Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_001
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=3.521391749382019
cohesive_energy=4.450350014532299
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: 0.018148564575269813
Energy: 0.018406575902719387
Energy: 1.4669396565911657
Energy: 0.018406575902719387
Energy: 0.018406575902719387
Energy: 1.2243224787607156
Energy: 0.018406575902719387
Energy: 1.2243224787607156
Energy: 1.466939656593112
Energy: 0.018406575902719387
Energy: 0.018148564575269813
Energy: 0.018406575902719387
Energy: 0.018406575902719387
Energy: 1.2243224787607156
Energy: 0.018406575902719387
Energy: 1.2243224787607156

minimum gb energy = 0.018148564575269813 eV
minimum distance =  2.42645595695282 Angstroms
sigma value = 1


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

Energy: 1.5679838499471481
Energy: 1.5483741966144737
Energy: 1.4556801360243183
Energy: 1.5483741966144737
Energy: 1.4452131442965097
Energy: 1.4950057420987568
Energy: 1.4530568110065478
Energy: 1.4950057420987568
Energy: 1.4030911980283676
Energy: 1.5344899463025021
Energy: 1.4889313937224227
Energy: 1.5344899463025021
Energy: 1.4369831770775203
Energy: 1.507087811496097
Energy: 1.4015831099483056
Energy: 1.507087811496097
Energy: 1.4089962597989925
Energy: 1.5543594100282854
Energy: 1.4702886986074453
Energy: 1.554359410029087
Energy: 1.3782765906060988
Energy: 1.7182051977031516
Energy: 1.376903327662552
Energy: 1.7182051977031516
Energy: 1.4493269586977588
Energy: 1.531943453290713
Energy: 1.3800259989509536
Energy: 1.531943453290713
Energy: 1.3209154732446935
Energy: 1.5576045675435648
Energy: 1.3764584166391562
Energy: 1.5576045675443666
Energy: 1.4006735269696349
Energy: 1.7421578870117864
Energy: 1.4607937622694604
Energy: 1.7421578870109848
Energy: 1.3650378085884893
Energy: 1.533179866128497
Energy: 1.3130211991213414
Energy: 1.5331798661276952
Energy: 1.473108108781359
Energy: 1.5133769411034057
Energy: 1.4006912970256615
Energy: 1.5133769411042073
Energy: 1.4633963886056032
Energy: 1.5568860922782648
Energy: 1.3808532011559655
Energy: 1.5568860922790664
Energy: 1.4509831813746992
Energy: 1.5305620433258664
Energy: 1.4473860527126454
Energy: 1.5305620433234615
Energy: 1.4173175846278279
Energy: 1.5392533616091337
Energy: 1.3897757986003731
Energy: 1.5392533616083321
Energy: 1.4310139972072253
Energy: 1.5493048006085324
Energy: 1.4450332719966426
Energy: 1.5493048006085324
Energy: 1.4291602946720232
Energy: 1.5488517966637594
Energy: 1.444500501832881
Energy: 1.5488517966645612
Energy: 1.4890256187295363
Energy: 1.5344885711385232
Energy: 1.3589389470676685
Energy: 1.5344885711385232
Energy: 1.4530378304091482
Energy: 1.5033843476000504
Energy: 1.4837707735449748
Energy: 1.5033843475992488
Energy: 1.33490057648468
Energy: 1.5544396342310864
Energy: 1.3792823479187801
Energy: 1.5544396342310864
Energy: 1.483695700698689
Energy: 1.9424085798967947
Energy: 1.403165213915825
Energy: 1.9424085798967947
Energy: 1.3799061731754534
Energy: 1.5345829499651085
Energy: 1.3259029516995589
Energy: 1.53458294996591
Energy: 1.4010630766103136
Energy: 1.6656606896433281
Energy: 1.4628012180808858
Energy: 1.6656606896433281
Energy: 1.4312699810736977
Energy: 1.5545597221154697
Energy: 1.3634021799117333
Energy: 1.554559722114668
Energy: 1.4136555119356111
Energy: 1.5303573446170493
Energy: 1.3780721424546465
Energy: 1.530357344617851
Energy: 1.3803246601332688
Energy: 1.7189043674698026
Energy: 1.4509070171036376
Energy: 1.7189043674690008
Energy: 1.4057825411278748
Energy: 1.5551191650358454
Energy: 1.3945991114646235
Energy: 1.5551191650350438
Energy: 1.4406134975130231
Energy: 1.747083785569906
Energy: 1.4006745247991603
Energy: 1.747083785569906
Energy: 1.3913221710758765
Energy: 1.5305518230876405
Energy: 1.5459709442802365
Energy: 1.530551823086839
Energy: 1.4442709077021767
Energy: 1.491317641248868
Energy: 1.4477563241922125
Energy: 1.491317641248868
Energy: 1.5148224293262775
Energy: 1.550037341641255
Energy: 1.4632494497094513
Energy: 1.5500373416404531
Energy: 1.4494485827187087
Energy: 1.5378300903085473
Energy: 1.4509014906170805
Energy: 1.5378300903085473
Energy: 1.415697529803975
Energy: 1.529719479843663
Energy: 1.4172032971526183
Energy: 1.529719479843663
Energy: 1.4087906635146856
Energy: 1.5076878461389651
Energy: 1.4059881887627836
Energy: 1.5076878461381635

minimum gb energy = 1.3130211991213414 eV
minimum distance =  2.23418724296193 Angstroms
sigma value = 1


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

Energy: 1.664604036350324
Energy: 1.647400623217021
Energy: 1.5480376599657422
Energy: 1.647400623217935
Energy: 1.4951008153112089
Energy: 1.5878928817032043
Energy: 1.5109169305854953
Energy: 1.5878928817050322
Energy: 1.4562670159379705
Energy: 1.650554951311051
Energy: 1.531709987345449
Energy: 1.6505549513128792
Energy: 1.4486758799541388
Energy: 1.463294549768618
Energy: 1.4332396190526464
Energy: 1.46329454977136
Energy: 1.4487923258137427
Energy: 1.6201605144775608
Energy: 1.5044449717621586
Energy: 1.6201605144757327
Energy: 1.5502507379427573
Energy: 1.6199914983299086
Energy: 1.53207768334193
Energy: 1.6199914983299086
Energy: 1.4953008504168488
Energy: 1.6968996120084558
Energy: 1.453183459466777
Energy: 1.69689961200937
Energy: 1.3669818457700111
Energy: 1.6510914742840734
Energy: 1.4208453221258202
Energy: 1.6510914742849874
Energy: 1.4493798297916143
Energy: 2.080461019406614
Energy: 1.550481924999878
Energy: 2.0804610194075286
Energy: 1.4373742001497598
Energy: 1.6506703852952478
Energy: 1.5063897192747393
Energy: 1.650670385296162
Energy: 1.496511842735893
Energy: 1.5678186430272232
Energy: 1.518133243958602
Energy: 1.567818643026309
Energy: 1.4093966564885512
Energy: 1.6319492688489066
Energy: 1.478649709009667
Energy: 1.6319492688516488
Energy: 1.5350099942936295
Energy: 1.6144948570685733
Energy: 1.500786578271648
Energy: 1.6144948570649171
Energy: 1.5347359316512037
Energy: 1.6145182029741907
Energy: 1.4600905118188319
Energy: 1.6145182029723628
Energy: 1.4092330924923597
Energy: 1.6319257093068753
Energy: 1.5734580494875676
Energy: 1.6319257093050474
Energy: 1.4959309178074305
Energy: 1.5677358461538111
Energy: 1.510768550029597
Energy: 1.5677358461538111
Energy: 1.4376131747984775
Energy: 1.6503694687305928
Energy: 1.3902460429991912
Energy: 1.6503694687296788
Energy: 1.4495433133687812
Energy: 2.0796316279120304
Energy: 1.5504058019232763
Energy: 2.0796316279129443
Energy: 1.3669636657554307
Energy: 1.6504085232012355
Energy: 1.4208950781980938
Energy: 1.6504085232012355
Energy: 1.4951870447806237
Energy: 1.6961427608329585
Energy: 1.4330078936835418
Energy: 1.6961427608338726
Energy: 1.5501867053941405
Energy: 1.6200162065863317
Energy: 1.4027804490202926
Energy: 1.6200162065863317
Energy: 1.448770759759655
Energy: 1.6208583604352091
Energy: 1.5061840290067832
Energy: 1.620858360433381
Energy: 1.449055432682386
Energy: 1.4631665582172346
Energy: 1.4303267500745884
Energy: 1.4631665582172346
Energy: 1.4562807049712612
Energy: 1.6505693018741014
Energy: 1.576508608292613
Energy: 1.6505693018750154
Energy: 1.495255966038541
Energy: 1.5938111897513234
Energy: 1.510673899649741
Energy: 1.593811189754065
Energy: 1.66460403634941
Energy: 1.647400623217021
Energy: 1.5480376599666563
Energy: 1.647400623217021
Energy: 1.495100815312123
Energy: 1.5878928817022901
Energy: 1.5109169305854953
Energy: 1.5878928817050322
Energy: 1.4562670159388846
Energy: 1.650554951311965
Energy: 1.478947837884656
Energy: 1.6505549513128792
Energy: 1.4486758799532247
Energy: 1.463294549768618
Energy: 1.4332396190526464
Energy: 1.4632945497704462

minimum gb energy = 1.3669636657554307 eV
minimum distance =  2.23460176064724 Angstroms
sigma value = 25


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

Energy: 1.5628337758791497
Energy: 1.7144448176361302
Energy: 1.7057522309914568
Energy: 1.7144448176361302
Energy: 1.588284752562163
Energy: 1.641990272518833
Energy: 1.5242930644164456
Energy: 1.641990272518833
Energy: 1.5305356639614227
Energy: 1.7695649143024557
Energy: 1.5312376316850624
Energy: 1.7695649143024557
Energy: 1.5328000351882436
Energy: 1.5398796238145411
Energy: 1.4860663098958302
Energy: 1.5398796238145411
Energy: 1.4869598391130945
Energy: 1.7421644709188415
Energy: 1.5840439772626198
Energy: 1.7421644709188415
Energy: 1.6382700426016399
Energy: 1.7676837698460297
Energy: 1.7469488902822374
Energy: 1.767683769844967
Energy: 1.5862410416194421
Energy: 1.8123130006896857
Energy: 1.5252000308540006
Energy: 1.8123130006896857
Energy: 1.7450387268453456
Energy: 1.7217114659279442
Energy: 1.4435955443347195
Energy: 1.7217114659279442
Energy: 1.5244520611980577
Energy: 1.6415011883269095
Energy: 1.5860401346064292
Energy: 1.6415011883258468
Energy: 1.526781948475272
Energy: 1.768252898550275
Energy: 1.476276262139991
Energy: 1.768252898550275
Energy: 1.5833127953232227
Energy: 1.7120861737673256
Energy: 1.5859527718644608
Energy: 1.7120861737683883
Energy: 1.5484154999283262
Energy: 1.7142950189134305
Energy: 1.5230788062356788
Energy: 1.7142950189134305
Energy: 1.5309629631823407
Energy: 1.6616466058634047
Energy: 1.4743264197420018
Energy: 1.6616466058623904
Energy: 1.5242137096017407
Energy: 1.63025682552292
Energy: 1.5979595222034613
Energy: 1.6302568255218572
Energy: 1.5851002868137138
Energy: 1.7239230164806083
Energy: 1.4425913029712962
Energy: 1.723923016479546
Energy: 1.5865840654432064
Energy: 1.5338468581814075
Energy: 1.486064913196435
Energy: 1.5338468581814075
Energy: 1.4222994290039184
Energy: 1.7697248836704997
Energy: 1.4221445838046838
Energy: 1.7697248836704997
Energy: 1.485648278276961
Energy: 1.6517137886612117
Energy: 1.585358515669445
Energy: 1.6517137886622744
Energy: 1.5177361566889203
Energy: 1.6725903973021743
Energy: 1.4867809497842177
Energy: 1.6725903973032368
Energy: 1.5984838273106061
Energy: 1.7673201379883219
Energy: 1.5329814242683635
Energy: 1.7673201379883219
Energy: 1.5341912611639905
Energy: 1.641164141328811
Energy: 1.5233449018268848
Energy: 1.641164141328811
Energy: 1.5636377635863365
Energy: 1.7156580140709867
Energy: 1.6500679921342754
Energy: 1.715658014069924
Energy: 1.5863833181161393
Energy: 1.652083625036754
Energy: 1.523100270925149
Energy: 1.6520836250356916
Energy: 1.5283943880785393
Energy: 1.7679501025435904
Energy: 1.5270297836383773
Energy: 1.7679501025425277
Energy: 1.587058149150432
Energy: 1.5396522948523303
Energy: 1.4870190255055833
Energy: 1.5396522948523303

minimum gb energy = 1.4221445838046838 eV
minimum distance =  2.2365420289016 Angstroms
sigma value = 9


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

Energy: 1.6298672063479176
Energy: 1.6300487287655299
Energy: 1.8793077917889958
Energy: 1.6300487287667973
Energy: 1.5687821295368267
Energy: 1.726620587865752
Energy: 1.589208013715927
Energy: 1.726620587865752
Energy: 1.6050195513098562
Energy: 1.6469367038160245
Energy: 1.6224023600099706
Energy: 1.6469367038160245
Energy: 1.89901116522095
Energy: 1.6143043064167806
Energy: 1.5197424249791527
Energy: 1.6143043064180482
Energy: 1.7337703483479674
Energy: 1.7277727270303807
Energy: 1.878679318083376
Energy: 1.7277727270303807
Energy: 1.4686393025563222
Energy: 1.6460052700736774
Energy: 1.640921735218048
Energy: 1.64600527007241
Energy: 1.5839530910840731
Energy: 1.518888400137292
Energy: 1.5199491460409666
Energy: 1.5188884001360246
Energy: 1.6666387583678497
Energy: 1.6459086243980707
Energy: 1.5021221765162405
Energy: 1.6459086243980707
Energy: 1.5846062564500731
Energy: 1.7265314821944302
Energy: 1.6892643719169935
Energy: 1.7265314821956979
Energy: 1.6231215352167998
Energy: 1.6307922527907512
Energy: 1.6408438956000821
Energy: 1.6307922527920187
Energy: 1.5284136225379485
Energy: 1.7432553518106508
Energy: 1.6056014419202653
Energy: 1.743255351811918
Energy: 1.6246807385900013
Energy: 1.7166318578937134
Energy: 1.5200023079467297
Energy: 1.7166318578937134
Energy: 1.4683452489397868
Energy: 1.6470779128076614
Energy: 1.6646615574970243
Energy: 1.647077912808929
Energy: 1.6028111033163024
Energy: 1.601495994399077
Energy: 1.588195866894246
Energy: 1.601495994399077
Energy: 1.4683564769194881
Energy: 1.647059509826034
Energy: 1.6669526183962924
Energy: 1.647059509823499
Energy: 1.6244124947046406
Energy: 1.7166673835785649
Energy: 1.5201235580074302
Energy: 1.7166673835798325
Energy: 1.528655988683761
Energy: 1.7432773952791605
Energy: 1.6200744353812777
Energy: 1.7432773952791605
Energy: 1.6231521137948106
Energy: 1.6306089974016857
Energy: 1.6410094601188108
Energy: 1.6306089974016857
Energy: 1.584822882308535
Energy: 1.7268878543035915
Energy: 1.589363720970876
Energy: 1.7268878543035915
Energy: 1.6668179139659411
Energy: 1.646167414563183
Energy: 1.502127594210797
Energy: 1.6461674145619152
Energy: 1.584101901948589
Energy: 1.5190218881799504
Energy: 1.5201349755991491
Energy: 1.5190218881799504

minimum gb energy = 1.4683452489397868 eV
minimum distance =  2.32930110734229 Angstroms
sigma value = 25


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

Energy: 1.5413561858144802
Energy: 1.8897323534115977
Energy: 1.7424862357556177
Energy: 1.8897323534115977
Energy: 1.5136700169198698
Energy: 1.5557631395366782
Energy: 1.4939026315746238
Energy: 1.5557631395366782
Energy: 1.7043519200810826
Energy: 1.7947410545345486
Energy: 1.494285791784964
Energy: 1.7947410545329812
Energy: 1.5402083811391605
Energy: 1.7782984465459541
Energy: 1.7535667298690123
Energy: 1.778298446560062
Energy: 1.7526525160444228
Energy: 1.5133363633252688
Energy: 1.493795169929845
Energy: 1.5133363633252688
Energy: 1.4934140806662883
Energy: 1.794512520913957
Energy: 1.7025613271890732
Energy: 1.7945125209123893
Energy: 1.4950979128795503
Energy: 1.7350564775318649
Energy: 1.493355145633596
Energy: 1.7350564775318649
Energy: 1.732567705814909
Energy: 1.6297174056512624
Energy: 1.5403462780104022
Energy: 1.6297174056121095
Energy: 1.49418719872852
Energy: 1.633077021449417
Energy: 1.515972413041218
Energy: 1.6330770214478494
Energy: 1.793140475885295
Energy: 1.661997036092637
Energy: 1.7023622603703459
Energy: 1.661997036092637
Energy: 1.6471348108530468
Energy: 1.7775094025966731
Energy: 1.9858517342576996
Energy: 1.7775094025951057
Energy: 1.4937629837439348
Energy: 1.5624006555578487
Energy: 1.793822043567953
Energy: 1.5624006555594163
Energy: 1.7423782696313295
Energy: 1.7948128201133349
Energy: 1.493320174298099
Energy: 1.7948128201133349
Energy: 1.4940672052941766
Energy: 1.75993977313851
Energy: 1.7501884726990402
Energy: 1.7599397731369424
Energy: 1.4936773459989128
Energy: 1.7574641730088012
Energy: 1.732557972682747
Energy: 1.7574641709013745
Energy: 1.5133476665268604
Energy: 1.6619243775754833
Energy: 1.493515599721409
Energy: 1.6619243776146364
Energy: 1.4934227716533937
Energy: 1.6379678707050795
Energy: 1.793465376255838
Energy: 1.6379678707066472

minimum gb energy = 1.493320174298099 eV
minimum distance =  2.32106530880557 Angstroms
sigma value = 17


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

Energy: 1.6731369349011989
Energy: 1.6736686564749343
Energy: 2.028300981430383
Energy: 1.6736686564749343
Energy: 1.763407861025763
Energy: 1.7048461753798634
Energy: 1.526726426288563
Energy: 1.7048461753807513
Energy: 1.9352178110629827
Energy: 1.6644199829955861
Energy: 1.5250786065505688
Energy: 1.6644199829973618
Energy: 1.527873315854602
Energy: 1.8661241733145477
Energy: 1.6836350984652297
Energy: 1.8661241733145477
Energy: 1.8238737081139302
Energy: 1.6444180243627529
Energy: 1.6011948193163525
Energy: 1.6444180243627529
Energy: 1.5449915435319577
Energy: 1.6962218880819269
Energy: 1.9026900509206157
Energy: 1.6962218880810394
Energy: 1.527893293428133
Energy: 1.70248990959391
Energy: 1.614936717087865
Energy: 1.7024899095930222
Energy: 1.9340750187688536
Energy: 1.6955581478482347
Energy: 1.5429968558767526
Energy: 1.6955581478482347
Energy: 1.544368523314595
Energy: 1.6980287737683573
Energy: 1.817859688333599
Energy: 1.6980287737674695
Energy: 1.924658711057375
Energy: 1.6431269694368669
Energy: 1.5262205981789916
Energy: 1.6431269694368669
Energy: 1.5315864770420908
Energy: 1.7085917029596176
Energy: 1.9314987814620816
Energy: 1.7085917029622808
Energy: 1.5443047042609361
Energy: 1.700491120388683
Energy: 1.5445386222974966
Energy: 1.7004911203877953
Energy: 1.7557132775475748
Energy: 1.6736546808705708
Energy: 1.6799144435566409
Energy: 1.6736546808696833
Energy: 1.5254685256824345
Energy: 1.7230475501771678
Energy: 1.7654048485224627
Energy: 1.7230475501709535
Energy: 1.6971993455619474
Energy: 1.7034113420475876
Energy: 1.5442512251237412
Energy: 1.7034113420466996
Energy: 1.7595301734922062
Energy: 1.6945704254966163
Energy: 1.7941693101068967
Energy: 1.6945704254548906
Energy: 1.614393240169291
Energy: 1.765098220772818
Energy: 1.934635068433141
Energy: 1.7650982207719306
Energy: 1.874947084775142
Energy: 1.6691875703621086
Energy: 1.544800128655147
Energy: 1.6691875703612207
Energy: 1.6943754473641843
Energy: 1.7616969682134225
Energy: 1.6325602143899127
Energy: 1.7616969682143104
Energy: 1.6133504392374631
Energy: 1.866996305296192
Energy: 1.6631180781841242
Energy: 1.866996305296192
Energy: 1.658783818678928
Energy: 1.6637444827741847
Energy: 1.7885448219866695
Energy: 1.6637444827732972
Energy: 1.613529472266544
Energy: 1.8469769181867834
Energy: 1.960242918193325
Energy: 1.8469769181858957
Energy: 1.8092190277034135
Energy: 1.6736323502919435
Energy: 1.5247885757327926
Energy: 1.6736323502919435
Energy: 1.5444015720456246
Energy: 1.7615744543584277
Energy: 1.9156502386655623
Energy: 1.76157445435754
Energy: 1.6475902205515185
Energy: 1.6640569331900705
Energy: 1.9201119707145025
Energy: 1.6640569331882948
Energy: 1.8101432622593479
Energy: 1.7088776174425722
Energy: 1.5268376634632592
Energy: 1.7088776174425722
Energy: 1.567498951727099
Energy: 1.7743826432968455
Energy: 1.9914070260211518
Energy: 1.7743826432950698
Energy: 1.756455159019254
Energy: 1.6962828927505484
Energy: 1.7902600497433352
Energy: 1.6962828927514362
Energy: 1.8994255774219297
Energy: 1.8111876249907162
Energy: 1.5273701005060605
Energy: 1.8111876249907162
Energy: 1.5427176759046104
Energy: 1.7591635560488028
Energy: 1.8736044133788978
Energy: 1.759163556047915

minimum gb energy = 1.5247885757327926 eV
minimum distance =  2.21524981483521 Angstroms
sigma value = 53


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

Energy: 1.4290675115396994
Energy: 1.4287346616978809
Energy: 1.9726356333566113
Energy: 1.4287346616978809
Energy: 1.7944222898019062
Energy: 1.6216753982471372
Energy: 1.7909253437527002
Energy: 1.6216753982450933
Energy: 1.4607369148393838
Energy: 1.4286163383439567
Energy: 1.7673162651780452
Energy: 1.428616338341913
Energy: 1.4607734641800343
Energy: 1.428714070906257
Energy: 1.6585609794291765
Energy: 1.4287140709083008
Energy: 1.7944484001892826
Energy: 1.6216187224392435
Energy: 1.7358189791237928
Energy: 1.6216187224412877
Energy: 1.4290675115396994
Energy: 1.4287346616978809
Energy: 1.9729485393319506
Energy: 1.4287346616978809
Energy: 1.7944222898019062
Energy: 1.6216753982471372
Energy: 1.7909253437527002
Energy: 1.6216753982471372
Energy: 1.4607369148393838
Energy: 1.4286163383439567
Energy: 1.7673162651800889
Energy: 1.4286163383439567
Energy: 1.4607734641800343
Energy: 1.4287140709083008
Energy: 1.6312879012016355
Energy: 1.4287140709083008
Energy: 1.7944484001892826
Energy: 1.6216187224412877
Energy: 1.730126775989944
Energy: 1.6216187224412877
Energy: 1.4290675115396994
Energy: 1.4287346616978809
Energy: 2.1463561024660818
Energy: 1.4287346616978809
Energy: 1.7944222898019062
Energy: 1.6216753982450933
Energy: 1.7909253437506563
Energy: 1.6216753982450933
Energy: 1.4607369148414278
Energy: 1.4286163383460009
Energy: 1.7673162651780452
Energy: 1.4286163383439567

minimum gb energy = 1.428616338341913 eV
minimum distance =  2.2963184121127 Angstroms
sigma value = 9


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

Energy: 1.6366892026979256
Energy: 1.7984616409333112
Energy: 2.19545328766538
Energy: 1.7984616409370935
Energy: 1.9739265968963868
Energy: 1.723883110283987
Energy: 1.6146366094759825
Energy: 1.7238831102809613
Energy: 1.6349713729274653
Energy: 1.5557634024259552
Energy: 1.5774482824793408
Energy: 1.5557634024244422
Energy: 1.8882449263432701
Energy: 1.886327000515153
Energy: 1.6308765157592735
Energy: 1.886327000516666
Energy: 1.944577386989557
Energy: 1.6730806010467014
Energy: 1.6155960206074984
Energy: 1.6730806010451884
Energy: 1.6178417176540725
Energy: 1.6196509083560346
Energy: 1.9129058775050243
Energy: 1.619650908356791
Energy: 2.173375725213768
Energy: 1.6398824811007195
Energy: 1.6473619460103641
Energy: 1.6398824811022323
Energy: 1.6462943099113325
Energy: 1.8957282245179172
Energy: 1.818044702723997
Energy: 1.8957282245209433
Energy: 1.6388457335472675
Energy: 1.8925656663271575
Energy: 1.6180143187589386
Energy: 1.892565666326401
Energy: 1.6729513422135442
Energy: 1.709470417537034
Energy: 1.6773105187961537
Energy: 1.709470417537034
Energy: 1.6310545430282766
Energy: 1.7595710520972794
Energy: 2.109554106410771
Energy: 1.7595710520972794
Energy: 1.9001645775580793
Energy: 1.7530542941083507
Energy: 1.651807137542889
Energy: 1.753054294105325
Energy: 1.620568064669543
Energy: 1.6814407147751624
Energy: 1.9674458751726276
Energy: 1.6814407147766752
Energy: 1.8861763721382967
Energy: 1.797443985043698
Energy: 1.579789445127655
Energy: 1.7974439850444546
Energy: 1.620327224635757
Energy: 1.7537026201372339
Energy: 1.8588804292541525
Energy: 1.7537026201334518
Energy: 1.6249112280733016
Energy: 1.8912885853784906
Energy: 1.8477106909047931
Energy: 1.89128858538076
Energy: 1.7558376661724278
Energy: 1.8610993350394798
Energy: 1.6214627588152688
Energy: 1.8610993350372107
Energy: 1.6317475294944273
Energy: 1.6402304700640074
Energy: 1.9461587244702911
Energy: 1.6402304700662766
Energy: 1.997889068315981
Energy: 1.7454979144749538
Energy: 1.62167907468658
Energy: 1.7454979144764668
Energy: 1.6154517058505529
Energy: 1.6987558568194712
Energy: 1.8639636653222782
Energy: 1.698755856815689
Energy: 1.8242745676953749
Energy: 1.8839514643239543
Energy: 1.8383171080489238
Energy: 1.8839514643247108
Energy: 1.7673712848964085
Energy: 1.5804603614861663
Energy: 1.6423268796857513
Energy: 1.5804603614846533
Energy: 1.6166296532064992
Energy: 1.7122375562246706
Energy: 1.7222586690562218
Energy: 1.7122375562284529
Energy: 2.07623403733642
Energy: 1.7591484024956183
Energy: 1.6265648534799775
Energy: 1.7591484024963748
Energy: 1.6171181300599784
Energy: 1.7632459806500598
Energy: 2.0900347912479527
Energy: 1.7632459806493035
Energy: 1.7154858519204217
Energy: 1.5542716332964104
Energy: 1.6160977313068383
Energy: 1.5542716332979234
Energy: 1.7461943661800359
Energy: 1.8567737023117565
Energy: 1.876874598975313
Energy: 1.856773702311
Energy: 1.6374362222230818
Energy: 1.8274747803754388
Energy: 1.8874775111266864
Energy: 1.8274747803731695
Energy: 1.7302644385306247
Energy: 1.55351508977621
Energy: 1.6146113367067985
Energy: 1.553515089777723
Energy: 1.6165491477521243
Energy: 1.786973767895022
Energy: 2.088882241327106
Energy: 1.786973767895022
Energy: 1.9874113734576178
Energy: 1.7204205986835412
Energy: 1.625066636397847
Energy: 1.720420598682785
Energy: 1.6197860422089259
Energy: 1.7069771988498907
Energy: 1.6999846650980366
Energy: 1.7069771988498907
Energy: 1.6724157255613232
Energy: 1.7771340892804361
Energy: 1.6430624972704473
Energy: 1.7771340892804361
Energy: 1.8443792834891286
Energy: 1.925102484584689
Energy: 1.8282384837941557
Energy: 1.9251024845869582
Energy: 1.6113178903875223
Energy: 1.966019225301869
Energy: 2.0999954308089395
Energy: 1.9660192253003559

minimum gb energy = 1.55351508977621 eV
minimum distance =  2.23685785003065 Angstroms
sigma value = 73


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

Energy: 1.667267374411772
Energy: 1.667366997228493
Energy: 2.051420163514338
Energy: 1.6673669972272926
Energy: 1.7139839217228756
Energy: 1.7039007622548252
Energy: 1.5539386938991286
Energy: 1.7039007622548252
Energy: 1.67868444756971
Energy: 1.6654894680571015
Energy: 1.5908789321682193
Energy: 1.6654894680571015
Energy: 1.6868322299085183
Energy: 1.7995209220321084
Energy: 1.5984653712238397
Energy: 1.7995209220321084
Energy: 1.6983042249729001
Energy: 1.7215789787153335
Energy: 1.590081606011
Energy: 1.7215789787141333
Energy: 1.6290666488283465
Energy: 1.6003384337869384
Energy: 2.0991977674774325
Energy: 1.6003384337881386
Energy: 2.1736582076936513
Energy: 1.8136268241204034
Energy: 1.6534750382669565
Energy: 1.8136268241204034
Energy: 1.6588793176539534
Energy: 1.5530224647951687
Energy: 1.9316412133614629
Energy: 1.5530224647963686
Energy: 2.0965374150009652
Energy: 1.5535051076329693
Energy: 1.5535391815619355
Energy: 1.5535051076329693
Energy: 1.5532279800883815
Energy: 1.7753666124009964
Energy: 1.5527208771737462
Energy: 1.7753666124009964
Energy: 1.6122415326461559
Energy: 1.5536076030774182
Energy: 1.9739693654172346
Energy: 1.5536076030786183
Energy: 1.7839501928785595
Energy: 1.7990174724397767
Energy: 1.644172595999319
Energy: 1.7990174724385766
Energy: 1.6278178228005387
Energy: 1.675972110817055
Energy: 1.910401335007965
Energy: 1.675972110817055
Energy: 2.076782094612914
Energy: 1.7816011932434463
Energy: 1.6829432246843945
Energy: 1.7816011932434463
Energy: 1.6337106807745785
Energy: 1.813681046291168
Energy: 1.9969640639466206
Energy: 1.813681046291168
Energy: 1.9986261187728616
Energy: 1.5534363963594082
Energy: 1.6562730839705595
Energy: 1.5534363963594082
Energy: 1.6656438001934244
Energy: 1.6677855438268017
Energy: 1.5540001276951094
Energy: 1.6677855438268017
Energy: 1.6664729921257728
Energy: 1.798616484843333
Energy: 1.6519244838882694
Energy: 1.798616484843333
Energy: 1.7932643105165942
Energy: 1.5528999096538028
Energy: 1.6548259157181724
Energy: 1.5528999096538028
Energy: 1.6364638177911939
Energy: 1.7492128770268403
Energy: 2.0503164809791
Energy: 1.74921287702564
Energy: 2.087307963900654
Energy: 1.600438719405263
Energy: 1.6836615264138617
Energy: 1.6004387194040628
Energy: 1.5981753138733101
Energy: 1.71441474809244
Energy: 1.860767130528411
Energy: 1.71441474809244

minimum gb energy = 1.5527208771737462 eV
minimum distance =  2.25083109877982 Angstroms
sigma value = 7


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

Energy: 1.5805069389564685
Energy: 1.5816084062586429
Energy: 2.1588581817950625
Energy: 1.5816084062569453
Energy: 2.0324895836378922
Energy: 1.7298449266596807
Energy: 1.6105192655605254
Energy: 1.7298449266596807
Energy: 1.634066853056756
Energy: 1.823342089395226
Energy: 1.5899657767428503
Energy: 1.8233420893994692
Energy: 1.5886419243527978
Energy: 1.6877332909755454
Energy: 1.6104988882098303
Energy: 1.6877332909746967
Energy: 1.6290480217631726
Energy: 1.6852056844167675
Energy: 1.5755827014975192
Energy: 1.6852056844176162
Energy: 1.6284337392025179
Energy: 1.5805126231431315
Energy: 2.0402734728295324
Energy: 1.58051262314398
Energy: 1.7534903232788706
Energy: 1.8310585036678075
Energy: 1.5906186951687036
Energy: 1.8310585036669587
Energy: 1.6289192014816694
Energy: 1.5810144929628849
Energy: 2.1286610028997255
Energy: 1.5810144929620362
Energy: 1.778402093151943
Energy: 1.6709257081317415
Energy: 1.6368728311220209
Energy: 1.6709257081317415
Energy: 1.6085300508679916
Energy: 1.6880541944202991
Energy: 1.7504465871846924
Energy: 1.688054194421148
Energy: 1.5865171754343423
Energy: 1.823069593454456
Energy: 1.5751105170639281
Energy: 1.8230695934536074
Energy: 1.5820027087087845
Energy: 1.6846018746794316
Energy: 1.5755003529256313
Energy: 1.6846018746802802
Energy: 1.5813451036397894
Energy: 1.582903092802748
Energy: 1.576225830590735
Energy: 1.5829030928035965
Energy: 1.5901994611312027
Energy: 1.5748434866972925
Energy: 1.6379959680376421
Energy: 1.5748434866981411
Energy: 1.6093953262093523
Energy: 1.883125517775823
Energy: 1.806323219441729
Energy: 1.883125517775823
Energy: 2.2053468111948833
Energy: 1.5726303471611935
Energy: 1.6532549118168376
Energy: 1.5726303471611935
Energy: 1.6085767336929966
Energy: 1.6855095773905693
Energy: 1.78186039443135
Energy: 1.6855095773914177
Energy: 1.5986967465150785
Energy: 1.8635410848193414
Energy: 1.63791516962241
Energy: 1.8635410848227358
Energy: 1.6084511600511624
Energy: 1.8232670768082493
Energy: 1.6398953008348314
Energy: 1.8232670768107953
Energy: 1.6095740692871416
Energy: 1.6867880011061716
Energy: 1.5737980679572672
Energy: 1.6867880011061716
Energy: 1.5869537380127086
Energy: 1.8206136384250369
Energy: 1.6379595480463092
Energy: 1.8206136384250369
Energy: 1.6281230248088923
Energy: 1.8195802201727964
Energy: 1.7408157849423727
Energy: 1.819580220173645
Energy: 2.0444217420486366
Energy: 1.6745885318275893
Energy: 1.6304397535147777
Energy: 1.6745885318284381
Energy: 1.5868517316538397
Energy: 1.581119044711466
Energy: 2.0704389243626315
Energy: 1.5811190447123147
Energy: 1.6105233264498429
Energy: 1.68757546310007
Energy: 1.5947868923302233
Energy: 1.687575463099221
Energy: 1.5863027267448058
Energy: 1.8195308491292626
Energy: 1.5747884951262194
Energy: 1.8195308491267166
Energy: 1.629766019076476
Energy: 1.6890370445498082
Energy: 1.5963923428311777
Energy: 1.6890370445523544
Energy: 1.6644690394914818
Energy: 1.6846041057036514
Energy: 1.6103783127082902
Energy: 1.6846041057019538
Energy: 1.6419498885492831
Energy: 1.5818840460446297
Energy: 1.784055143546635
Energy: 1.5818840460429324
Energy: 1.5851047354818388
Energy: 1.6337209353056015
Energy: 1.6088442587674507
Energy: 1.6337209353056015
Energy: 1.6419533744442574
Energy: 1.581599872288594
Energy: 2.0166331040098773
Energy: 1.581599872286897

minimum gb energy = 1.5726303471611935 eV
minimum distance =  2.23267919267975 Angstroms
sigma value = 29


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

Energy: 1.482030627347172
Energy: 1.4745962873278955
Energy: 1.9440902253092518
Energy: 1.4745962873273373
Energy: 1.424381489145475
Energy: 1.4829508574823755
Energy: 1.4798551624447553
Energy: 1.4829508574823755
Energy: 1.5990116718790273
Energy: 1.5505833874722794
Energy: 1.7328951058612259
Energy: 1.5505833874722794
Energy: 1.4797548496486255
Energy: 1.424820687955018
Energy: 1.4800450659757203
Energy: 1.424820687954427
Energy: 1.482434051664873
Energy: 1.5228954765569132
Energy: 1.733157295622121
Energy: 1.5228954765572087
Energy: 1.475243016849692
Energy: 1.5515252287866752
Energy: 1.4752719079602346
Energy: 1.5515252287863797
Energy: 1.475296784033442
Energy: 1.5230356309325515
Energy: 1.4824219075734657
Energy: 1.5230356309325515
Energy: 1.4800937728758277
Energy: 1.4246864964208812
Energy: 1.4797513968485436
Energy: 1.4246864964208812
Energy: 1.7328604270239052
Energy: 1.5505723080586642
Energy: 1.7329017001725915
Energy: 1.5505723080586642

minimum gb energy = 1.424381489145475 eV
minimum distance =  2.29299265419279 Angstroms
sigma value = 5


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

Energy: 1.4895012470676103
Energy: 1.4945275568241188
Energy: 1.8695131324029224
Energy: 1.4945275568233172
Energy: 1.7288910949903031
Energy: 1.580983082074629
Energy: 1.507072455139187
Energy: 1.5809830820754305
Energy: 1.4617529841074277
Energy: 1.4881657191617623
Energy: 1.7643488685230702
Energy: 1.4881657191625641
Energy: 1.510040863359278
Energy: 1.570410151958966
Energy: 1.4670913413221565
Energy: 1.570410151958966
Energy: 1.4869432796573143
Energy: 1.5763331971739911
Energy: 1.7284985474700794
Energy: 1.5763331971739911
Energy: 1.5870242100505467
Energy: 1.496292922674557
Energy: 1.4608187575311447
Energy: 1.496292922674557
Energy: 1.4631974671516166
Energy: 1.573988807224751
Energy: 1.4509067993643778
Energy: 1.573988807224751
Energy: 1.4572242550914467
Energy: 1.4969476976385172
Energy: 1.4694521533507072
Energy: 1.4969476976369138
Energy: 1.462574824095104
Energy: 1.5748625512236507
Energy: 1.4937831711461806
Energy: 1.5748625512244525
Energy: 1.462373295474376
Energy: 1.5750178372084807
Energy: 1.5099318937942372
Energy: 1.5750178372084807
Energy: 1.516515514098829
Energy: 1.5712131880932
Energy: 1.4643614131604976
Energy: 1.5712131880915967
Energy: 1.5118260222995719
Energy: 1.4797145531543276
Energy: 1.494440530735223
Energy: 1.479714553155129
Energy: 1.6594724965706336
Energy: 1.4960880533277876
Energy: 1.493345237899801
Energy: 1.4960880533277876
Energy: 1.4844558521630011
Energy: 1.495228303888654
Energy: 1.4794720621258917
Energy: 1.495228303886249
Energy: 1.830473902190794
Energy: 1.569285642050712
Energy: 1.4644561635930387
Energy: 1.5692856420491086
Energy: 1.465013807803149
Energy: 1.4882138583572806
Energy: 1.8425691850930956
Energy: 1.4882138583564786
Energy: 1.7122006198097677
Energy: 1.48160369593606
Energy: 1.4880405549551945
Energy: 1.4816036959368613
Energy: 1.4699510793651267
Energy: 1.494896160921519
Energy: 1.9904567136167242
Energy: 1.4948961609223206
Energy: 1.5468352189953025
Energy: 1.5768610409370172
Energy: 1.45759686502715
Energy: 1.5768610409370172
Energy: 1.4822334543951434
Energy: 1.5913080830623272
Energy: 1.4731866878880686
Energy: 1.591308083065534
Energy: 1.4788179278047666
Energy: 1.5683184773077763
Energy: 1.4626412701737572
Energy: 1.568318477308578
Energy: 1.5157480594127997
Energy: 1.574734809902875
Energy: 1.4634975816440576
Energy: 1.5747348099036769
Energy: 1.501446375997823
Energy: 1.4962779224565705
Energy: 1.5147473531599644
Energy: 1.4962779224573723
Energy: 1.4938830444616054
Energy: 1.5056982636981109
Energy: 1.507463789730994
Energy: 1.5056982636973093
Energy: 1.4935217808138717
Energy: 1.4888682184679818
Energy: 1.468019458190163
Energy: 1.48886821846718
Energy: 1.5211819204268673
Energy: 1.4954634455922016
Energy: 1.4898069508413796
Energy: 1.4954634455913998
Energy: 1.4670426225893367
Energy: 1.4537250826732624
Energy: 1.5569422206142691
Energy: 1.4537250826732624
Energy: 1.8672045145494998
Energy: 1.5818593742381393
Energy: 1.4647145535271413
Energy: 1.5818593742397427
Energy: 1.4765722884060353
Energy: 1.4694543202146275
Energy: 1.7701220528872248
Energy: 1.4694543202130241
Energy: 1.998883323212182
Energy: 1.63968356043504
Energy: 1.469751856007036
Energy: 1.6396835604358417
Energy: 1.4590050546926951
Energy: 1.4735541458013703
Energy: 1.7416217497379076
Energy: 1.4735541458005688
Energy: 1.7137429673444198
Energy: 1.574504500455823
Energy: 1.4772356976490846
Energy: 1.574504500455823
Energy: 1.4679180338353608
Energy: 1.805415741007361
Energy: 1.5106399731904188
Energy: 1.8054157410065594

minimum gb energy = 1.4509067993643778 eV
minimum distance =  2.220865642194 Angstroms
sigma value = 1


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

Energy: 1.5978467970734007
Energy: 1.599030753885311
Energy: 1.965551938913828
Energy: 1.5990307538864195
Energy: 1.5684772492760264
Energy: 1.5436703863861054
Energy: 1.4322169651564027
Energy: 1.5436703863861054
Energy: 1.4161880052213902
Energy: 1.4416636228486799
Energy: 1.6912724969254829
Energy: 1.4416636228475717
Energy: 1.455839381349027
Energy: 1.5471423757509688
Energy: 1.4317522023798763
Energy: 1.547142375752077
Energy: 1.4272725303309655
Energy: 1.441664696466562
Energy: 1.76536940919553
Energy: 1.441664696466562
Energy: 1.4034622374475472
Energy: 1.4450370458203647
Energy: 1.4316202196549226
Energy: 1.4450370458192563
Energy: 1.4159401118119774
Energy: 1.5931377031811946
Energy: 1.4347835925184622
Energy: 1.5931377031800862
Energy: 1.412930160352823
Energy: 1.4451946168467402
Energy: 1.4293051531603138
Energy: 1.4451946168478482
Energy: 1.440975347281811
Energy: 1.451666514113714
Energy: 1.4585139660754625
Energy: 1.4516665141126057
Energy: 1.4411553667386983
Energy: 1.4524917584332446
Energy: 1.4843665639084735
Energy: 1.452491758432136
Energy: 1.4134302687884366
Energy: 1.4448303921829448
Energy: 1.4598830178612556
Energy: 1.4448303921829448
Energy: 1.4166887674211552
Energy: 1.5771946622543007
Energy: 1.6401213054586377
Energy: 1.5771946622543007
Energy: 1.404526031870962
Energy: 1.444999564342535
Energy: 1.4334930250783169
Energy: 1.4449995643414268
Energy: 1.4289876907214685
Energy: 1.448568075928973
Energy: 1.4418652549874051
Energy: 1.4485680759278643
Energy: 1.5877338150330982
Energy: 1.5433964127046362
Energy: 1.4340923235898353
Energy: 1.543396412706853
Energy: 1.4159620838793245
Energy: 1.4416111588142735
Energy: 1.8108860190605145
Energy: 1.4416111588142735
Energy: 2.0250772440051126
Energy: 1.4717568321118424
Energy: 1.429123304417199
Energy: 1.4717568321107337
Energy: 1.5978467970745092
Energy: 1.599030753885311
Energy: 1.9655534198601459
Energy: 1.599030753885311
Energy: 1.5684772492771346
Energy: 1.5436703863861054
Energy: 1.4322169651552943
Energy: 1.5436703863872137
Energy: 1.4161880052213902
Energy: 1.4416636228475717
Energy: 1.6912724969254829
Energy: 1.4416636228475717
Energy: 1.4558393813501354
Energy: 1.5471423757498604
Energy: 1.4317522023787677
Energy: 1.5471423757498604
Energy: 1.4272725303309655
Energy: 1.441664696466562
Energy: 1.76536940919553
Energy: 1.441664696466562
Energy: 1.4034622374464392
Energy: 1.4450370458203647
Energy: 1.4316202196549226
Energy: 1.4450370458192563
Energy: 1.4159401118119774
Energy: 1.5931377031800862
Energy: 1.4347835925184622
Energy: 1.5931377031800862

minimum gb energy = 1.4034622374464392 eV
minimum distance =  2.24129566822116 Angstroms
sigma value = 17


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

Energy: 1.433972479495688
Energy: 1.4343813522472193
Energy: 1.832298141626064
Energy: 1.4343813522479045
Energy: 1.6336547964389205
Energy: 1.4230839667783033
Energy: 1.4073494332373948
Energy: 1.4230839667783033
Energy: 1.404050147437928
Energy: 1.4193529030368783
Energy: 1.7573079516791497
Energy: 1.4193529030368783
Energy: 1.6100321963880773
Energy: 1.696438956029191
Energy: 1.4017052882322258
Energy: 1.6964389560305613
Energy: 1.4052150969632844
Energy: 1.4351512710027827
Energy: 1.8059205924904338
Energy: 1.435151271003468
Energy: 1.4445041163446972
Energy: 1.9105695404796772
Energy: 1.4169628074890108
Energy: 1.9105695404803622
Energy: 1.4344384280869835
Energy: 1.5046034694473962
Energy: 1.4193326629169336
Energy: 1.5046034694473962
Energy: 1.4296694559214052
Energy: 1.7154408228412252
Energy: 1.4014353644324957
Energy: 1.7154408228412252
Energy: 1.4345345110086811
Energy: 1.71511597443091
Energy: 1.481369422825548
Energy: 1.71511597443091
Energy: 1.4193831307183666
Energy: 1.7144180174980952
Energy: 1.4159674770556978
Energy: 1.71441801749741
Energy: 1.3960078527547568
Energy: 1.6919017948512045
Energy: 1.4112851274038967
Energy: 1.6919017948498345
Energy: 1.3947278941641945
Energy: 1.4997916186409925
Energy: 1.3940329607923203
Energy: 1.4997916186423628
Energy: 1.4381518594015967
Energy: 1.7067863999387036
Energy: 1.4056944485361704
Energy: 1.7067863999380186
Energy: 1.4351254873012422
Energy: 1.523846323176987
Energy: 1.432929242179684
Energy: 1.523846323176987
Energy: 1.4270676589409543
Energy: 1.6997734299297123
Energy: 1.446581239105442
Energy: 1.6997734299297123
Energy: 1.4106082895646546
Energy: 1.4207083099804294
Energy: 1.7774856607306049
Energy: 1.420708309978374
Energy: 1.4738665548879737
Energy: 1.7003435883399651
Energy: 1.4056679040528826
Energy: 1.7003435883379097
Energy: 1.3955818724930174
Energy: 1.5653147296147127
Energy: 1.7039927145961922
Energy: 1.5653147296147127
Energy: 1.6303753988885106
Energy: 1.6945663871589385
Energy: 1.4066384883985785
Energy: 1.6945663871582535
Energy: 1.410898968187793
Energy: 1.4197427357724792
Energy: 1.574280312080314
Energy: 1.4197427357724792
Energy: 1.5067836116924695
Energy: 1.4131617123891642
Energy: 1.431624394681536
Energy: 1.4131617123891642
Energy: 1.4321517584558812
Energy: 1.5668553550051298
Energy: 1.509481576966112
Energy: 1.5668553550058146
Energy: 1.6342681974400366
Energy: 1.7078527798283234
Energy: 1.4134149816123478
Energy: 1.7078527798283234
Energy: 1.407419022909102
Energy: 1.4129270307132415
Energy: 1.6322961712998914
Energy: 1.4129270307111863
Energy: 1.4994253650203515
Energy: 1.565212155483974
Energy: 1.3980674501933121
Energy: 1.5652121554846588
Energy: 1.408814116958764
Energy: 1.5257084330473203
Energy: 1.4718273536159534
Energy: 1.5257084330480053
Energy: 1.6193784946559782
Energy: 1.4892838973416553
Energy: 1.4136453389995007
Energy: 1.4892838973430258
Energy: 1.4449308913934726
Energy: 1.7005595002442022
Energy: 1.4269227675299068
Energy: 1.700559500244887
Energy: 1.4330487331695445
Energy: 1.5231678484902225
Energy: 1.4295069144756833
Energy: 1.523167848489537
Energy: 1.4089834811288255
Energy: 1.704483293183848
Energy: 1.4932619037627373
Energy: 1.704483293183848
Energy: 1.3939170203095024
Energy: 1.5228859704925657
Energy: 1.3949271625542932
Energy: 1.5228859704911955
Energy: 1.4087391705659829
Energy: 1.695102800499748
Energy: 1.40508341189134
Energy: 1.695102800500433
Energy: 1.4137592296172308
Energy: 1.4958803809214052
Energy: 1.643460785179026
Energy: 1.4958803809214052
Energy: 1.4852511722741208
Energy: 1.7198238059096291
Energy: 1.4200269276013868
Energy: 1.7198238059096291
Energy: 1.399490505048592
Energy: 1.435693991531455
Energy: 1.4701594487275162
Energy: 1.4356939915307703
Energy: 1.4190426291890055
Energy: 1.5069585163782042
Energy: 1.432446749468009
Energy: 1.506958516377519
Energy: 1.413197723105606
Energy: 1.9090939987158795
Energy: 1.4284423682066154
Energy: 1.9090939987158795
Energy: 1.80691752396001
Energy: 1.5268500505538645
Energy: 1.4109280399260227
Energy: 1.526850050551124

minimum gb energy = 1.3939170203095024 eV
minimum distance =  2.23278146235631 Angstroms
sigma value = 89


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

Energy: 1.2778433416886483
Energy: 1.2779944656344178
Energy: 2.0785500601591607
Energy: 1.2779944656344178
Energy: 1.2781428605758227
Energy: 1.3159080009848954
Energy: 1.300436896532005
Energy: 1.3159080009831028
Energy: 1.2971852209041754
Energy: 1.3762952967223434
Energy: 2.206564989339229
Energy: 1.3762952967223434
Energy: 1.32172617987528
Energy: 1.3162486497404222
Energy: 1.300872636305629
Energy: 1.3162486497404222
Energy: 1.2966510999936487
Energy: 1.4101496915227913
Energy: 2.124194813434729
Energy: 1.4101496915227913
Energy: 1.296817157605689
Energy: 1.278773959850678
Energy: 1.2774780795130627
Energy: 1.278773959850678
Energy: 1.2974167128309237
Energy: 1.5094605818631308
Energy: 1.2780527006569198
Energy: 1.5094605818631308
Energy: 1.3187076140560223
Energy: 1.5092652387117624
Energy: 1.299807421217586
Energy: 1.5092652387117624
Energy: 1.2969607772704932
Energy: 1.40984534239125
Energy: 1.2835704176249625
Energy: 1.40984534239125
Energy: 1.3153883389731844
Energy: 1.2789551171807478
Energy: 1.296658655789705
Energy: 1.2789551171807478
Energy: 1.2776320478851457
Energy: 1.3168144737250835
Energy: 1.296661422333341
Energy: 1.3168144737250835
Energy: 1.2777370463454918
Energy: 1.5104030540369036
Energy: 1.300685772337963
Energy: 1.5104030540369036
Energy: 1.2967207798121336
Energy: 1.280096453622506
Energy: 1.3156001422100203
Energy: 1.2800964536207136
Energy: 1.29692769624158
Energy: 1.4089774017223664
Energy: 1.297007339020151
Energy: 1.4089774017223664
Energy: 1.283607959490116
Energy: 1.2800637184364345
Energy: 1.2965881783546669
Energy: 1.280063718438227

minimum gb energy = 1.2774780795130627 eV
minimum distance =  2.25570584831016 Angstroms
sigma value = 13


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

Energy: 1.284711848851309
Energy: 1.2519409004173445
Energy: 1.7274050800618597
Energy: 1.2519409002543744
Energy: 1.4889877426394253
Energy: 1.6457071350647117
Energy: 1.2444483139969684
Energy: 1.6457071350617065
Energy: 1.252904122317733
Energy: 1.4363134589063968
Energy: 1.9300028503835878
Energy: 1.4363134589259314
Energy: 1.2456506794516815
Energy: 1.467819099902375
Energy: 1.242081585207138
Energy: 1.467819099902375
Energy: 1.2594975447548722
Energy: 1.5285487913354867
Energy: 1.3329307778124544
Energy: 1.5285487913317302
Energy: 1.2436307798038075
Energy: 1.2849532931513257
Energy: 1.2586918929393789
Energy: 1.284953293149823
Energy: 1.259912616493746
Energy: 1.4505138938931854
Energy: 1.6174939977015592
Energy: 1.4505138938916828
Energy: 1.2475923620723095
Energy: 1.467091050058036
Energy: 1.2588219242439327
Energy: 1.467091050058787
Energy: 1.2597926306135365
Energy: 1.3485957176715264
Energy: 1.4745507224978334
Energy: 1.3485957176677696
Energy: 1.4800766449021951
Energy: 1.5487560670253848
Energy: 1.2424337842055446
Energy: 1.54875606702839
Energy: 1.2604392722377316
Energy: 1.3709752577951917
Energy: 1.243698553862899
Energy: 1.370975257795943
Energy: 1.6120112529953736
Energy: 1.5489199100848796
Energy: 1.2508942246575363
Energy: 1.5489199100848796
Energy: 1.293939742350478
Energy: 1.2664712634971311
Energy: 1.2572409938213893
Energy: 1.266471263498634
Energy: 1.6249915256463117
Energy: 1.3710155183581811
Energy: 1.2506943361945582
Energy: 1.3710155183589323
Energy: 1.2608215735873918
Energy: 1.249498254194925
Energy: 1.2530176642649886
Energy: 1.2494982541911686
Energy: 1.2412539979142696
Energy: 1.3706153013779303
Energy: 1.2394528420494177
Energy: 1.3706153013734221
Energy: 1.2568462189562264
Energy: 1.3364886691894005
Energy: 1.239521101391184
Energy: 1.336488669188649
Energy: 1.2808901806029336
Energy: 1.345225287408093
Energy: 1.2542382037172684
Energy: 1.3452252874126007
Energy: 1.2571850119883128
Energy: 1.2678822495986772
Energy: 1.254413238324647
Energy: 1.2678822496009312
Energy: 1.2568003705314286
Energy: 1.2679388314984406
Energy: 1.2543542409104111
Energy: 1.2679388315014457
Energy: 1.2805220295610809
Energy: 1.3453665571871167
Energy: 1.254316935928408
Energy: 1.3453665571863656
Energy: 1.2567220173314992
Energy: 1.3364853806414576
Energy: 1.239379826162231
Energy: 1.3364853806414576
Energy: 1.2410759135121632
Energy: 1.3707224846333406
Energy: 1.2392955127948864
Energy: 1.3707224846303352
Energy: 1.260384419927942
Energy: 1.2493601746984628
Energy: 1.2552563297647816
Energy: 1.2493601746984628
Energy: 1.625262421626148
Energy: 1.5993277663472962
Energy: 1.2513772403880192
Energy: 1.5993277663457934
Energy: 1.294092537213507
Energy: 1.2665658641285593
Energy: 1.2561440851191834
Energy: 1.2665658641270565
Energy: 1.61207579253514
Energy: 1.5488582298080926
Energy: 1.2509684339951699
Energy: 1.5488582298080926
Energy: 1.2604800725464862
Energy: 1.3711386588696832
Energy: 1.2431801764119468
Energy: 1.3711386588681802
Energy: 1.4801045377337394
Energy: 1.5489230783910946
Energy: 1.2421077687008257
Energy: 1.5489230783933485
Energy: 1.2605957093213056
Energy: 1.3487194238358835
Energy: 1.6934495658961835
Energy: 1.348719423832127
Energy: 1.2481128502407999
Energy: 1.4660861935705647
Energy: 1.2587933627283419
Energy: 1.4660861935698137
Energy: 1.2594597463011963
Energy: 1.4507204822268445
Energy: 1.8015441327268737
Energy: 1.4507204822260928
Energy: 1.243615539844329
Energy: 1.2782406588682234
Energy: 1.2587792764143575
Energy: 1.278240658869726
Energy: 1.2599112176388063
Energy: 1.5284933096179412
Energy: 1.3196000504834164
Energy: 1.5284933096171898
Energy: 1.2458720537355612
Energy: 1.4674766734597486
Energy: 1.242373073235838
Energy: 1.4674766734589972

minimum gb energy = 1.2392955127948864 eV
minimum distance =  2.23388253951675 Angstroms
sigma value = 37


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

Energy: 1.3588419889211205
Energy: 1.3586361746979396
Energy: 1.1873302427693546
Energy: 1.3586361746979396
Energy: 1.4485566779174952
Energy: 1.5930222253038822
Energy: 1.1597343131948332
Energy: 1.5930222253038822
Energy: 1.1804871308950182
Energy: 1.6296942461943007
Energy: 1.569721259079882
Energy: 1.6296942461943007
Energy: 1.3014549377754105
Energy: 1.3447432731423237
Energy: 1.16040521826703
Energy: 1.3447432731436164
Energy: 1.159238910625755
Energy: 1.184841279019473
Energy: 1.3011991367927813
Energy: 1.184841279019473
Energy: 1.197475122532768
Energy: 1.7531237471005396
Energy: 1.3044682173890454
Energy: 1.7531237471005396
Energy: 1.1751877168769667
Energy: 1.933756239683527
Energy: 1.6350901612396316
Energy: 1.933756239683527
Energy: 1.1428392010552804
Energy: 1.1858193089156153
Energy: 1.190052328576996
Energy: 1.1858193089156153
Energy: 1.1605840465045356
Energy: 1.5925954841157246
Energy: 1.4667037801908396
Energy: 1.5925954841157246
Energy: 1.569104802006473
Energy: 1.6306386467114586
Energy: 1.3033654730415047
Energy: 1.6306386467114586
Energy: 1.1584259626726274
Energy: 1.8351109502354095
Energy: 1.3011172847579116
Energy: 1.8351109502354095
Energy: 1.5446169368524802
Energy: 1.1853022843523517
Energy: 1.1603393382596228
Energy: 1.1853022843536445
Energy: 1.3007180298064116
Energy: 1.5924746137580839
Energy: 1.3651855378909281
Energy: 1.5924746137580839
Energy: 1.637238809070526
Energy: 1.9351390263441477
Energy: 1.142622586575089
Energy: 1.935139026342855
Energy: 1.3577228410963584
Energy: 1.392890752572861
Energy: 1.1427505195966032
Energy: 1.3928907525715684
Energy: 1.358091368084815
Energy: 1.59317303071332
Energy: 1.1596640276794894
Energy: 1.5931730307146124
Energy: 1.3006124816980538
Energy: 1.3299681942256598
Energy: 1.1606406924894714
Energy: 1.3299681942256598
Energy: 1.3008726511219955
Energy: 1.8354659411800973
Energy: 1.158371906122431
Energy: 1.8354659411800973
Energy: 1.15844250850901
Energy: 1.1866338028674244
Energy: 1.158529805703895
Energy: 1.1866338028674244
Energy: 1.1587186188166076
Energy: 1.5928485268658927
Energy: 1.3007652968496823
Energy: 1.5928485268646

minimum gb energy = 1.142622586575089 eV
minimum distance =  2.23148447551642 Angstroms
sigma value = 25


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

Energy: 1.2346408001604072
Energy: 1.7571161708086898
Energy: 1.0523235006319756
Energy: 1.7571161708086898
Energy: 1.4833588774436024
Energy: 1.298431010452861
Energy: 1.0474779198289519
Energy: 1.2984310104518515
Energy: 1.1704297813708326
Energy: 1.1709200212069504
Energy: 1.3572426536131816
Energy: 1.1709200212069504
Energy: 1.2515091896959285
Energy: 1.440275133161986
Energy: 1.0556184420172354
Energy: 1.4402751331599672
Energy: 1.0640276657295407
Energy: 1.2989590495879126
Energy: 1.1372358517011398
Energy: 1.2989590495879126
Energy: 1.1447303524194745
Energy: 1.2941463769758292
Energy: 1.0660830867516284
Energy: 1.2941463769758292
Energy: 1.0504205627019474
Energy: 1.0439715229737432
Energy: 1.2526389151585693
Energy: 1.0439715229737432
Energy: 1.036594963422391
Energy: 1.447380185928147
Energy: 1.1727115050703596
Energy: 1.4473801859291564
Energy: 1.0503703712985506
Energy: 1.2992298413228927
Energy: 1.6286663300292505
Energy: 1.2992298413228927
Energy: 1.0242051940780612
Energy: 1.2805640653508565
Energy: 1.105403071228253
Energy: 1.2805640653528756
Energy: 1.0503162892249613
Energy: 1.043471125860826
Energy: 1.532804499365248
Energy: 1.043471125860826
Energy: 1.35854713192854
Energy: 1.5999024623781766
Energy: 1.1729334128450775
Energy: 1.5999024623781766
Energy: 1.057912110671876
Energy: 1.2098050937672495
Energy: 1.406845938589453
Energy: 1.2098050937662397
Energy: 1.3476753401467314
Energy: 1.3914896969080506
Energy: 1.0660231435358827
Energy: 1.391489696905022
Energy: 1.0647095070065713
Energy: 1.0413033916185175
Energy: 1.143987164815833
Energy: 1.0413033916033767
Energy: 1.442482155587081
Energy: 1.707368924436228
Energy: 1.0488660139247736
Energy: 1.7073689244372376
Energy: 1.1753621489531876
Energy: 1.449662227068088
Energy: 1.0253886159674506
Energy: 1.449662227068088
Energy: 1.427800053761979
Energy: 1.1887017396148625
Energy: 1.0476830136499642
Energy: 1.188701739603805
Energy: 1.2370811087632496
Energy: 1.0617833627232025
Energy: 1.0240906115611335
Energy: 1.0617833627242117
Energy: 1.6749998920439166
Energy: 1.7064806244324822
Energy: 1.04896331977391
Energy: 1.706480624433492
Energy: 1.1755585830046391
Energy: 1.706070683095278
Energy: 1.037564804303308
Energy: 1.7060706830932595
Energy: 1.1702540422666075
Energy: 1.440913893123227
Energy: 1.05916433302313
Energy: 1.440913893123227
Energy: 1.0645457365773687
Energy: 1.4255652656328062
Energy: 1.348473820902162
Energy: 1.4255652656338156
Energy: 1.1436288475988463
Energy: 1.769896198385937
Energy: 1.06487017899095
Energy: 1.769896198385937
Energy: 1.0478604839324683
Energy: 1.7069549437520442
Energy: 1.4424570795745955
Energy: 1.7069549437530536
Energy: 1.0310536265219408
Energy: 1.3305633683958145
Energy: 1.1701737979714415
Energy: 1.3305633683958145

minimum gb energy = 1.0240906115611335 eV
minimum distance =  2.23896752437124 Angstroms
sigma value = 41


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

Energy: 1.3497226536375544
Energy: 1.3510818547670784
Energy: 0.9556768674028846
Energy: 1.351081854767906
Energy: 1.4172115736762987
Energy: 1.1458521812476128
Energy: 0.9446344673955689
Energy: 1.1458521812500955
Energy: 0.9723720487151771
Energy: 0.9422057193821531
Energy: 1.7185127651157988
Energy: 0.9422057193821531
Energy: 1.2140576240335015
Energy: 1.3395598498920152
Energy: 0.9443288043191735
Energy: 1.3395598498928427
Energy: 0.9379974554852218
Energy: 1.3698708176648362
Energy: 1.017571546375597
Energy: 1.3698708176648362
Energy: 1.0102739746617988
Energy: 1.1443871358303765
Energy: 0.9444689107127712
Energy: 1.1443871358303765
Energy: 0.9430763252433649
Energy: 1.1451960028084829
Energy: 1.0108579252739402
Energy: 1.1451960028084829
Energy: 0.9268547833057206
Energy: 1.1634832839843392
Energy: 0.9393850349486808
Energy: 1.163483283985167
Energy: 0.9480080186602093
Energy: 1.5294677382704602
Energy: 1.3159144912497267
Energy: 1.5294677382704602
Energy: 0.9293754726250809
Energy: 1.135130462644631
Energy: 0.9737052082577485
Energy: 1.1351304626438035
Energy: 0.9432898588458551
Energy: 1.1476506161549787
Energy: 1.541044073769657
Energy: 1.1476506161582887
Energy: 0.9309177988036094
Energy: 1.3514793101146136
Energy: 1.351098763525086
Energy: 1.3514793101146136
Energy: 0.9480732288927238
Energy: 1.5238517587965072
Energy: 1.6624135313450226
Energy: 1.5238517587948524
Energy: 1.2035708478161782
Energy: 1.3557236659267822
Energy: 0.9735503420687596
Energy: 1.3557236659267822
Energy: 0.9433394295871139
Energy: 1.1478030183314771
Energy: 1.3450037421702654
Energy: 1.1478030183323047
Energy: 1.194536148990431
Energy: 1.3896435900008586
Energy: 0.9394597116784003
Energy: 1.3896435899983761
Energy: 0.9478667845585873
Energy: 1.5236336314974348
Energy: 1.248088410967941
Energy: 1.5236336314982621
Energy: 1.1888473669555313
Energy: 1.3562608229757578
Energy: 0.9444983847677703
Energy: 1.3562608229757578
Energy: 0.9434984905707131
Energy: 1.1624503103654473
Energy: 0.9261513070704437
Energy: 1.1624503103654473
Energy: 1.1793242409924445
Energy: 1.3573765633033565
Energy: 0.9480383223275182
Energy: 1.3573765633041839
Energy: 0.9776213426422311
Energy: 1.523632554047497
Energy: 0.9305921577489625
Energy: 1.523632554047497
Energy: 1.5410374835199052
Energy: 1.6858898124809836
Energy: 0.9446520584435297
Energy: 1.6858898124809836
Energy: 1.3550496879870881
Energy: 1.3530224905542307
Energy: 0.9308836686009024
Energy: 1.3530224905542307
Energy: 1.350071142297188
Energy: 1.5236692562123653
Energy: 0.9482011246832435
Energy: 1.5236692562115377
Energy: 0.9773948190524983
Energy: 1.3362997635393463
Energy: 0.9352602485743321
Energy: 1.3362997635393463
Energy: 1.3324538957083611
Energy: 1.6784760317991425
Energy: 0.9444652582112248
Energy: 1.6784760317991425
Energy: 0.9432489670735977
Energy: 1.52751720907741
Energy: 1.1945384149228793
Energy: 1.5275172090782376
Energy: 0.9384266763718115
Energy: 1.5245742383345846
Energy: 0.9481190813378131
Energy: 1.524574238333757
Energy: 0.9483575995163324
Energy: 1.3360761133524162
Energy: 1.1888270332392568
Energy: 1.3360761133524162
Energy: 0.925953332651396
Energy: 1.5679925990782275
Energy: 0.9494085253967081
Energy: 1.5679925990782275
Energy: 0.9432505416495901
Energy: 1.356290067708225
Energy: 1.1791908243770846
Energy: 1.356290067708225
Energy: 0.930819329021823
Energy: 1.5247394141481345
Energy: 0.9826771421128325
Energy: 1.5247394141489619

minimum gb energy = 0.925953332651396 eV
minimum distance =  2.23115385778318 Angstroms
sigma value = 15


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

Energy: 1.2267734375274495
Energy: 1.5083400541173053
Energy: 1.6982735088371872
Energy: 1.5083400541173053
Energy: 1.5606419941710574
Energy: 1.3634412332480852
Energy: 0.8840153569973648
Energy: 1.3634412332466828
Energy: 0.9136737190886016
Energy: 1.2047125200986477
Energy: 1.6175460189225639
Energy: 1.2047125200993487
Energy: 1.374875360998209
Energy: 1.368854080257078
Energy: 0.8838903458100748
Energy: 1.368854080257078
Energy: 0.8800577420243175
Energy: 1.5154240712604612
Energy: 0.8613803330559388
Energy: 1.5154240712618634
Energy: 1.0932474471727636
Energy: 1.3648784223220938
Energy: 0.8841128877092976
Energy: 1.3648784223220938
Energy: 0.883053800909554
Energy: 1.2162681639291772
Energy: 0.9225832454139966
Energy: 1.216268163928476
Energy: 0.922860594553179
Energy: 1.2174724624891389
Energy: 0.8839766018551876
Energy: 1.2174724624828297
Energy: 0.886306311752164
Energy: 1.5173955089175677
Energy: 1.0930243868090175
Energy: 1.517395508916867
Energy: 0.8533345742509809
Energy: 1.366172362283492
Energy: 0.880804665030746
Energy: 1.366172362282791
Energy: 0.8831358003370575
Energy: 1.363662185116912
Energy: 1.527557663347765
Energy: 1.3636621851176132
Energy: 0.8563146475095645
Energy: 1.206492229948316
Energy: 0.9143102976696216
Energy: 1.206492229920275
Energy: 0.886536418994049
Energy: 1.5195630085221916
Energy: 1.5332094556954445
Energy: 1.5195630085221916
Energy: 0.8566218536825942
Energy: 1.5089279422154809
Energy: 1.2277048908163022
Energy: 1.5089279422140789
Energy: 0.8831568089322043
Energy: 1.363376515387336
Energy: 1.5553833639177879
Energy: 1.3633765153894393
Energy: 1.0856367370863562
Energy: 1.2059257552983644
Energy: 0.914452458510773
Energy: 1.2059257552962614
Energy: 0.8863537065923344
Energy: 1.5194342938043663
Energy: 1.4762408699184935
Energy: 1.5194342938043663
Energy: 1.0819159191692156
Energy: 1.514271434005443
Energy: 0.8807575489739642
Energy: 1.514271434005443
Energy: 0.8833633625374223
Energy: 1.3650722973808425
Energy: 1.2038081070592321
Energy: 1.3650722973808425
Energy: 1.077500336999919
Energy: 1.049705511205051
Energy: 0.8841551057876895
Energy: 1.0497055112036489
Energy: 0.8865713958902686
Energy: 1.3924448406635537
Energy: 1.1225527328111369
Energy: 1.3924448406642544
Energy: 1.0795212941524919
Energy: 1.3778712544258018
Energy: 0.8905000714906568
Energy: 1.3778712544251006
Energy: 0.8832786735510667
Energy: 1.3638267637332124
Energy: 0.8533882906394398
Energy: 1.3638267637346146
Energy: 1.410222829736239
Energy: 1.0442436998650053
Energy: 0.8839283457052854
Energy: 1.0442436998636035
Energy: 0.9168668991008732
Energy: 1.3924351312049013
Energy: 0.8575251820867248
Energy: 1.3924351312077052
Energy: 1.394476633671257
Energy: 1.5226628385818486
Energy: 0.8902769148727526
Energy: 1.5226628385825498
Energy: 1.2300681342624866
Energy: 1.5061177613101917
Energy: 0.8572527447780752
Energy: 1.5061177613101917
Energy: 1.5509529023685746
Energy: 1.3634913309124257
Energy: 0.8841023365869344
Energy: 1.3634913309124257
Energy: 0.9166950381442832
Energy: 1.5471755571558015
Energy: 0.8631627209621657
Energy: 1.5471755571565025
Energy: 1.2036922930638692
Energy: 1.5230028518317495
Energy: 0.8902743474335452
Energy: 1.5230028518303473
Energy: 0.8832025321329551
Energy: 1.5087156490782234
Energy: 1.081918868737197
Energy: 1.5087156490775224
Energy: 1.1930495071341876
Energy: 1.3671280362775475
Energy: 0.8840652234886415
Energy: 1.3671280362775475
Energy: 0.8863449356443028
Energy: 1.5395892348802322
Energy: 1.0769532596200042
Energy: 1.5395892348809335
Energy: 0.8603264620234217
Energy: 1.3928782760630762
Energy: 0.8901569144253967
Energy: 1.3928782760637775
Energy: 0.8769545086191025
Energy: 1.5081068446728916
Energy: 1.079254181303139
Energy: 1.5081068446728916
Energy: 0.8531802963386931
Energy: 1.0453434436581075
Energy: 0.8872143017051777
Energy: 1.0453434436553035
Energy: 0.886668804017201
Energy: 1.5392835231333584
Energy: 1.410000491310127
Energy: 1.5392835231340596

minimum gb energy = 0.8531802963386931 eV
minimum distance =  2.26776379666742 Angstroms
sigma value = 85


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

Energy: 1.1564399399480794
Energy: 1.4114191775176224
Energy: 1.0684633725516133
Energy: 1.4114191775176224
Energy: 1.6639910559858282
Energy: 1.2689841760763718
Energy: 0.811225881691558
Energy: 1.2689841760763718
Energy: 1.1091758635298088
Energy: 1.1101512966709546
Energy: 1.0686007378535354
Energy: 1.1101512966709546
Energy: 1.3835345498455107
Energy: 0.9800142747433483
Energy: 0.810871168124767
Energy: 0.9800142747445644
Energy: 0.8502369587493558
Energy: 1.0778218068824852
Energy: 0.7752144898489349
Energy: 1.0778218068830931
Energy: 1.2299250981489325
Energy: 0.9845790189310553
Energy: 0.8108382706192367
Energy: 0.9845790189304472
Energy: 0.8069510981274733
Energy: 1.131559446976358
Energy: 0.8910721667018406
Energy: 1.1315594469769659
Energy: 1.0725682451294258
Energy: 1.268788142375316
Energy: 0.81093881525442
Energy: 1.268788142375316
Energy: 0.8101069261069549
Energy: 1.092196149315994
Energy: 1.037879073922515
Energy: 1.092196149315994
Energy: 0.9282090628485952
Energy: 1.1319588714916398
Energy: 0.8078554476837698
Energy: 1.1319588714922475
Energy: 0.8105846538326158
Energy: 1.2746106567178688
Energy: 1.1844882771179077
Energy: 1.2746106567178688
Energy: 0.7715626633843872
Energy: 0.9801010234726076
Energy: 0.8510001846593233
Energy: 0.9801010234768638
Energy: 0.8104941191124935
Energy: 1.092356623521338
Energy: 1.3980468948478637
Energy: 1.092356623521338
Energy: 0.7743141811503299
Energy: 1.1100693175777006
Energy: 1.1100963019808339
Energy: 1.1100693175770926
Energy: 0.8106159618170115
Energy: 1.2686591528712121
Energy: 1.5203919386659204
Energy: 1.2686591528706042
Energy: 0.7737397494499735
Energy: 1.4118420691327853
Energy: 1.157054152915706
Energy: 1.4118420691327853
Energy: 0.8102565035543912
Energy: 1.0927258442431762
Energy: 1.5212814286964371
Energy: 1.0927258442431762
Energy: 0.9776807541837734
Energy: 1.1100629235439452
Energy: 1.110238662652371
Energy: 1.1100629235445532
Energy: 0.8106263597865182
Energy: 1.268719917595886
Energy: 1.3829047242896784
Energy: 1.268719917595886
Energy: 0.9681150981957347
Energy: 1.4364722445409415
Energy: 0.8510198173277149
Energy: 1.4364722445409415
Energy: 0.8104242306131125
Energy: 1.0939463559368237
Energy: 1.2297753828389384
Energy: 1.0939463559368237
Energy: 0.9661746488180935
Energy: 1.1360331854171033
Energy: 0.8080682410238264
Energy: 1.1360331854171033
Energy: 0.8115963071606246
Energy: 1.268586414072274
Energy: 1.0729428224329265
Energy: 1.2685864140728822
Energy: 0.972177824779911
Energy: 1.1313736904528682
Energy: 0.8109259366096604
Energy: 1.1313736903240268
Energy: 0.8103593595945089
Energy: 0.9799554956850162
Energy: 0.9259011486403911
Energy: 0.9799554956850162
Energy: 1.2624044228572948
Energy: 1.1101863971647594
Energy: 0.8118866177732631
Energy: 1.1101863971647594
Energy: 0.8534723306053723
Energy: 0.9802364795289267
Energy: 0.7711960649045124
Energy: 0.980236479530115
Energy: 1.2574663066390181
Energy: 1.432573189258635
Energy: 0.8104623138377628
Energy: 1.432573189258635
Energy: 1.1127190153252897
Energy: 1.1105035074416025
Energy: 0.7743734332990382
Energy: 1.1105035074409944
Energy: 1.5212861311104136
Energy: 1.268371322266543
Energy: 0.8119182996616461
Energy: 1.268371322266543
Energy: 1.1590383807271305
Energy: 1.4129306562366204
Energy: 0.7739087965600496
Energy: 1.4129306562372284
Energy: 1.4061038918159643
Energy: 1.432495314673162
Energy: 0.811108599337153
Energy: 1.4324953146725536
Energy: 1.1127383224397833
Energy: 1.1104350369171136
Energy: 0.7843059732672483
Energy: 1.1104350369171136
Energy: 1.3837151843853386
Energy: 1.2684482747471901
Energy: 0.8100704285674053
Energy: 1.2684482747471901
Energy: 0.8536235709869147
Energy: 1.4371733269203821
Energy: 0.9684968240861863
Energy: 1.4371733269209903
Energy: 1.0781291743129295
Energy: 1.4256993510234752
Energy: 0.8111244626538376
Energy: 1.4256993510234752
Energy: 0.8105458507211264
Energy: 1.1098759980420052
Energy: 0.9658260896646973
Energy: 1.1098759980426134
Energy: 1.0642176271278052
Energy: 1.1099981811734922
Energy: 0.8118241771235435
Energy: 1.109998181163764
Energy: 0.8105540448101957
Energy: 1.3992792998151993
Energy: 0.9723085313192348
Energy: 1.3992792998151993
Energy: 0.7802994718131399
Energy: 1.3193316812817089
Energy: 0.8069325692635091
Energy: 1.3193316812817089
Energy: 0.8099996426742949
Energy: 1.1101787715924496
Energy: 1.2624430369398636
Energy: 1.1101787715924496
Energy: 0.7709130719570423
Energy: 0.9800053417776032
Energy: 0.8500547490041733
Energy: 0.9800053417757794
Energy: 0.8106558072740292
Energy: 1.3995529062451912
Energy: 1.2568605586310537
Energy: 1.3995529062445833

minimum gb energy = 0.7709130719570423 eV
minimum distance =  2.25307514780896 Angstroms
sigma value = 113


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

Energy: 0.0205244718394161
Energy: 0.021438332451345406
Energy: 1.2235873525331356
Energy: 0.02143833245274761
Energy: 1.222914142222099
Energy: 0.4553881431147589
Energy: 0.45468903718792425
Energy: 0.4553881431147589
Energy: 0.0205244718394161
Energy: 0.021438332451812807
Energy: 1.2239769023884133
Energy: 0.02143833245274761
Energy: 1.2229141422216834
Energy: 0.4553881431147589
Energy: 0.4546890375218568
Energy: 0.4553881431147589
Energy: 0.0205244718394161
Energy: 0.021438332451812807
Energy: 1.2236309647915464
Energy: 0.02143833245274761
Energy: 1.222914142221216
Energy: 0.4553881431152263
Energy: 0.45468903736517335
Energy: 0.4553881431147589

minimum gb energy = 0.0205244718394161 eV
minimum distance =  2.48492829418171 Angstroms
sigma value = 1