.107271504923122
Energy: 1.0561808786344702
Energy: 1.107271504923122
Energy: 1.6653047517095922
Energy: 1.1756749449944823
Energy: 1.7216759602933642
Energy: 1.1756749449938138
Energy: 1.9198499950655246
Energy: 1.4753439338915235
Energy: 1.4762827911081797
Energy: 1.4753439338901864
Energy: 1.6101485147193313
Energy: 1.3879940174830732
Energy: 1.4730015117567228
Energy: 1.3879940174803986
Energy: 1.6174692727764048
Energy: 1.5382198546162609
Energy: 1.7992153132474709
Energy: 1.5382198546162609
Energy: 1.9669524064812554
Energy: 1.451221008183633
Energy: 1.4369860763503695
Energy: 1.4512210081843016
Energy: 1.2762849043471054
Energy: 1.3981668682718296
Energy: 1.7516154690566634
Energy: 1.3981668682738355
Energy: 1.3304074888851374
Energy: 1.390391516246895
Energy: 2.0647483215015145
Energy: 1.3903915162482323
Energy: 1.1110492688281832
Energy: 1.1138136024418532
Energy: 1.9112029849771222
Energy: 1.1138136025240402
Energy: 1.0486241126086877
Energy: 1.1220017178877457
Energy: 1.9510622193164096
Energy: 1.122001717887077
Energy: 1.2286822999143983
Energy: 1.000076076031525
Energy: 1.9556572668260745
Energy: 1.0000760760281817
Energy: 0.9967477651041682
Energy: 0.9995088320224149
Energy: 1.9131045020624404
Energy: 0.9995088320230835
Energy: 0.8889317691519281
Energy: 0.8873255793347044
Energy: 2.00289552714379
Energy: 0.8873255793340357
Energy: 0.8860425524853993
Energy: 0.9990162063730178
Energy: 1.8943504217875677
Energy: 0.9990162063730178
Energy: 1.3007192114107693
Energy: 1.0025576135285401
Energy: 1.8987461137670287
Energy: 1.0025576135278713
Energy: 1.047401954109128
Energy: 0.8850016569407401
Energy: 1.8997983943981873
Energy: 0.8850016570029275
Energy: 1.1261959280125093
Energy: 1.1216955541938909
Energy: 1.6991694447658365
Energy: 1.1216955541992404
Energy: 1.4797158648675408
Energy: 1.4102292597996018
Energy: 1.6104980306466383
Energy: 1.4102292597996018
Energy: 1.4354380726086586
Energy: 1.470624151313583
Energy: 1.727273078304105
Energy: 1.4706241513142515
Energy: 1.481742923417863
Energy: 1.4688388413886009
Energy: 1.6697426025520126
Energy: 1.4688388413886009
Energy: 1.709715041622248
Energy: 1.4476112579630172
Energy: 1.6099765518291689
Energy: 1.4476112579630172
Energy: 1.43872831675888
Energy: 1.4001198878427994
Energy: 1.483816864472164
Energy: 1.4001198878421308
Energy: 1.7625763637307326
Energy: 1.4568269453505844
Energy: 1.2057197765135637
Energy: 1.4568269453512532
Energy: 1.7537755694882573
Energy: 1.1831796562451187
Energy: 1.4675072692692996
Energy: 1.18317965624445
Energy: 1.7579905380307266
Energy: 1.1761472115294647
Energy: 1.1128752668376831
Energy: 1.1761472115274585
Energy: 1.9663538266265324
Energy: 0.8861699509894297
Energy: 1.045519578354998
Energy: 0.8861699508029282
Energy: 1.9357102636490544
Energy: 1.002967061809514
Energy: 1.223141569384542
Energy: 1.0029670618121886
Energy: 1.7528152276091766
Energy: 0.998695264502093
Energy: 0.9968693233032798
Energy: 0.9986952645027617
Energy: 1.9847030263625285
Energy: 0.8878792894835822
Energy: 0.888194335461374
Energy: 0.8878792894842508
Energy: 2.164302390412652
Energy: 0.8859828970143403
Energy: 0.997702948612524
Energy: 0.8859828970136716

minimum gb energy = 0.8850016569407401 eV
minimum distance =  2.48535087640161 Angstroms
sigma value = 15


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

Energy: 1.8707538807753874
Energy: 0.8770869739278475
Energy: 1.1876889481778883
Energy: 0.8849089483817857
Energy: 2.0174608686697204
Energy: 0.8223572426164122
Energy: 1.0182684612179111
Energy: 0.8223572426118805
Energy: 1.8609095881070976
Energy: 1.0106213897681073
Energy: 0.9637614871021097
Energy: 1.010621389767541
Energy: 1.8733079310513512
Energy: 1.061480157995878
Energy: 1.4118121672346922
Energy: 1.061480158020236
Energy: 1.9367806215666843
Energy: 1.160897972884745
Energy: 1.3013143765508917
Energy: 1.1608979728836122
Energy: 1.6828673337658897
Energy: 1.261482325910702
Energy: 1.3240397481175727
Energy: 1.2614823259112684
Energy: 1.4726231543021522
Energy: 1.3382277013495407
Energy: 1.5441176052636585
Energy: 1.3382277013495407
Energy: 1.8057638851142999
Energy: 1.3308384417787547
Energy: 1.2760657527178445
Energy: 1.330838441779321
Energy: 1.4427083457147905
Energy: 1.3189702724834556
Energy: 1.5648314239102779
Energy: 1.3189702724834556
Energy: 1.441714749221218
Energy: 1.3378567915066635
Energy: 1.8163123897430347
Energy: 1.3378567915060973
Energy: 1.3708018023913782
Energy: 1.2602450719099345
Energy: 1.6682766447316724
Energy: 1.2602450683846516
Energy: 1.0904872843639648
Energy: 1.2643303586662842
Energy: 1.7482997429553206
Energy: 1.2643303586668506
Energy: 1.3218345729319563
Energy: 1.2738924221823569
Energy: 1.8021174360921919
Energy: 1.2738924221823569
Energy: 1.0138571732514412
Energy: 1.0161544341069786
Energy: 1.6700593016446275
Energy: 1.016154434109811
Energy: 0.9552634558729407
Energy: 1.0143478793524696
Energy: 1.9679894054963418
Energy: 1.014347879347938
Energy: 1.1195938473623546
Energy: 0.915866874124871
Energy: 1.8063291026869432
Energy: 0.915866874124871
Energy: 0.9116424924868216
Energy: 0.917704927641637
Energy: 1.8145788227892063
Energy: 0.9177049276348395
Energy: 0.8190932301222879
Energy: 0.8198336594549782
Energy: 2.01309586801031
Energy: 0.8198336594555446
Energy: 0.9121495443053639
Energy: 0.9144269445598611
Energy: 1.7647864900116075
Energy: 0.914426944558728
Energy: 1.1866558372027363
Energy: 0.9154239350520263
Energy: 1.9011836369736796
Energy: 0.9154239349325531
Energy: 0.9510466896392987
Energy: 1.041593092072937
Energy: 1.9302581011049744
Energy: 1.0415930920769023
Energy: 1.0547354668717832
Energy: 1.0137270924217427
Energy: 1.8776921777446824
Energy: 1.0137270924891524
Energy: 1.3277813613612164
Energy: 1.2748474971083024
Energy: 1.6801903172231214
Energy: 1.2748474971071693
Energy: 1.2792220835101185
Energy: 1.313719537142281
Energy: 1.7738658021507892
Energy: 1.313719537141148
Energy: 1.3422639656993276
Energy: 1.267942793474338
Energy: 1.4640215256065818
Energy: 1.267942793468107
Energy: 1.542551486445944
Energy: 1.3309011179093588
Energy: 1.8177777010398743
Energy: 1.3309011179087924
Energy: 1.3022122744461657
Energy: 1.3271429318665844
Energy: 1.544623729041935
Energy: 1.3271429318660182
Energy: 1.5805601193500807
Energy: 1.498752280490321
Energy: 1.4650280755403653
Energy: 1.4987522804897544
Energy: 1.6048126137858147
Energy: 1.3432747816364152
Energy: 1.5480766422218426
Energy: 1.3432747816364152
Energy: 1.5626424523042992
Energy: 1.2731909638616459
Energy: 1.328253468420416
Energy: 1.2731909638599466
Energy: 1.9641141675559972
Energy: 1.0830377762665564
Energy: 1.0902760115288224
Energy: 1.0830377762682557
Energy: 1.6715134278149255
Energy: 1.065556785348727
Energy: 1.4037170176594103
Energy: 1.0655567853481607
Energy: 1.8026326630148144
Energy: 1.014509870574018
Energy: 1.0193770042127388
Energy: 1.0145098706448263
Energy: 1.9861941599699322
Energy: 0.8219781415051434
Energy: 1.0182308172854269
Energy: 0.8219781415051434
Energy: 2.08472252719269
Energy: 0.9156294678186118
Energy: 1.1727343879552103
Energy: 0.9156294678452357
Energy: 1.9886738536441884
Energy: 0.8211285689147595
Energy: 0.8280579634753238
Energy: 0.8211285689158925
Energy: 1.9533110102981825
Energy: 0.8203449358637591
Energy: 0.8305085046503495
Energy: 0.8203449358643256

minimum gb energy = 0.8190932301222879 eV
minimum distance =  2.48369705766655 Angstroms
sigma value = 85


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

Energy: 2.0914057044590235
Energy: 0.9333347232698243
Energy: 1.1408495753505743
Energy: 1.1712702605541243
Energy: 2.061035355594041
Energy: 0.745727882016755
Energy: 0.915267305029102
Energy: 0.7457278820172465
Energy: 1.7631314848197257
Energy: 0.9140546250360642
Energy: 0.8644941851914262
Energy: 0.9140546250385206
Energy: 1.731125766051511
Energy: 0.9631319421595608
Energy: 1.2441201090501275
Energy: 0.9631319421688954
Energy: 1.9758574134761024
Energy: 1.1329591614804781
Energy: 1.163574715006823
Energy: 1.1329591614809693
Energy: 1.553469572398556
Energy: 1.1442957729127041
Energy: 1.207698016696426
Energy: 1.1442957729117216
Energy: 1.6968928800076912
Energy: 1.1897989579835355
Energy: 1.3789692895757224
Energy: 1.189798957984518
Energy: 1.8270931951799467
Energy: 1.2321433293921416
Energy: 1.2145225039241325
Energy: 1.2321433293926327
Energy: 1.5595638698318366
Energy: 1.2095547379628349
Energy: 1.4333183446879985
Energy: 1.2095547379633262
Energy: 1.5578944946394364
Energy: 1.2254708034958095
Energy: 1.671412788693868
Energy: 1.2254708034963009
Energy: 1.3996867126153705
Energy: 1.2058749931635282
Energy: 1.5525726352441385
Energy: 1.2058749931654935
Energy: 1.3863241110732818
Energy: 1.2018234598480082
Energy: 1.6129047591639154
Energy: 1.2018234598494821
Energy: 1.3893683955930825
Energy: 1.20749391543335
Energy: 1.6589292087782705
Energy: 1.2074939154323674
Energy: 1.2438317203390414
Energy: 1.123199645258176
Energy: 1.556128623824163
Energy: 1.1231996452571935
Energy: 1.0518561848289871
Energy: 1.1246892818500056
Energy: 1.7810727573057783
Energy: 1.1246892818500056
Energy: 1.2718849673626378
Energy: 0.8851997294561594
Energy: 1.661061903530174
Energy: 0.8851997294576334
Energy: 0.8873888779119392
Energy: 0.8746849594044538
Energy: 1.6618248969827911
Energy: 0.8746849594039625
Energy: 0.8807149348402447
Energy: 0.8943689712694463
Energy: 1.9943888255870523
Energy: 0.8943689712748505
Energy: 1.0055376172837258
Energy: 0.9873708779966107
Energy: 1.864473313150177
Energy: 0.9873708779971021
Energy: 0.966111964674864
Energy: 0.9556379915993026
Energy: 1.8654407234129433
Energy: 0.9556379916002852
Energy: 0.8002894142526478
Energy: 0.7423523972917948
Energy: 2.055794616563513
Energy: 0.7423523972922861
Energy: 0.8563863147643465
Energy: 0.743837534993937
Energy: 2.0044725719396532
Energy: 0.743837534993937
Energy: 1.091710692685164
Energy: 0.7425761383228305
Energy: 1.8735871045319776
Energy: 0.7425761383218481
Energy: 0.9195131433743353
Energy: 0.9998601988361421
Energy: 1.8761353172688802
Energy: 0.9998601988346681
Energy: 1.0873297035071117
Energy: 1.0400055142513116
Energy: 1.7285748970767294
Energy: 1.0400055142513116
Energy: 1.1629445922444233
Energy: 1.0888001825193498
Energy: 1.9862439832967433
Energy: 1.0888001825222975
Energy: 1.1616720427001113
Energy: 1.0963309309734235
Energy: 1.7516972602306824
Energy: 1.0963309309748526
Energy: 1.402106415921578
Energy: 1.1158602212555588
Energy: 1.7296132723247526
Energy: 1.1158602212565418
Energy: 1.4021298819336891
Energy: 1.1956219344571428
Energy: 1.8666544374976584
Energy: 1.19562193445616
Energy: 1.3829773566040797
Energy: 1.194340625787182
Energy: 1.5539062225142581
Energy: 1.1943406257891473
Energy: 1.6676662090555938
Energy: 1.214218973119123
Energy: 1.3847847963324542
Energy: 1.2142189731176491
Energy: 1.5571651879722799
Energy: 1.2519197932263217
Energy: 1.6108911443988483
Energy: 1.2519197932263217
Energy: 1.6107977263013102
Energy: 1.2128070392812613
Energy: 1.3423510391955398
Energy: 1.2128070392842092
Energy: 1.8612146780632663
Energy: 1.2111310271747937
Energy: 1.357697592666189
Energy: 1.2111310271747937
Energy: 1.551756312463113
Energy: 1.1454497001914377
Energy: 1.3902795405941906
Energy: 1.1454497001924202
Energy: 1.7777038834725472
Energy: 1.1577037561430534
Energy: 1.1453190667631123
Energy: 1.1577037561430534
Energy: 1.8733341059958124
Energy: 0.9692749845743914
Energy: 1.1886792298274298
Energy: 0.9692749845724262
Energy: 1.9103365319601004
Energy: 0.9382396475199458
Energy: 0.9312782663302108
Energy: 0.9382396475169981
Energy: 1.974861480309651
Energy: 0.9167213399605091
Energy: 0.8625358444202371
Energy: 0.9167213399600178
Energy: 1.8645609762398172
Energy: 0.8279243739481505
Energy: 1.0232983958982118
Energy: 0.8279243739466766
Energy: 1.9151230022998114
Energy: 0.8270955142059903
Energy: 0.826274657789801
Energy: 0.8270955142059903
Energy: 2.0640169208794887
Energy: 0.7454169122070097
Energy: 0.7463268167990867
Energy: 0.7454169122079922
Energy: 1.7607570846872804
Energy: 0.827264585767471
Energy: 0.8257509628368672
Energy: 0.8272645857684535

minimum gb energy = 0.7423523972917948 eV
minimum distance =  2.48489741041788 Angstroms
sigma value = 113


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

Energy: 0.021443149848766718
Energy: 0.801838808690723
Energy: 1.5487409229372995
Energy: 0.02249439390362473
Energy: 0.8851861357220215
Energy: 0.13589228507672074
Energy: 0.885012141076457
Energy: 0.13589228507672074
Energy: 0.023242602192473708
Energy: 0.13342922995026502
Energy: 0.8829261432220186
Energy: 0.13342922995026502
Energy: 0.024459631659998555
Energy: 0.13354208680358967
Energy: 0.8819790401263622
Energy: 0.1335420868039674
Energy: 0.8870524007142975
Energy: 0.13308437009564517
Energy: 1.3790253273715516
Energy: 0.1330843700963586
Energy: 0.02211440089866443
Energy: 0.1330589076445747
Energy: 0.8840280499524387
Energy: 0.1330589076449524

minimum gb energy = 0.021443149848766718 eV
minimum distance =  2.73564578985947 Angstroms
sigma value = 1