Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890356361865998
cohesive_energy=3.9103032749768927
mass=106.42
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=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43053399731068e-19, 2.8851035519091596e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.09479352198928e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.258294193600079e-19, 6.264510638939999e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.93023250602224e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8666916346066994e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18, -3.64459936349052e-18, -5.125090682138219e-18, -7.3104916544469e-18, -1.0682993360185199e-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: 0.013022513914044631
Energy: 0.013762669221994138
Energy: 0.663373100974263
Energy: 0.09737404597987868
Energy: 0.013762669221994138
Energy: 0.6791420832061354
Energy: 0.09737404597777256
Energy: 0.67914208320084
Energy: 0.6633731009748045
Energy: 0.09737404597777256
Energy: 0.013022513914044631
Energy: 0.013762669221452566
Energy: 0.09737404597777256
Energy: 0.6791420832045408
Energy: 0.013762669221452566
Energy: 0.679142083199787

minimum gb energy = 0.013022513914044631 eV
minimum distance =  2.68176644849918 Angstroms
sigma value = 1


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

Energy: 1.270766190223967
Energy: 0.8274224273407597
Energy: 0.8954655533615432
Energy: 0.8937494028796135
Energy: 0.8533073558698107
Energy: 0.9011372506900425
Energy: 0.8388314243888043
Energy: 0.9011372506900425
Energy: 0.8950942904821784
Energy: 0.8948062503334265
Energy: 0.8384478504438551
Energy: 0.8948062503327697
Energy: 0.8417865273986509
Energy: 0.8409569178150754
Energy: 0.8384658152439475
Energy: 0.8409569178144186
Energy: 0.8777106974992567
Energy: 0.8395349375128041
Energy: 0.8423052231996189
Energy: 0.8395349375128041
Energy: 0.8777772912170034
Energy: 0.9242582626810125
Energy: 0.839826397192466
Energy: 0.9242582626790421
Energy: 0.8791867302135542
Energy: 0.8861233017460054
Energy: 0.8771491952713213
Energy: 0.8861233017433782
Energy: 0.8817978706062787
Energy: 0.9120579450820324
Energy: 0.9034393031738958
Energy: 0.9120579450826892
Energy: 0.8920732504676023
Energy: 0.901996904975746
Energy: 0.8928190350134984
Energy: 0.9019969049744324
Energy: 0.910688801310463
Energy: 0.9082016517499383
Energy: 0.8936786760185054
Energy: 0.9082016517492815
Energy: 0.890744237572766
Energy: 0.9015801555899781
Energy: 0.8927856816989247
Energy: 0.9015801555893213
Energy: 0.8791542380967643
Energy: 0.8998263734158267
Energy: 0.9135189596236424
Energy: 0.8998263734171403
Energy: 0.8988879055888579
Energy: 0.8855579120188238
Energy: 0.8544920913257081
Energy: 0.885557912018167
Energy: 0.87722130198159
Energy: 0.8872017586809604
Energy: 0.8832808203333467
Energy: 0.8872017586809604
Energy: 0.8558188965347213
Energy: 0.839456127053881
Energy: 0.8398848987011913
Energy: 0.8394561270525673
Energy: 0.8584420112558554
Energy: 0.8396872617493578
Energy: 0.8385618639689405
Energy: 0.8396872617493578
Energy: 0.8946587880031359
Energy: 0.8938393773736966
Energy: 0.8232381279544114
Energy: 0.8938393773756671
Energy: 0.8387384722212953
Energy: 0.8399077157774218
Energy: 0.8540044562923781
Energy: 0.839907715776765
Energy: 0.8400305036682298
Energy: 0.8948737422374227
Energy: 0.8941459663667807
Energy: 0.8948737422374227
Energy: 0.8768604062358032
Energy: 0.839706064299382
Energy: 0.841733059767505
Energy: 0.8397060643006956
Energy: 0.8418148278970815
Energy: 0.8415872327595687
Energy: 0.8769830278484507
Energy: 0.8415872327621959
Energy: 0.8404525898329972
Energy: 0.8406663685318808
Energy: 0.8775054129001153
Energy: 0.8406663685345082
Energy: 0.8766872574817784
Energy: 0.8862448026468708
Energy: 0.8774080957314495
Energy: 0.8862448026481844
Energy: 0.9035405279130078
Energy: 0.8873453189490094
Energy: 0.8791168773838188
Energy: 0.8873453189496661
Energy: 0.8932385684336837
Energy: 0.9020870827589358
Energy: 0.8921674972737972
Energy: 0.9020870827602494
Energy: 0.8956353351946251
Energy: 0.8994049820786102
Energy: 0.9125707882022333
Energy: 0.899404982079267
Energy: 0.8926872395381457
Energy: 0.9012709976859278
Energy: 0.8907087638946624
Energy: 0.9012709976892117
Energy: 0.9149764142086693
Energy: 0.8998632208402958
Energy: 0.8788230389211102
Energy: 0.8998632208402958
Energy: 0.8545591520123377
Energy: 0.8855393685992816
Energy: 0.8996194957651487
Energy: 0.8855393685999384
Energy: 0.8835406878087996
Energy: 0.8867054963127448
Energy: 0.8775409756905239
Energy: 0.8867054963101175
Energy: 0.8392388640790467
Energy: 0.8394323915395192
Energy: 0.8555250416485773
Energy: 0.8394323915395192
Energy: 0.8393661730700741
Energy: 0.8397185893412124
Energy: 0.8587178046812906
Energy: 0.839718589342526
Energy: 0.8228315387140891
Energy: 0.8412396983376965
Energy: 0.8947623540676886
Energy: 0.8412396983383533

minimum gb energy = 0.8228315387140891 eV
minimum distance =  2.43029246946276 Angstroms
sigma value = 1


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

Energy: 1.4514281339211896
Energy: 0.8612283662876478
Energy: 0.9378873115722312
Energy: 0.938696389530537
Energy: 0.8998801572201315
Energy: 0.9417707825850479
Energy: 0.879255385512448
Energy: 0.9417707825857967
Energy: 0.9371452571621757
Energy: 0.9401409140842144
Energy: 0.8786508342876121
Energy: 0.9401409140729812
Energy: 0.8823785849342946
Energy: 0.8795081888193836
Energy: 0.8791761074016415
Energy: 0.8795081888186349
Energy: 0.8805105299964462
Energy: 0.8790738176062262
Energy: 0.8799575458589988
Energy: 0.8790738176114684
Energy: 0.925498872889725
Energy: 0.9918248377772096
Energy: 0.8791806772125346
Energy: 0.991824837775712
Energy: 0.9273617454022065
Energy: 0.9372378885743887
Energy: 0.9247130006688742
Energy: 0.9372378885743887
Energy: 0.9272479352464879
Energy: 0.940271406931161
Energy: 0.9637055451320554
Energy: 0.9402714069334076
Energy: 0.9258178470039311
Energy: 0.9525317693508403
Energy: 0.9360554342869861
Energy: 0.9525317693478447
Energy: 0.9622292700037384
Energy: 0.954408351328883
Energy: 0.9302632547024972
Energy: 0.9544083513333762
Energy: 0.9007237051129006
Energy: 0.936413753198089
Energy: 0.9286975755895522
Energy: 0.9364137531928468
Energy: 0.901182662641071
Energy: 0.9382446495119353
Energy: 0.926079629630324
Energy: 0.9382446495179263
Energy: 0.8804533482575118
Energy: 0.8789633143854613
Energy: 0.9005470750605468
Energy: 0.8789633143847124
Energy: 0.8786296956559922
Energy: 0.878923371016076
Energy: 0.857694211584917
Energy: 0.8789233710183226
Energy: 0.8568591294310549
Energy: 0.9389013070502015
Energy: 0.9400001969373044
Energy: 0.9389013070502015
Energy: 0.9008394437209974
Energy: 0.8792058817316043
Energy: 0.878933054441073
Energy: 0.8792058817226518
Energy: 0.9394993709633748
Energy: 0.9387285328476757
Energy: 0.8783810674790848
Energy: 0.9387285328409356
Energy: 0.881923842804451
Energy: 0.8792078069592509
Energy: 0.924541959321833
Energy: 0.8792078069637442
Energy: 0.8791548234713724
Energy: 0.8829884577805832
Energy: 0.883075024996205
Energy: 0.8829884577805832
Energy: 0.9254327134970396
Energy: 0.8795020829168884
Energy: 0.8790574420517524
Energy: 0.8795020829198839
Energy: 0.9261104209543629
Energy: 0.9384253789900857
Energy: 0.9250659605485521
Energy: 0.9384253789938299
Energy: 0.9253951574047853
Energy: 0.9386479000894437
Energy: 0.9630879154686985
Energy: 0.9386479000886949
Energy: 0.9256696591111763
Energy: 0.9528069668696406
Energy: 0.9358689916982653
Energy: 0.9528069668703895
Energy: 0.9617296928173324
Energy: 0.9530419845905715
Energy: 0.926807784928874
Energy: 0.9530419846010557
Energy: 0.9003656022087851
Energy: 0.936086841713461
Energy: 0.960227672443189
Energy: 0.9360868417194519
Energy: 0.9006946336466355
Energy: 0.9377919270131523
Energy: 0.9258478870162302
Energy: 0.9377919270109056
Energy: 0.8796306481543514
Energy: 0.8788378481904876
Energy: 0.9006590733676864
Energy: 0.8788378481897386
Energy: 0.8787694661607666
Energy: 0.8791152982738587
Energy: 0.8573446452176053
Energy: 0.8791152982716121
Energy: 0.8569411316998748
Energy: 0.8818796068154188
Energy: 0.9405137978948197
Energy: 0.8818796068169165

minimum gb energy = 0.8568591294310549 eV
minimum distance =  2.436507456133 Angstroms
sigma value = 25


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

Energy: 1.3848183923492936
Energy: 0.8974386808885562
Energy: 0.9874961643959563
Energy: 0.9861335885719462
Energy: 0.9559896434041966
Energy: 0.9836850941639071
Energy: 0.9243013260242283
Energy: 0.9836850941647777
Energy: 0.9859217453018677
Energy: 0.9869907571098916
Energy: 0.923665118899652
Energy: 0.9869907571098916
Energy: 0.9284363738472217
Energy: 0.9245317096557114
Energy: 0.925189947068176
Energy: 0.9245317096565819
Energy: 0.9236493020583334
Energy: 0.9244446316833358
Energy: 0.9252662043030353
Energy: 0.9244446316833358
Energy: 0.9760952001079889
Energy: 1.0313205411167516
Energy: 0.9244713990088308
Energy: 1.0313205411167516
Energy: 0.9732485211163626
Energy: 1.0013374104934387
Energy: 0.9709792131614338
Energy: 1.0013374104934387
Energy: 0.9722141055060565
Energy: 1.0032790347564673
Energy: 1.020162664078505
Energy: 1.0032790347555967
Energy: 0.9731333086950991
Energy: 1.0004475222636848
Energy: 0.956807801366217
Energy: 1.0004475222619438
Energy: 0.9728401534827226
Energy: 1.0016387717163608
Energy: 0.9248334998822068
Energy: 1.0016387717146196
Energy: 0.8912648577959899
Energy: 0.9239432164251751
Energy: 0.9231931080593786
Energy: 0.9239432164243045
Energy: 0.8912499352166137
Energy: 0.9239488665100809
Energy: 0.9244068590348071
Energy: 0.9239488665092103
Energy: 0.9871223855984514
Energy: 0.9872468369745215
Energy: 0.8903840552111614
Energy: 0.9872468369745215
Energy: 0.9246240576048226
Energy: 0.9243534836267056
Energy: 0.956012245464109
Energy: 0.9243534836275762
Energy: 0.9228550271804391
Energy: 0.9880053830670967
Energy: 0.9891112402748036
Energy: 0.9880053830670967
Energy: 0.9279398986698577
Energy: 0.9243301423084297
Energy: 0.9277793397060466
Energy: 0.9243301423084297
Energy: 0.923859876080071
Energy: 0.9274962535807975
Energy: 0.923299889086256
Energy: 0.9274962535799268
Energy: 0.9243099868456922
Energy: 0.92411490569973
Energy: 0.9750747765328983
Energy: 0.924114905701471
Energy: 0.9708958238373534
Energy: 1.003611099448082
Energy: 0.9755692762415464
Energy: 1.003611099448082
Energy: 0.962878303041943
Energy: 1.0029559714036578
Energy: 0.9736450552855604
Energy: 1.0029559714045284
Energy: 0.9560388551347997
Energy: 1.00047261179329
Energy: 0.9731226281063851
Energy: 1.0004726117924196
Energy: 0.9565418260759387
Energy: 1.001174394503719
Energy: 0.9727699225895794
Energy: 1.0011743945028484
Energy: 0.9225882910886912
Energy: 0.9241145673673543
Energy: 0.8913985429363606
Energy: 0.9241145673673543
Energy: 0.9240601741435964
Energy: 0.9243965196630811
Energy: 0.8911103761770619
Energy: 0.9243965196630811
Energy: 0.8905476547162509
Energy: 0.9272681851011061
Energy: 0.9885685913941599
Energy: 0.9272681851002355

minimum gb energy = 0.8903840552111614 eV
minimum distance =  2.4324235053467 Angstroms
sigma value = 9


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

Energy: 1.2853578691482157
Energy: 0.9306773272033247
Energy: 1.0387797493273971
Energy: 1.03756024925739
Energy: 1.0212002875166175
Energy: 1.0224455201817755
Energy: 0.9766679780493486
Energy: 1.0224455201807372
Energy: 1.0379985641096185
Energy: 1.0384054914549352
Energy: 1.053844655781758
Energy: 1.0384054914549352
Energy: 0.9747992274609463
Energy: 1.0224217542147667
Energy: 0.9765708726794393
Energy: 1.0224217542137282
Energy: 0.9744902326876903
Energy: 0.9768731019144432
Energy: 0.9762153238739482
Energy: 0.9768731019123663
Energy: 0.9757546186273696
Energy: 0.9777499332807723
Energy: 0.9780919105431488
Energy: 0.9777499332766183
Energy: 1.023630173868942
Energy: 1.0821215128019201
Energy: 0.9783196326086878
Energy: 1.0821215128039972
Energy: 0.9774871540921665
Energy: 1.0811154460737522
Energy: 0.9770396418616806
Energy: 1.0811154460747907
Energy: 0.9748748328791466
Energy: 0.9769310090425687
Energy: 0.9212699867422416
Energy: 0.9769310090384146
Energy: 0.9766901467600106
Energy: 0.9775929767562949
Energy: 0.9204403732371746
Energy: 0.9775929767562949
Energy: 0.9201872033230305
Energy: 1.0393548597069775
Energy: 1.0384657082387851
Energy: 1.0393548597059392
Energy: 1.0221301600156896
Energy: 0.9774773316140265
Energy: 0.9764670861847667
Energy: 0.9774773316161035
Energy: 1.0373870678210542
Energy: 1.0377591546426592
Energy: 1.053622678257243
Energy: 1.0377591546436977
Energy: 0.9732972843889681
Energy: 0.9764512652039418
Energy: 0.9719408336416289
Energy: 0.9764512652060188
Energy: 0.9746555172657426
Energy: 0.9763229459524884
Energy: 0.9797246150628912
Energy: 0.9763229459535269
Energy: 0.9762154144007399
Energy: 0.9774867807491743
Energy: 0.9785069232203117
Energy: 0.9774867807460585
Energy: 1.022013512138262
Energy: 1.0816516096736213
Energy: 0.9773145356557151
Energy: 1.081651609672583
Energy: 1.0211966744136558
Energy: 1.0810042035200662
Energy: 0.9766338182750306
Energy: 1.0810042035169507
Energy: 0.9746433831458547
Energy: 0.9771228296367417
Energy: 0.9206181857439313
Energy: 0.9771228296377803
Energy: 0.9762668641441956
Energy: 0.9771598910779283
Energy: 0.9206393312990212
Energy: 0.977159891078967
Energy: 0.9190473840921354
Energy: 0.9733983621881487
Energy: 1.0400367048116568
Energy: 0.9733983621881487

minimum gb energy = 0.9190473840921354 eV
minimum distance =  2.45403228259776 Angstroms
sigma value = 25


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

Energy: 1.1442051164533638
Energy: 0.9577687475950393
Energy: 1.0910383282254066
Energy: 1.0892106337635203
Energy: 1.0902115122564626
Energy: 1.0233634875156772
Energy: 0.9755123687031094
Energy: 1.0233634875143927
Energy: 1.0897901228568658
Energy: 1.0897217931851502
Energy: 1.085560742963614
Energy: 1.089721793183866
Energy: 0.9519198156504967
Energy: 1.024315751434189
Energy: 0.9753710858322443
Energy: 1.024315751434189
Energy: 0.9727971050893593
Energy: 1.0602282143508213
Energy: 0.9759147366447541
Energy: 1.0602282143508213
Energy: 0.950351827405235
Energy: 1.0629479337776635
Energy: 0.9744087542210977
Energy: 1.062947933778948
Energy: 0.9456702941555957
Energy: 1.0602380941702423
Energy: 0.9759423155299702
Energy: 1.0602380941702423
Energy: 0.9457967953615843
Energy: 0.9787655390217295
Energy: 0.9793233577993758
Energy: 0.9787655105958216
Energy: 1.090890308026226
Energy: 1.0910038948793024
Energy: 1.2309536558541605
Energy: 1.0910038948793024
Energy: 1.0921122598008406
Energy: 1.061687561703014
Energy: 0.9470849971905169
Energy: 1.0616875617042982
Energy: 1.085487097575413
Energy: 1.0899597185878571
Energy: 1.0897106072458203
Energy: 1.0899597185878571
Energy: 1.0877392402579462
Energy: 1.0251187212491768
Energy: 1.09287708015088
Energy: 1.0251187212491768
Energy: 0.9753131443601718
Energy: 1.074901691643934
Energy: 0.9725536129586001
Energy: 1.074901691643934
Energy: 0.9767002312722964
Energy: 1.062099167605452
Energy: 0.9525666955642655
Energy: 1.0620991676041676
Energy: 0.9760455158445756
Energy: 1.0611814361521321
Energy: 0.9457705534099277
Energy: 1.0611814361534162
Energy: 0.9753767703347342
Energy: 1.0597485396601958
Energy: 0.9459092520715182
Energy: 1.059748539657627
Energy: 1.217524485977539
Energy: 0.951495520015537
Energy: 1.0926192051397394
Energy: 0.9514955200181057

minimum gb energy = 0.9456702941555957 eV
minimum distance =  2.51094949084961 Angstroms
sigma value = 17


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

Energy: 1.5801145662678147
Energy: 1.1169704734545436
Energy: 1.1976500406801147
Energy: 1.195602829434902
Energy: 0.9749461494994472
Energy: 1.0484445846743917
Energy: 1.1404827934470412
Energy: 1.0484445846729369
Energy: 1.042242800178529
Energy: 1.0409815849412065
Energy: 1.1091103465844743
Energy: 1.0409815849426614
Energy: 1.0410460783889268
Energy: 1.0917876524972954
Energy: 1.0453371444180315
Energy: 1.091787652496568
Energy: 1.0434726320405567
Energy: 1.1338084946914773
Energy: 0.9751600355566268
Energy: 1.1338084946907496
Energy: 1.0473361787180502
Energy: 1.0944685966115468
Energy: 1.0421429785355274
Energy: 1.0944685965737566
Energy: 1.1029022992407571
Energy: 1.041328981442375
Energy: 1.0409307718503273
Energy: 1.0413289814438298
Energy: 1.2080442346108005
Energy: 1.0459478287429036
Energy: 1.002079479041589
Energy: 1.0459478287429036
Energy: 1.1979308679860652
Energy: 1.1964163638476337
Energy: 1.1952606413940474
Energy: 1.1964163638476337
Energy: 1.2021394097015001
Energy: 1.109555159542753
Energy: 1.0480543529093096
Energy: 1.1095551595420257
Energy: 1.0410776498807919
Energy: 1.0289943627444555
Energy: 0.9957247870525956
Energy: 1.0289943627437284
Energy: 1.1171025269724228
Energy: 1.03077233314949
Energy: 0.9993975504790719
Energy: 1.030772333147308
Energy: 1.1027926860501338
Energy: 1.0320879572835813
Energy: 1.0313524006800308
Energy: 1.0320879572821264
Energy: 1.104132482657697
Energy: 1.0323216276250298
Energy: 0.9964855434076514
Energy: 1.0323216276235752
Energy: 1.2011963236677303
Energy: 1.1164376259611752
Energy: 1.1130332168187498
Energy: 1.1164376259604483
Energy: 1.1981810659757182
Energy: 1.1114087483158275
Energy: 1.2064528751516324
Energy: 1.1114087483172825
Energy: 1.2006529671900725
Energy: 1.041180142274702
Energy: 1.041001205905927
Energy: 1.0411801422717926
Energy: 1.1097932467818776
Energy: 1.0402061441986616
Energy: 1.038545885532467
Energy: 1.0402061442001163
Energy: 1.0412551624844473
Energy: 1.1343051231879229
Energy: 1.0417305496255358
Energy: 1.1343051231879229
Energy: 1.0847233233902678
Energy: 1.132562521016112
Energy: 1.0417533461885504
Energy: 1.1325625210182941
Energy: 1.0433170049617528
Energy: 1.0474766557967368
Energy: 1.1159495087463822
Energy: 1.0474766557952822
Energy: 1.041148443118806
Energy: 1.0421567159687708
Energy: 1.1032749573298315
Energy: 1.0421567159665888
Energy: 1.0452470169182169
Energy: 1.1082942543161416
Energy: 1.1392834197682176
Energy: 1.1082942543146868
Energy: 1.195128838017495
Energy: 1.196709441795358
Energy: 1.1948143722031765
Energy: 1.1967094417960857
Energy: 1.0255690315666068
Energy: 1.0319713980907048
Energy: 1.1116976008958779
Energy: 1.0319713980914325
Energy: 0.9978557659173192
Energy: 1.03111081693578
Energy: 1.0410522115636123
Energy: 1.031110816933598
Energy: 0.9953827142925361
Energy: 1.0018810894081165
Energy: 1.1155998881113438
Energy: 1.0018810894081165
Energy: 0.9981945365613611
Energy: 1.0303329895683613
Energy: 1.1037427231735388
Energy: 1.0303329895698163
Energy: 1.02786354748056
Energy: 1.0334209144124733
Energy: 1.1034153112372747
Energy: 1.033420914413201
Energy: 1.1157219133479166
Energy: 1.1963719393840815
Energy: 1.1957886537693287
Energy: 1.1963719393833543

minimum gb energy = 0.9749461494994472 eV
minimum distance =  2.47983630759371 Angstroms
sigma value = 53


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

Energy: 1.4366662160711592
Energy: 0.9420175568835598
Energy: 1.1179604105407561
Energy: 1.1157187567351226
Energy: 1.2819219408990774
Energy: 0.9923868669418907
Energy: 1.1112877194548314
Energy: 0.9923868669435653
Energy: 1.1161710406962382
Energy: 1.1147731308484157
Energy: 1.1210769068846593
Energy: 1.1147731308450666
Energy: 1.1097196389832442
Energy: 0.9934750829087623
Energy: 1.1083969562119813
Energy: 0.9934750829087623
Energy: 1.1162931056513723
Energy: 0.9925554056780751
Energy: 0.9261748898174827
Energy: 0.9925554056814242
Energy: 1.1093805700684936
Energy: 0.9951283439311717
Energy: 0.9267059922624227
Energy: 0.9951283439395444
Energy: 1.2815697709014018
Energy: 1.1091655028951264
Energy: 1.1109555099303943
Energy: 1.1091655028951264
Energy: 1.2803177147095957
Energy: 0.9949791862335229
Energy: 1.1072080288402626
Energy: 0.9949791862335229
Energy: 1.1150963381151644
Energy: 1.110315949071208
Energy: 1.1202848938150831
Energy: 1.1103159490728824
Energy: 1.1076175254172158
Energy: 0.9943465723024971
Energy: 1.1139341089789143
Energy: 0.994346572314219
Energy: 1.115097527387434
Energy: 0.9958162302568756
Energy: 0.9430750839687463
Energy: 0.99581623025855
Energy: 1.1114989039720076
Energy: 0.9924617241312833
Energy: 0.9284955210757332
Energy: 0.9924617241312833
Energy: 1.2803384968811222
Energy: 0.9965606933832141
Energy: 1.1062106175899251
Energy: 0.9965606933832141

minimum gb energy = 0.9261748898174827 eV
minimum distance =  2.49562546711296 Angstroms
sigma value = 9


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

Energy: 1.3965500104036541
Energy: 1.1515419679027017
Energy: 1.2523584628450408
Energy: 1.2520574940012825
Energy: 1.080654607760225
Energy: 1.020114344989145
Energy: 1.2440881383806124
Energy: 1.0201143449903847
Energy: 1.0211307940141154
Energy: 1.0210667705016157
Energy: 1.2245401466716468
Energy: 1.0210667705028553
Energy: 1.0242622192777637
Energy: 1.020179311694324
Energy: 1.3157622398939102
Energy: 1.0201793116930848
Energy: 1.0226996962517114
Energy: 1.0204106991547515
Energy: 1.314604627933238
Energy: 1.020410699153512
Energy: 1.0193691647322256
Energy: 1.0201791870032815
Energy: 1.31509636691034
Energy: 1.0201791870051407
Energy: 1.2488351950992964
Energy: 1.2269755607193495
Energy: 1.243424489963746
Energy: 1.2269755607199695
Energy: 1.2463507598067574
Energy: 1.1300705830244597
Energy: 1.2255511858811587
Energy: 1.1300705830244597
Energy: 1.0781381041797695
Energy: 1.1450927938161375
Energy: 1.1055821656879035
Energy: 1.1450927938167572
Energy: 1.0204266483574642
Energy: 1.1107657117862617
Energy: 1.226588503213033
Energy: 1.1107657117992766
Energy: 1.0757146999293035
Energy: 1.0762942053488598
Energy: 1.136164601824734
Energy: 1.0762942053494795
Energy: 1.0902672155136768
Energy: 1.0777480116532834
Energy: 1.3126152878815445
Energy: 1.077748011653903
Energy: 1.2406810831089354
Energy: 1.0762354541165045
Energy: 1.0929486708590765
Energy: 1.0762354541134054
Energy: 1.2502273328957452
Energy: 1.077225892978894
Energy: 1.0777085116384895
Energy: 1.0772258929813732
Energy: 1.2244941536491767
Energy: 1.1117607507673333
Energy: 1.0900471804052965
Energy: 1.111760750767953
Energy: 1.1867801485893728
Energy: 1.1477464860613276
Energy: 1.0891552324850042
Energy: 1.1477464860613276
Energy: 1.2270280116061199
Energy: 1.0199124379211064
Energy: 1.079168733314095
Energy: 1.019912437919867
Energy: 1.2505112563478373
Energy: 1.226900383849191
Energy: 1.3132288010100337
Energy: 1.226900383848571
Energy: 1.244374064217665
Energy: 1.020749289828412
Energy: 1.080878452158092
Energy: 1.0207492898253132
Energy: 1.2942286054566876
Energy: 1.0221398471913146
Energy: 1.0269908682216364
Energy: 1.022139847190695
Energy: 1.318831894794597
Energy: 1.0200474406307167
Energy: 1.021344937312847
Energy: 1.0200474406325761
Energy: 1.3161090886533648
Energy: 1.0199816736204916
Energy: 1.0202961053329858
Energy: 1.0199816736211114
Energy: 1.3150989279891103
Energy: 1.020552888304513
Energy: 1.0194847896233112
Energy: 1.0205528883057524
Energy: 1.2449503412470075
Energy: 1.226545578188728
Energy: 1.2493625181301096
Energy: 1.2265455781893477
Energy: 1.2260718327511841
Energy: 1.2260437077609294
Energy: 1.2477803196450703
Energy: 1.2260437077627888
Energy: 1.0908244960609341
Energy: 1.1448550285832277
Energy: 1.0765309017025761
Energy: 1.1448550285838475
Energy: 1.2283668681341484
Energy: 1.1102935263822051
Energy: 1.0197150053401143
Energy: 1.110293526385304
Energy: 1.1353247470803087
Energy: 1.0789519950159194
Energy: 1.0769444915081448
Energy: 1.0789519950165392
Energy: 1.312820027273731
Energy: 1.0934319009531275
Energy: 1.0895773798390795
Energy: 1.0934319009525075
Energy: 1.0920962376295655
Energy: 1.0662075609107744
Energy: 1.2499185558279853
Energy: 1.066207560912014
Energy: 1.0800175147160969
Energy: 1.0780234128970518
Energy: 1.223441532995231
Energy: 1.0780234128976716
Energy: 1.0848592213841592
Energy: 1.0653914102325879
Energy: 1.2246930737125832
Energy: 1.0653914102332074
Energy: 1.0900390473720996
Energy: 1.14726487519704
Energy: 1.1349302770542204
Energy: 1.1472648751958006
Energy: 1.0779633246597915
Energy: 1.0201594183640712
Energy: 1.139754394390209
Energy: 1.0201594183634515
Energy: 1.3123690139490367
Energy: 1.2263338992220776
Energy: 1.227184603621174
Energy: 1.2263338992195982

minimum gb energy = 1.0193691647322256 eV
minimum distance =  2.47016739901593 Angstroms
sigma value = 73


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

Energy: 1.498495197906241
Energy: 1.1055162613956793
Energy: 1.2129563693162184
Energy: 1.2136400184738925
Energy: 1.0943677734447208
Energy: 1.044225845942768
Energy: 1.175353644666057
Energy: 1.044225845942768
Energy: 1.0449292950717481
Energy: 1.0443333014081324
Energy: 1.2145968894787822
Energy: 1.0443333014081324
Energy: 1.044576829176127
Energy: 1.046185014297418
Energy: 1.3013821609183727
Energy: 1.0461850142984013
Energy: 1.0487518891909815
Energy: 1.048333204694051
Energy: 1.2946016836686636
Energy: 1.048333204694051
Energy: 1.1176189513740333
Energy: 1.0485344081112797
Energy: 1.2948225741569153
Energy: 1.048534408112263
Energy: 1.1680789307482102
Energy: 1.2069397864319469
Energy: 1.2257289312808493
Energy: 1.2069397864339133
Energy: 1.1094987029840624
Energy: 1.1507315921547232
Energy: 1.2064507930224262
Energy: 1.1507315921586567
Energy: 1.087818627022175
Energy: 1.1655700183545583
Energy: 1.2091270178958409
Energy: 1.1655700183555415
Energy: 1.1029932443372785
Energy: 1.0719077464239284
Energy: 1.207704750943298
Energy: 1.0719077464239284
Energy: 1.088701769216612
Energy: 1.0215510055607575
Energy: 1.030373364786762
Energy: 1.0215510055607575
Energy: 1.0871566883320274
Energy: 1.0237262732507528
Energy: 1.275365445417221
Energy: 1.0237262732507528
Energy: 1.211814431340173
Energy: 1.0945785781951383
Energy: 1.0816010986252766
Energy: 1.0945785781931714
Energy: 1.2122234371228617
Energy: 1.0969910446380466
Energy: 1.0890354881607207
Energy: 1.0969910446360802
Energy: 1.2284931968534873
Energy: 1.154398432102732
Energy: 1.0855319154877603
Energy: 1.154398432102732
Energy: 1.2949865409761385
Energy: 1.0831140209350347
Energy: 1.083733645907294
Energy: 1.083114020936018
Energy: 1.296501573610897
Energy: 1.152867467802341
Energy: 1.0879560516808195
Energy: 1.1528674678013575
Energy: 1.1778968842791546
Energy: 1.1768021433884137
Energy: 1.1621556838043239
Energy: 1.1768021433893971
Energy: 1.1731274923272437
Energy: 1.11941634387637
Energy: 1.169556030591441
Energy: 1.1194163438773532
Energy: 1.1838838809068064
Energy: 1.122865139477758
Energy: 1.1701012641036592
Energy: 1.1228651394767748
Energy: 1.1735382727102464
Energy: 1.120400877271523
Energy: 1.1019159900638367
Energy: 1.1204008772695564
Energy: 1.2941053528495647
Energy: 1.1680457830354212
Energy: 1.1704147841315187
Energy: 1.1680457830324713

minimum gb energy = 1.0215510055607575 eV
minimum distance =  2.45834058070303 Angstroms
sigma value = 7


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

Energy: 1.7589860457293196
Energy: 1.0618198755723394
Energy: 1.2236526951502602
Energy: 1.2175015070321324
Energy: 1.1502308553237415
Energy: 1.0479197304305734
Energy: 1.284218114557759
Energy: 1.0479197304305734
Energy: 1.058404995543541
Energy: 1.0554923244430696
Energy: 1.1628736684777299
Energy: 1.0554923244361165
Energy: 1.0504297642074718
Energy: 1.0485694777132535
Energy: 1.2777926322472146
Energy: 1.0485694777132535
Energy: 1.0504186037492542
Energy: 1.0500939033590004
Energy: 1.25329014707287
Energy: 1.0500939033596957
Energy: 1.0492838216821256
Energy: 1.0491767711941704
Energy: 1.2521336987453386
Energy: 1.049176771193475
Energy: 1.2764077714891526
Energy: 1.0525815040774993
Energy: 1.0472988337171008
Energy: 1.05258150407889
Energy: 1.2829240983299353
Energy: 1.048653586957217
Energy: 1.0492958704580455
Energy: 1.048653586959303
Energy: 1.1635352719486685
Energy: 1.0478126586094156
Energy: 1.0470690305829264
Energy: 1.047812658612197
Energy: 1.2698216305574377
Energy: 1.0534445426130934
Energy: 1.050121668745869
Energy: 1.053444542620742
Energy: 1.283458032817128
Energy: 1.1621347798449284
Energy: 1.168061837845965
Energy: 1.1621347798386705
Energy: 1.1610774127734342
Energy: 1.161336941150169
Energy: 1.241647247123435
Energy: 1.1613369411459973
Energy: 1.1612560459391748
Energy: 1.1180823695719577
Energy: 1.164893878727954
Energy: 1.118082369575434
Energy: 1.1609791777525056
Energy: 1.1136409458929444
Energy: 1.0669154332220774
Energy: 1.1136409458915537
Energy: 1.163910724473894
Energy: 1.119308473303491
Energy: 1.073488018339675
Energy: 1.1193084733062721
Energy: 1.2970283529818363
Energy: 1.1621974546039282
Energy: 1.163112154253377
Energy: 1.1621974546074045
Energy: 1.298885542072042
Energy: 1.1628173773207158
Energy: 1.2829799736235659
Energy: 1.1628173773228017
Energy: 1.0503637775156063
Energy: 1.0853182472744958
Energy: 1.1636261254515639
Energy: 1.085318247277277
Energy: 1.0448747624606949
Energy: 1.0467479369630797
Energy: 1.2859257291070636
Energy: 1.04674793695265
Energy: 1.0492139295271392
Energy: 1.0492692676396382
Energy: 1.080774528075474
Energy: 1.0492692676438102
Energy: 1.0473125001847978
Energy: 1.0521584846727452
Energy: 1.2580025800186891
Energy: 1.0521584846727452
Energy: 1.281165210462739
Energy: 1.0497143725469968
Energy: 1.048432740532628
Energy: 1.0497143725511688
Energy: 1.2801109895589091
Energy: 1.0503984884767212
Energy: 1.0505663209916418
Energy: 1.0503984884767212
Energy: 1.2774311359306976
Energy: 1.0485665923771545
Energy: 1.0499069137818702
Energy: 1.0485665923771545
Energy: 1.2543565918599113
Energy: 1.0562499288501364
Energy: 1.0586136587988801
Energy: 1.0562499288522227
Energy: 1.2522782892800242
Energy: 1.0483963971476926
Energy: 1.0553468032166569
Energy: 1.0483963971476926
Energy: 1.2241560257608064
Energy: 1.217293094849111
Energy: 1.5135001666513193
Energy: 1.2172930948477203
Energy: 1.1599210032487612
Energy: 1.1158908476539573
Energy: 1.1605749115273867
Energy: 1.1158908476504805
Energy: 1.1631208553495131
Energy: 1.1176927107970793
Energy: 1.1639625066571115
Energy: 1.1176927107936026
Energy: 1.1604443697121125
Energy: 1.1169128163575595
Energy: 1.066516119113388
Energy: 1.1169128163672621
Energy: 1.299613703215762
Energy: 1.1619548067687884
Energy: 1.1598219928583118
Energy: 1.1619548067618668

minimum gb energy = 1.0448747624606949 eV
minimum distance =  2.46127118419795 Angstroms
sigma value = 29


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

Energy: 0.9832618920465986
Energy: 0.9854208710711507
Energy: 1.1405928273013104
Energy: 1.188827575581166
Energy: 1.0294269792789297
Energy: 1.0897367953381685
Energy: 1.014895091012906
Energy: 1.089736795340052
Energy: 1.0152394141627787
Energy: 1.0568377283783177
Energy: 0.9901865882016826
Energy: 1.05683772837786
Energy: 0.989930679586234
Energy: 1.0041732344456562
Energy: 1.0257098013247732
Energy: 1.004173234445414
Energy: 1.0135055163757274
Energy: 1.00857035355223
Energy: 0.9924228445248554
Energy: 1.0085703535517725
Energy: 1.0254995086817955
Energy: 1.0809308031508424
Energy: 0.9895936981228408
Energy: 1.0809308031508424
Energy: 0.9891913963670445
Energy: 1.0568629616302352
Energy: 1.0175248003482833
Energy: 1.0568629616292662
Energy: 1.0148624268500417
Energy: 1.0179370598427318
Energy: 1.0213322048982414
Energy: 1.0179370598427318
Energy: 1.0292976318458595
Energy: 1.0093830329781674
Energy: 1.0121818511793614
Energy: 1.0093830329703632

minimum gb energy = 0.9832618920465986 eV
minimum distance =  2.47377048266348 Angstroms
sigma value = 5


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

Energy: 1.5015484596434954
Energy: 0.9668696330421868
Energy: 1.1594849912552012
Energy: 0.9892676069862604
Energy: 1.0646046395278703
Energy: 0.9893375362838128
Energy: 1.1403117467947486
Energy: 0.9893375362838128
Energy: 1.1416611751329406
Energy: 1.0650521932606962
Energy: 1.144424898829677
Energy: 1.0650521932600394
Energy: 1.0965096691333798
Energy: 1.064369046678515
Energy: 1.1307198357841277
Energy: 1.0643690466824558
Energy: 1.07549725601127
Energy: 0.9856506159468081
Energy: 1.0980496198705723
Energy: 0.9856506159422105
Energy: 0.9872145319911823
Energy: 0.9870568726329956
Energy: 1.0990351309563662
Energy: 0.9870568726329956
Energy: 0.9851615556259516
Energy: 0.984926442514014
Energy: 1.1320990056817404
Energy: 0.984926442514014
Energy: 0.991184493679707
Energy: 0.9903902307677854
Energy: 1.220243227851513
Energy: 0.9903902307605605
Energy: 1.110604376319238
Energy: 1.0138900448383843
Energy: 1.1923483465361728
Energy: 1.0138900448377275
Energy: 1.289361722939731
Energy: 0.9697301465425138
Energy: 0.9761519096539131
Energy: 0.9697301465412002
Energy: 1.1101517649394728
Energy: 0.967027155909013
Energy: 0.9697606707245013
Energy: 0.9670271559017879
Energy: 1.2409425952609092
Energy: 0.9689751171195163
Energy: 0.967068290007576
Energy: 0.9689751171149186
Energy: 1.2548636990334057
Energy: 0.9670801844669453
Energy: 0.9820416997452571
Energy: 0.9670801844695726
Energy: 1.1101210380848232
Energy: 0.9548963072979939
Energy: 1.2522229102517162
Energy: 0.9548963072960235
Energy: 1.0500613276216197
Energy: 0.9523134955144738
Energy: 1.248558508037478
Energy: 0.9523134955151306
Energy: 1.050099493472376
Energy: 0.9536908248934329
Energy: 1.0057866511630944
Energy: 0.9536908248901488
Energy: 1.0432223109773167
Energy: 0.9536929980836173
Energy: 1.0041291503403167
Energy: 0.9536929980869013
Energy: 1.1757018096031637
Energy: 0.9570680064488001
Energy: 1.0059934368705932
Energy: 0.957068006445546
Energy: 1.2004713170788606
Energy: 1.0348980472360059
Energy: 1.0061244112889196
Energy: 1.0348980472314084
Energy: 1.171109357057396
Energy: 1.1098095932182015
Energy: 1.098800282043949
Energy: 1.109809593220172
Energy: 1.092970862295443
Energy: 1.000087416013728
Energy: 1.009426685211832
Energy: 1.000087416013728
Energy: 1.0981939394929134
Energy: 0.9923965839819417
Energy: 0.9929527315941402
Energy: 0.9923965839799714
Energy: 1.227656558629561
Energy: 0.992547322635826
Energy: 0.9948283481383816
Energy: 0.9925473226338557
Energy: 1.256240012313865
Energy: 0.9955462253555252
Energy: 1.000893250197533
Energy: 0.9955462253483003
Energy: 1.1886447836446739
Energy: 1.0748123853102052
Energy: 1.0143742592076306
Energy: 1.0748123853088916
Energy: 0.9692491505355769
Energy: 0.965536380036944
Energy: 1.2895246570173873
Energy: 0.9655363800395713
Energy: 0.9658363215069821
Energy: 0.962030940037237
Energy: 1.0365988890644635
Energy: 0.962030940033953
Energy: 0.9662718804983595
Energy: 0.9638429170755425
Energy: 1.0641591375740704
Energy: 0.9638429170748857
Energy: 0.960533024041768
Energy: 0.9619190142767267
Energy: 1.2180423499798683
Energy: 0.9619190142668744
Energy: 1.2493080934620968
Energy: 1.0093318049417277
Energy: 1.0135122210147893
Energy: 1.0093318049391005
Energy: 1.250238159937093
Energy: 0.9859573220960066
Energy: 0.9916022752090582
Energy: 0.985957322091409
Energy: 1.1286664737205045
Energy: 0.9858342725677982
Energy: 0.9891507676575327
Energy: 0.9858342725677982
Energy: 0.9951037738871726
Energy: 0.9853276481377901
Energy: 0.9845799624062938
Energy: 0.9853276481391037

minimum gb energy = 0.9523134955144738 eV
minimum distance =  2.43387946834174 Angstroms
sigma value = 1


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

Energy: 1.4869697105647341
Energy: 0.8993409443059002
Energy: 1.121397636625748
Energy: 0.9316344324856275
Energy: 0.9663232515658764
Energy: 0.9366574619331433
Energy: 1.1481919480203455
Energy: 0.9366574619367759
Energy: 1.147951314716466
Energy: 1.0338037367590076
Energy: 1.1510976184712998
Energy: 1.033803736761732
Energy: 0.9586024566900961
Energy: 1.0345352886812211
Energy: 1.1343983564225713
Energy: 1.0345352886803127
Energy: 0.9321581053556657
Energy: 0.9310027154591617
Energy: 1.1438248856120996
Energy: 0.9310027154591617
Energy: 0.9307378228065665
Energy: 0.9324016113831168
Energy: 1.1439285939903894
Energy: 0.9324016113794843
Energy: 0.9294529716547251
Energy: 0.9298084813470209
Energy: 1.135820890561016
Energy: 0.9298084813461128
Energy: 0.9394177736703567
Energy: 0.9382628865266345
Energy: 1.30301179868462
Energy: 0.9382628865230019
Energy: 1.134946075086617
Energy: 0.9725804356410503
Energy: 1.3027813879952768
Energy: 0.9725804356401422
Energy: 1.1440990537724447
Energy: 0.9391587574060575
Energy: 0.9403149129768154
Energy: 0.9391587574069655
Energy: 1.1370780331826136
Energy: 0.9314031180905646
Energy: 0.9297410991251738
Energy: 0.9314031180951055
Energy: 1.2991202322868614
Energy: 0.9439778590884469
Energy: 0.9312015562477524
Energy: 0.9439778590884469
Energy: 1.2990692429515434
Energy: 0.9323842337085302
Energy: 0.931142740979136
Energy: 0.9323842337058058
Energy: 1.1333617544106787
Energy: 1.0338613957749745
Energy: 1.149347079524923
Energy: 1.0338613957740663
Energy: 0.9621930310931665
Energy: 1.0324943507610056
Energy: 1.1477855227205271
Energy: 1.0324943507573734
Energy: 0.9581500690378894
Energy: 0.9344280104299887
Energy: 1.1353874805446464
Energy: 0.9344280104308967
Energy: 0.9312815191925914
Energy: 0.9317433687585448
Energy: 1.1463461673979924
Energy: 0.9317433687612694
Energy: 0.939831156165813
Energy: 0.9381278465937103
Energy: 1.1597478543209536
Energy: 0.9381278465937103
Energy: 0.9303624939594941
Energy: 0.9311698519138172
Energy: 1.30289665985576
Energy: 0.9311698519138172
Energy: 0.933835522509668
Energy: 0.9394844500654683
Energy: 1.3031885711963163
Energy: 0.9394844500500299
Energy: 1.1442152293849215
Energy: 0.9682437726963191
Energy: 1.1360941470810824
Energy: 0.9682437726981356
Energy: 1.1459117426280316
Energy: 0.9340022935848898
Energy: 0.9349965170841597
Energy: 0.9340022935848898
Energy: 1.1350927359364318
Energy: 0.9303888783481585
Energy: 0.931827868314211
Energy: 0.9303888783490668
Energy: 1.2992374190473814
Energy: 0.9324874940646463
Energy: 0.9312720335395223
Energy: 0.9324874940628302

minimum gb energy = 0.8993409443059002 eV
minimum distance =  2.45601606524904 Angstroms
sigma value = 17


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

Energy: 1.5965788734317763
Energy: 0.8993870609817176
Energy: 1.1226334581992585
Energy: 0.9244223039339294
Energy: 0.9833012690695683
Energy: 0.9218638320177747
Energy: 1.0569345897489004
Energy: 0.9218638320188973
Energy: 1.1639814786419325
Energy: 0.9194990846272587
Energy: 1.0878389886033637
Energy: 0.9194990846238908
Energy: 1.230852944007037
Energy: 0.9680778375922626
Energy: 1.047925989571086
Energy: 0.9680778375928241
Energy: 1.0300439466370257
Energy: 0.9004730045802739
Energy: 1.232517139971381
Energy: 0.900473004582519
Energy: 0.9009935171561382
Energy: 0.9004091836140513
Energy: 1.1780397326293552
Energy: 0.9004091836179804
Energy: 0.9018401878070615
Energy: 0.8999646628862699
Energy: 0.9404957811762704
Energy: 0.8999646628840245
Energy: 0.9104766852051899
Energy: 0.9021011939657516
Energy: 1.1983221773218908
Energy: 0.9021011939657516
Energy: 1.1887535242514802
Energy: 0.902029768896269
Energy: 1.1627238167331206
Energy: 0.9020297688940238
Energy: 1.0952914665634055
Energy: 0.9724326765318488
Energy: 1.072859895347231
Energy: 0.9724326765329715
Energy: 1.1840543612675938
Energy: 0.9199496219853297
Energy: 0.9357868386011283
Energy: 0.9199496219836458
Energy: 1.1776428733291726
Energy: 0.9267032691641756
Energy: 1.0487681600952887
Energy: 0.9267032691641756
Energy: 1.1778425085955715
Energy: 0.9201159629604531
Energy: 0.9198329773170908
Energy: 0.9201159629587692
Energy: 1.0706332996839736
Energy: 0.9194838702939714
Energy: 0.9219525172574596
Energy: 0.9194838702917261
Energy: 1.2275894428318759
Energy: 0.9219362421155332
Energy: 0.9256591869306509
Energy: 0.9219362421144105
Energy: 1.198405766296444
Energy: 0.920100314657467
Energy: 0.9230039546702916
Energy: 0.9201003146535378
Energy: 0.9196069488932199
Energy: 0.9237089680273706
Energy: 1.2193202923972775
Energy: 0.9237089680279319
Energy: 0.9199354263039294
Energy: 0.9190459890760116
Energy: 1.1899500863773032
Energy: 0.9190459890776955
Energy: 0.9405705928770666
Energy: 0.9214434149947238
Energy: 1.15897989518375
Energy: 0.9214434149924785
Energy: 0.9212383525334729
Energy: 0.919228637239043
Energy: 1.1993655346599834
Energy: 0.9192286372356752
Energy: 1.0570542473980715
Energy: 0.921406575442054
Energy: 0.9206820111957736
Energy: 0.9214065754426154
Energy: 1.0880106378583254
Energy: 0.9240941362686047
Energy: 1.1664420913391944
Energy: 0.9240941362730951
Energy: 1.0489607681879467
Energy: 0.9658881163031666
Energy: 1.2300176476847737
Energy: 0.9658881163014827
Energy: 1.2368032032076415
Energy: 0.9021485039342892
Energy: 1.0293069363785323
Energy: 0.9021485039348504
Energy: 1.178036451842718
Energy: 0.9002752955287846
Energy: 0.899899633779313
Energy: 0.9002752955271006
Energy: 1.0500503962438485
Energy: 0.9010955721565475
Energy: 0.9079228549453148
Energy: 0.9010955721571088
Energy: 1.197629507359608
Energy: 0.9009760683404267
Energy: 0.9004162991942444
Energy: 0.9009760683421104
Energy: 1.0515925407999933
Energy: 0.9013282691053176
Energy: 1.1856031019707636
Energy: 0.9013282691047563
Energy: 1.0593055146479742
Energy: 0.9698784292764514
Energy: 1.0841529071848766
Energy: 0.9698784292730837
Energy: 0.9373792943330747
Energy: 0.9188100172176408
Energy: 1.1820448959513532
Energy: 0.918810017219886
Energy: 1.0478848292714054
Energy: 0.9205612680228035
Energy: 1.1781415203739871
Energy: 0.9205612680244875
Energy: 0.9191244224060496
Energy: 0.9205312460871825
Energy: 1.178453704264765
Energy: 0.9205312460905504
Energy: 0.9192779107485328
Energy: 0.918677014320427
Energy: 1.0719704920425601
Energy: 0.9186770143198656
Energy: 0.9302286136546383
Energy: 0.9218307041799739
Energy: 1.229981496882177
Energy: 0.9218307041816579
Energy: 1.0777252082711462
Energy: 0.9428965499480815
Energy: 1.1982658991228805
Energy: 0.9428965499503266
Energy: 1.4261446420552657
Energy: 0.9257457878235309
Energy: 0.9204859796322087
Energy: 0.9257457878240922
Energy: 1.1857689737108568
Energy: 0.9197457969194665
Energy: 0.9198439852946559
Energy: 0.919745796920589
Energy: 1.162653888616224
Energy: 0.9250952266261822
Energy: 0.9201922950334476
Energy: 0.9250952266284274

minimum gb energy = 0.8993870609817176 eV
minimum distance =  2.44620605452151 Angstroms
sigma value = 89


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

Energy: 1.7032095641087432
Energy: 0.8701313202411153
Energy: 0.839435980548982
Energy: 0.839879515822997
Energy: 0.8394483216854064
Energy: 0.9151761804646131
Energy: 0.8388131113685755
Energy: 0.9151761804646131
Energy: 0.8302993609247622
Energy: 0.9161173905272485
Energy: 0.8611381225015508
Energy: 0.9161173905287172
Energy: 0.8325880764510579
Energy: 0.9167186587777162
Energy: 0.8378711624504253
Energy: 0.9167186587777162
Energy: 0.8367080509895636
Energy: 0.8374342180732024
Energy: 0.8543953867116886
Energy: 0.8374342180746711
Energy: 0.8369056029130766
Energy: 0.8365116287265576
Energy: 0.8532148827388479
Energy: 0.8365116287280264
Energy: 0.8358590845268531
Energy: 0.8355536499649675
Energy: 0.8392238384552839
Energy: 0.8355536499664361
Energy: 0.8370648833474835
Energy: 0.8407112114605746
Energy: 0.8295309056114598
Energy: 0.8407112114620433
Energy: 0.8382745351749862
Energy: 0.8385040512704359
Energy: 0.8295143418284503
Energy: 0.8385040512704359
Energy: 0.8608442989088492
Energy: 0.9176457884608237
Energy: 0.8402794942899455
Energy: 0.9176457884608237
Energy: 0.839287097505581
Energy: 0.9065561529435365
Energy: 0.8290219674622424
Energy: 0.9065561529435365
Energy: 0.8526399436388146
Energy: 0.8357054040576704
Energy: 0.8388290153722092
Energy: 0.8357054040576704
Energy: 0.8543628701766066
Energy: 0.838807409653644
Energy: 0.8372532039297261
Energy: 0.8388074096521753
Energy: 0.8388686292491473
Energy: 0.8351310897101083
Energy: 0.8353926112815875
Energy: 0.8351310897115769
Energy: 0.8293865743726181
Energy: 0.8377420935292006
Energy: 0.8384018892403782
Energy: 0.8377420935277319

minimum gb energy = 0.8290219674622424 eV
minimum distance =  2.47884039239117 Angstroms
sigma value = 13


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

Energy: 1.587910572893607
Energy: 0.7956962176964366
Energy: 1.042643526695519
Energy: 0.8014140448935188
Energy: 0.8690892808216063
Energy: 0.7994000862391143
Energy: 0.9546591360072717
Energy: 0.7994000862317273
Energy: 0.9599628122418633
Energy: 0.7973492216583432
Energy: 0.9663248409716272
Energy: 0.7973492216632677
Energy: 1.0413033905867852
Energy: 0.8007865328160644
Energy: 0.9462277387268698
Energy: 0.8007865328086775
Energy: 1.1091474216598713
Energy: 0.9371823355837258
Energy: 0.8733120913600639
Energy: 0.9371823355880348
Energy: 0.9590708533689639
Energy: 0.8013558192121405
Energy: 0.8723489641423042
Energy: 0.8013558192090626
Energy: 0.96362794231732
Energy: 0.8005222167812446
Energy: 0.9429284710143271
Energy: 0.8005222167824757
Energy: 0.9117780138429344
Energy: 0.803685585313151
Energy: 1.0045605960356305
Energy: 0.8036855853063798
Energy: 0.7995410387885088
Energy: 0.8056943742671464
Energy: 0.902874929001507
Energy: 0.8056943742708399
Energy: 0.8037302803167233
Energy: 0.8003107633497354
Energy: 0.9493984882699207
Energy: 0.8003107633478886
Energy: 0.8031346603353525
Energy: 0.8154073379242334
Energy: 1.5886820441101086
Energy: 0.8154073379266958
Energy: 0.801004736558102
Energy: 0.8004438900958893
Energy: 0.9492736015473994
Energy: 0.8004438900940426
Energy: 0.8107936608813248
Energy: 0.9381410097558803
Energy: 0.9413590572872081
Energy: 0.9381410097589583
Energy: 0.9642676031286188
Energy: 0.9375630710349682
Energy: 1.041136505535042
Energy: 0.937563071038046
Energy: 1.0055715417880748
Energy: 0.7870901115871252
Energy: 0.9429696756757544
Energy: 0.7870901115852784
Energy: 1.0067114429174082
Energy: 0.7854417976729072
Energy: 0.8722919335015454
Energy: 0.7854417976796785
Energy: 1.123564287598853
Energy: 0.7845731775842081
Energy: 0.8697250757652286
Energy: 0.7845731775879016
Energy: 0.8009161661044906
Energy: 0.7851707278640095
Energy: 0.8607982987221485
Energy: 0.7851707278670874
Energy: 1.0722689848843532
Energy: 0.7886493145866431
Energy: 1.002450318141674
Energy: 0.7886493145878742
Energy: 0.8001010132861862
Energy: 0.7871107713335885
Energy: 1.0401001005463995
Energy: 0.7871107713329729
Energy: 1.2173422630379886
Energy: 0.7867409221861121
Energy: 1.0046457163841915
Energy: 0.7867409221836499
Energy: 0.7999981449650058
Energy: 0.9237220908695838
Energy: 0.8716710497883278
Energy: 0.9237220908769707
Energy: 0.8065177622097942
Energy: 0.9259565028846505
Energy: 0.8737329937588538
Energy: 0.9259565028828037
Energy: 0.8825274272407588
Energy: 0.924129407396337
Energy: 0.9457763441476664
Energy: 0.924129407400646
Energy: 0.8008540758720344
Energy: 0.8007346866932835
Energy: 1.005132820845086
Energy: 0.80073468668959
Energy: 0.8010938906845694
Energy: 0.7997549375014756
Energy: 1.0061730108137183
Energy: 0.7997549374971668
Energy: 0.7990617430016415
Energy: 0.7987044107814515
Energy: 0.9461594574331
Energy: 0.7987044107802205
Energy: 0.8215144878444826
Energy: 0.806458454115992
Energy: 0.9777910417363803
Energy: 0.8064584541110675
Energy: 0.9409251196646432
Energy: 0.8035354967789318
Energy: 1.0511427742758304
Energy: 0.8035354967795473
Energy: 1.0448198499542916
Energy: 0.845608580707903
Energy: 1.096725226465308
Energy: 0.8456085807042095
Energy: 1.1043157030168445
Energy: 0.8418129101696628
Energy: 1.217754740353613
Energy: 0.8418129101690471
Energy: 1.005330934827035
Energy: 0.7983829652024917
Energy: 1.0966584603549814
Energy: 0.7983829651926426
Energy: 1.0053873220256007
Energy: 0.7995257540310023
Energy: 0.814026865582197
Energy: 0.799525754041467
Energy: 1.1064197736932715
Energy: 0.7959758540215374
Energy: 0.7966737916376054
Energy: 0.7959758540264619
Energy: 1.0395284780541056
Energy: 0.7981209688566313
Energy: 0.8029600886741752
Energy: 0.7981209688455511

minimum gb energy = 0.7845731775842081 eV
minimum distance =  2.45761802351924 Angstroms
sigma value = 37


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

Energy: 1.2891795211957788
Energy: 0.7273320333531218
Energy: 0.7264761135921303
Energy: 0.7268239630459512
Energy: 1.2146136462196988
Energy: 0.7254063033337386
Energy: 0.9737426100295308
Energy: 0.7254063033326795
Energy: 1.2158728431464718
Energy: 0.7243398935195625
Energy: 0.9783667949869089
Energy: 0.7243398935174443
Energy: 1.214788682624876
Energy: 0.808763526412724
Energy: 0.9720100840197782
Energy: 0.808763526413783
Energy: 1.224017087611834
Energy: 0.8102324487897709
Energy: 0.9753077167427052
Energy: 0.8102324487887116
Energy: 0.9789565670673472
Energy: 0.7257408463298525
Energy: 0.996373515018204
Energy: 0.7257408463298525
Energy: 0.7208979146779474
Energy: 0.7240457435043693
Energy: 1.2255794893860092
Energy: 0.7240457435043693
Energy: 0.7361884457115694
Energy: 0.726066235082589
Energy: 1.2183465114578422
Energy: 0.726066235082589
Energy: 0.7242272982953473
Energy: 0.7285116633204273
Energy: 1.2182883952423285
Energy: 0.7285116633193682
Energy: 0.7232665878244268
Energy: 0.725930336481846
Energy: 1.2253607536420918
Energy: 0.725930336481846
Energy: 0.7264761135857758
Energy: 0.7268239630777232
Energy: 1.2891795211968375
Energy: 0.7273320333531218
Energy: 0.9737426100295308
Energy: 0.7254063033326795
Energy: 1.2146136462196988
Energy: 0.7254063033347975
Energy: 0.9783667949879681
Energy: 0.7243398935174443
Energy: 1.2158728431464718
Energy: 0.7243398935185034
Energy: 0.9720100840038921
Energy: 0.808763526413783
Energy: 1.214788682624876
Energy: 0.808763526412724
Energy: 0.9753077167437644
Energy: 0.8102324487897709
Energy: 1.2240170876128933
Energy: 0.8102324487897709
Energy: 0.996373515018204
Energy: 0.7257408463277343
Energy: 0.9789565670832334
Energy: 0.7257408463298525
Energy: 1.2255794893849503
Energy: 0.7240457435043693
Energy: 0.7208979146779474
Energy: 0.7240457435043693
Energy: 1.2183465114525707
Energy: 0.726066235082589
Energy: 0.7361884457105103
Energy: 0.726066235082589
Energy: 1.2182883952370331
Energy: 0.7285116633204273
Energy: 0.7242272982953473
Energy: 0.7285116633204273
Energy: 1.225360753643151
Energy: 0.7259303364829052
Energy: 0.7232665878233676
Energy: 0.7259303364829052

minimum gb energy = 0.7208979146779474 eV
minimum distance =  2.48504104946197 Angstroms
sigma value = 25


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

Energy: 1.5548193012382852
Energy: 0.6559260649624172
Energy: 0.9254679559629734
Energy: 0.650534230229367
Energy: 1.0534315430142773
Energy: 0.6477955609363214
Energy: 0.8508273836620623
Energy: 0.6477955609371484
Energy: 1.3861680514569386
Energy: 0.6470015914364079
Energy: 0.854719318945103
Energy: 0.6470015914372349
Energy: 1.0696883227346368
Energy: 0.6515929492914001
Energy: 0.850467980786486
Energy: 0.6515929492914001
Energy: 1.0652197956133385
Energy: 0.7131616897810087
Energy: 1.2216178608703079
Energy: 0.7131616897810087
Energy: 1.0536864486407296
Energy: 0.711244629385754
Energy: 1.2237781309685745
Energy: 0.711244629385754
Energy: 1.057713999363545
Energy: 0.715223141749581
Energy: 1.2236534545841908
Energy: 0.7152231417504079
Energy: 0.8502520387397181
Energy: 0.651705733763586
Energy: 1.2183162459472021
Energy: 0.651705733763586
Energy: 0.8547576279181535
Energy: 0.6469056492207835
Energy: 1.2207456010696256
Energy: 0.6469056492199566
Energy: 0.8560709048744316
Energy: 0.6479371295312901
Energy: 1.2210011456447054
Energy: 0.6479371295304631
Energy: 0.6479142592781905
Energy: 0.6517622564136399
Energy: 1.312125589748753
Energy: 0.6517622564111588
Energy: 0.6518404427369013
Energy: 0.6477837730297491
Energy: 1.2213702627016496
Energy: 0.6477837730289221
Energy: 0.6492658466417183
Energy: 0.6503847155710298
Energy: 1.0564185700628559
Energy: 0.6503847155710298
Energy: 0.6639262295715409
Energy: 0.6541270331282972
Energy: 1.3819845865883067
Energy: 0.6541270331266432
Energy: 0.8547744021985285
Energy: 0.6464684957083101
Energy: 1.3895534847046322
Energy: 0.6464684957083101
Energy: 0.8565883410850655
Energy: 0.6483715756149286
Energy: 1.3825964851203503
Energy: 0.6483715756165825
Energy: 1.0654673441032503
Energy: 0.648998372735385
Energy: 1.3825336467011
Energy: 0.6489983727370388
Energy: 0.8585400715650883
Energy: 0.7167842604630663
Energy: 1.2268643376448933
Energy: 0.7167842604622392
Energy: 1.220414979907191
Energy: 0.712205883392303
Energy: 1.056697223131325
Energy: 0.7122058833931297
Energy: 1.2219216429711834
Energy: 0.7119137555742602
Energy: 1.0544452482430662
Energy: 0.7119137555692981
Energy: 1.3130625617503628
Energy: 0.6504418162446443
Energy: 0.8584838371323159
Energy: 0.6504418162438548
Energy: 1.2228767197209502
Energy: 0.6463414678059146
Energy: 0.647795180921456
Energy: 0.6463414678059146
Energy: 1.220381573800394
Energy: 0.6496314628027263
Energy: 0.8502700500314876
Energy: 0.6496314628018995
Energy: 1.2170386439862655
Energy: 0.649843241392237
Energy: 0.647600550285291
Energy: 0.6498432413930638
Energy: 1.3902819464945513
Energy: 0.6464113976079318
Energy: 0.6473836583955911
Energy: 0.6464113976062777
Energy: 1.3804610068041578
Energy: 0.6487628282990211
Energy: 0.6536734895947213
Energy: 0.6487628282981941

minimum gb energy = 0.6463414678059146 eV
minimum distance =  2.4859334074283 Angstroms
sigma value = 41


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

Energy: 1.8346239477555526
Energy: 0.6060031302512585
Energy: 0.8861370340430015
Energy: 0.5984539247067946
Energy: 1.290819478497993
Energy: 0.5955469516879385
Energy: 0.7697894866716221
Energy: 0.5955469516825452
Energy: 1.4344716002604174
Energy: 0.5946182262834856
Energy: 0.7697719540621979
Energy: 0.5946182262834856
Energy: 1.2888783721918193
Energy: 0.6006753429736542
Energy: 0.9342873979104777
Energy: 0.6006753429784002
Energy: 1.2325259251801068
Energy: 0.5934602823064846
Energy: 1.0847402315998111
Energy: 0.5934602823078406
Energy: 1.2942828240597728
Energy: 0.594612641905619
Energy: 1.0810269444963114
Energy: 0.5946126418948018
Energy: 1.2992267931928563
Energy: 0.6506568644465658
Energy: 1.1825010293273357
Energy: 0.6506568644465658
Energy: 1.0904501582510133
Energy: 0.5951792491612139
Energy: 1.1462230925080108
Energy: 0.5951792491618918
Energy: 1.0068748174702298
Energy: 0.5947643238810978
Energy: 1.3648185514191686
Energy: 0.5947643238790637
Energy: 1.005402808832144
Energy: 0.5913414788382317
Energy: 1.2190822380780584
Energy: 0.5913414788382317
Energy: 0.7607358390169003
Energy: 0.5900725789528386
Energy: 1.4290922547249503
Energy: 0.5900725789474146
Energy: 0.7622396324103428
Energy: 0.5914185867526284
Energy: 1.2200701121311721
Energy: 0.5914185867519502
Energy: 0.7507382888953056
Energy: 0.5937274110311649
Energy: 1.2927736920419362
Energy: 0.5937274110304867
Energy: 0.6751788894121279
Energy: 0.5923332113707318
Energy: 1.4282554789571356
Energy: 0.5923332113700538
Energy: 0.6773391787564177
Energy: 0.5920384970980894
Energy: 1.498199788159381
Energy: 0.5920384971001235
Energy: 0.6846129974566324
Energy: 0.5908979214722642
Energy: 1.5057889269496698
Energy: 0.5908979214763324
Energy: 0.8561227045180253
Energy: 0.5928023962603799
Energy: 1.4955697571576136
Energy: 0.5928023962610579
Energy: 0.8452007682860753
Energy: 0.5877520105694068
Energy: 1.5001946756717177
Energy: 0.5877520105639829
Energy: 0.8513255812801219
Energy: 0.5906869395237976
Energy: 1.2953296821083016
Energy: 0.5906869395278656
Energy: 1.0670272457497294
Energy: 0.5892994985499928
Energy: 1.2943557601310895
Energy: 0.5892994985527048
Energy: 1.076985508931188
Energy: 0.5913577065941953
Energy: 1.2212408523432963
Energy: 0.5913577065921612
Energy: 1.0671822830494346
Energy: 0.6409600260696715
Energy: 1.2889683373240677
Energy: 0.6409600260425823
Energy: 1.3682978409146571
Energy: 0.6447595706450026
Energy: 1.2915153934280208
Energy: 0.6447595706456805
Energy: 1.1558202697722122
Energy: 0.6511498988299924
Energy: 1.0817703968955432
Energy: 0.6511498988333824
Energy: 1.3661752075029183
Energy: 0.6457935205319617
Energy: 1.0234438765462235
Energy: 0.6457935205130085
Energy: 1.4365745251581945
Energy: 0.5951739763919727
Energy: 1.079670618393572
Energy: 0.5951739763960099
Energy: 1.4285823505886615
Energy: 0.5978670989477641
Energy: 0.7657639727439209
Energy: 0.5978670989477641
Energy: 1.5072593022778942
Energy: 0.5940984300255575
Energy: 0.7660596650748797
Energy: 0.5940984300255575
Energy: 1.4403893454665122
Energy: 0.5974034230913084
Energy: 0.7716261398477035
Energy: 0.5974034230913084
Energy: 1.4362307592661268
Energy: 0.5969480602147066
Energy: 0.6053969328509122
Energy: 0.5969480602167405
Energy: 1.5078167719002162
Energy: 0.5939757291237803
Energy: 0.5950812122384034
Energy: 0.5939757291251363
Energy: 1.4319431345293512
Energy: 0.5999804292752235
Energy: 0.6047028591185277
Energy: 0.5999804292772576

minimum gb energy = 0.5877520105639829 eV
minimum distance =  2.48049959484955 Angstroms
sigma value = 15


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

Energy: 1.4801269134010915
Energy: 0.5576389366063667
Energy: 0.8420091465755242
Energy: 0.5497867021036295
Energy: 1.3370154457010641
Energy: 0.5445681826007481
Energy: 0.6901352911266695
Energy: 0.5445681826047686
Energy: 1.5860414341549163
Energy: 0.5438141112994457
Energy: 0.6942899486579066
Energy: 0.5438141112977226
Energy: 1.3487730067014936
Energy: 0.5468492389386308
Energy: 0.974479049173662
Energy: 0.5468492389397794
Energy: 1.3447080415387156
Energy: 0.5415533790366439
Energy: 0.9654131486744605
Energy: 0.5415533790354952
Energy: 1.340691044021472
Energy: 0.5424135255870244
Energy: 0.9636511796795606
Energy: 0.5424135255847269
Energy: 1.0921995377572966
Energy: 0.5488227608244084
Energy: 1.2163668649660793
Energy: 0.5488227608232596
Energy: 1.2208440123099467
Energy: 0.5915470932497494
Energy: 0.9626629900257685
Energy: 0.5915470932514726
Energy: 1.0902491700148187
Energy: 0.5876372028995046
Energy: 1.2127421662632565
Energy: 0.5876372029115663
Energy: 1.0889271341757005
Energy: 0.5885079384819972
Energy: 1.4612745190553922
Energy: 0.5885079384860178
Energy: 0.9717065515419372
Energy: 0.5447035220766979
Energy: 1.2271260547519225
Energy: 0.544703522092728
Energy: 0.8336681299500958
Energy: 0.541715362816789
Energy: 1.4589507340070162
Energy: 0.5417153628173634
Energy: 0.963828982894237
Energy: 0.5425611249374037
Energy: 1.4612923481016282
Energy: 0.5425611249179276
Energy: 0.698911288345084
Energy: 0.5471119401239929
Energy: 1.2244459975222732
Energy: 0.5471119401251415
Energy: 0.6872540074472715
Energy: 0.54217329636842
Energy: 1.581988879194416
Energy: 0.5421732963678456
Energy: 0.6931285550714779
Energy: 0.545589673423377
Energy: 1.4638137149248476
Energy: 0.5455896734228027
Energy: 0.5504910145804999
Energy: 0.5462346505760078
Energy: 1.468739880829436
Energy: 0.5462346505771565
Energy: 0.5426490650700356
Energy: 0.5432117423453386
Energy: 1.5805842669390684
Energy: 0.5432117423447644
Energy: 0.5556810408125995
Energy: 0.5456634427233896
Energy: 1.3446909942477818
Energy: 0.5456634427233896
Energy: 0.6964090177044107
Energy: 0.5453169344706011
Energy: 1.5885608846871488
Energy: 0.5453169344683036
Energy: 0.6848228002768763
Energy: 0.5423852792398227
Energy: 1.459607340144695
Energy: 0.5423852792398227
Energy: 0.6999897712884752
Energy: 0.5464830605832419
Energy: 1.3476341590433976
Energy: 0.5464830605826675
Energy: 0.9638296571023373
Energy: 0.5427970305355055
Energy: 1.337824675088083
Energy: 0.5427970305355055
Energy: 0.9660441784439688
Energy: 0.5419129092850589
Energy: 1.4601567829019093
Energy: 0.5419129092856333
Energy: 0.970239080111763
Energy: 0.5449425284478615
Energy: 1.096736095225913
Energy: 0.5449425284472871
Energy: 1.2157002721668053
Energy: 0.5904211661741103
Energy: 1.3494748388706863
Energy: 0.5904211661913411
Energy: 0.9641931583679331
Energy: 0.5876480524793319
Energy: 1.2140488983058397
Energy: 0.5876480524707164
Energy: 1.2198574820592114
Energy: 0.5920755512474566
Energy: 1.0965077990509415
Energy: 0.5920755512532002
Energy: 1.2185784727236608
Energy: 0.5466335729690508
Energy: 1.215614023306715
Energy: 0.5466335729701995
Energy: 1.2152739279837605
Energy: 0.542583046284681
Energy: 0.9642805513979047
Energy: 0.5425830462795117
Energy: 1.342499405216627
Energy: 0.54150823103507
Energy: 0.8335986907264179
Energy: 0.5415082310362188
Energy: 1.2227023615087644
Energy: 0.5479380218499567
Energy: 0.9719937685591118
Energy: 0.5479380218465627
Energy: 1.4622769682209948
Energy: 0.5439540518298128
Energy: 0.6931528654394273
Energy: 0.5439540518303873
Energy: 1.457994983187224
Energy: 0.5438018071297246
Energy: 0.6944110366828553
Energy: 0.5438018071274272
Energy: 1.4561347237623197
Energy: 0.5474357161057858
Energy: 0.559864966264537
Energy: 0.547435716107509
Energy: 1.4583514641055468
Energy: 0.5445460780988844
Energy: 0.5473691743305453
Energy: 0.5445460781000332
Energy: 1.5821461838316715
Energy: 0.5437252962290059
Energy: 0.5463772401528759
Energy: 0.5437252962295803

minimum gb energy = 0.54150823103507 eV
minimum distance =  2.49206358092702 Angstroms
sigma value = 85


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

Energy: 1.5911152327277394
Energy: 0.5160030666832022
Energy: 0.49434762379501884
Energy: 0.4918013033427649
Energy: 1.4116882316142465
Energy: 0.4929355344908256
Energy: 0.620896699678167
Energy: 0.49293553449032745
Energy: 1.4113923525447611
Energy: 0.4924485580572406
Energy: 0.6254061778332201
Energy: 0.4924485580572406
Energy: 1.1884665917870658
Energy: 0.49471914049956933
Energy: 0.8617739390412588
Energy: 0.4947191404990713
Energy: 1.4178230382039962
Energy: 0.49124577401999536
Energy: 0.8623806233122632
Energy: 0.4912457740214898
Energy: 1.1916445025406175
Energy: 0.49168196956252275
Energy: 0.8633180548718039
Energy: 0.4916819695630209
Energy: 1.1899394539709738
Energy: 0.4918611364238349
Energy: 1.0831548627784768
Energy: 0.49186113642532936
Energy: 1.3028568742702125
Energy: 0.4911232372744863
Energy: 0.8573288251437168
Energy: 0.49112323727249374
Energy: 1.191777970379398
Energy: 0.49145922050587926
Energy: 1.083244592752489
Energy: 0.49145922050837
Energy: 1.1917605159987037
Energy: 0.5690731990471906
Energy: 1.3018740245673677
Energy: 0.5690731990456962
Energy: 1.083053516828638
Energy: 0.6677983909982779
Energy: 1.0808663996452175
Energy: 0.6677983909997723
Energy: 0.9749648340840807
Energy: 0.49229431273718044
Energy: 1.302458429404919
Energy: 0.4922943127003403
Energy: 1.0823762956198832
Energy: 0.4912679688695269
Energy: 1.3019547966777467
Energy: 0.4912679688685306
Energy: 0.862067530518714
Energy: 0.4921766855202771
Energy: 1.0794027686357106
Energy: 0.4921766855212734
Energy: 0.7373263717879576
Energy: 0.49124297156263724
Energy: 1.5184603324815886
Energy: 0.4912429715621391
Energy: 0.8659897509535627
Energy: 0.4923725984530121
Energy: 1.3026775569533475
Energy: 0.49237259845201586
Energy: 0.6235049782189415
Energy: 0.4951640611337233
Energy: 1.2996020242753745
Energy: 0.4951640611337233
Energy: 0.6151760180799364
Energy: 0.4912388342852546
Energy: 1.4179734327114928
Energy: 0.4912388342857527
Energy: 0.6206636525317872
Energy: 0.49131668948876694
Energy: 1.5151788352783269
Energy: 0.4913166894897632
Energy: 0.49275953388331656
Energy: 0.4952740145823599
Energy: 1.515275951751123
Energy: 0.4952740145813636
Energy: 0.49253945553128176
Energy: 0.4913737617409327
Energy: 1.4174827509339178
Energy: 0.4913737617399364
Energy: 0.49144731509313894
Energy: 0.4964612229242315
Energy: 1.4080235718128284
Energy: 0.49646122292520517
Energy: 0.625878728021182
Energy: 0.4938446039642613
Energy: 1.621970445419093
Energy: 0.4938446039657557
Energy: 0.6179736777949918
Energy: 0.4913054603473221
Energy: 1.5194265413532586
Energy: 0.49130546034682393
Energy: 0.6205426882740381
Energy: 0.49143641507567526
Energy: 1.188672573190746
Energy: 0.4914364150761734
Energy: 0.8621774381000639
Energy: 0.4914111219285292
Energy: 1.6239746460550648
Energy: 0.4914111219295255
Energy: 0.8617342397870618
Energy: 0.4913133863998855
Energy: 1.4111828546651155
Energy: 0.4913133864003836
Energy: 0.9905056863206508
Energy: 0.49257427271243187
Energy: 1.1895618901287128
Energy: 0.49257427271243187
Energy: 1.0830100181615903
Energy: 0.4910349909406173
Energy: 1.4170380489358294
Energy: 0.4910349909376285
Energy: 1.083377387730346
Energy: 0.49165968999216997
Energy: 1.1917399679974146
Energy: 0.49165969003349336
Energy: 1.305149214209786
Energy: 0.5674189046315302
Energy: 0.9734414790020862
Energy: 0.5674189046320283
Energy: 1.0810354002661604
Energy: 0.5673416689777993
Energy: 1.202525822571247
Energy: 0.5673416690061708
Energy: 1.3038735295234174
Energy: 0.49201599754130526
Energy: 0.9708816461480039
Energy: 0.4920159975447923
Energy: 1.417692653582042
Energy: 0.49111412701305357
Energy: 0.9721765147153101
Energy: 0.49111412701404994
Energy: 1.0800639660221898
Energy: 0.49248738030642847
Energy: 0.8619322186863906
Energy: 0.4924873803054321
Energy: 1.5202453869142634
Energy: 0.4914747006137508
Energy: 0.8611328535590405
Energy: 0.49147470061325266
Energy: 1.518564019589424
Energy: 0.4917216119771906
Energy: 0.8622760917144824
Energy: 0.4917216119766924
Energy: 1.2993415916058921
Energy: 0.4956399908250164
Energy: 0.6207251919526194
Energy: 0.4956399908250164
Energy: 1.520090522416378
Energy: 0.4912232153291856
Energy: 0.617419131018246
Energy: 0.4912232153296838
Energy: 1.5153958232084492
Energy: 0.4936810388288232
Energy: 0.626526440538197
Energy: 0.49368103882832515
Energy: 1.298738687591713
Energy: 0.49588109174252326
Energy: 0.49157787061365243
Energy: 0.495881091745014
Energy: 1.4172636455757184
Energy: 0.49121501215486074
Energy: 0.4920452041164954
Energy: 0.49121501215585706
Energy: 1.4078557143608377
Energy: 0.4959533817681565
Energy: 0.49151338583120596
Energy: 0.4959533817686546

minimum gb energy = 0.4910349909376285 eV
minimum distance =  2.48824179684369 Angstroms
sigma value = 113


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

Energy: 0.014733292587040547
Energy: 0.016105435064764428
Energy: 1.2553106922028894
Energy: 0.4228134891607382
Energy: 0.015593835979474283
Energy: 0.10747791236395603
Energy: 0.9315432421690912
Energy: 0.10747791236282846
Energy: 0.015402713623947059
Energy: 0.10614188714599922
Energy: 0.9311742198929657
Energy: 0.10614188714563752
Energy: 0.016722155557752773
Energy: 0.10576961207338771
Energy: 0.929588775973507
Energy: 0.10576961207262182
Energy: 0.9330242189935622
Energy: 0.1082234527869722
Energy: 0.9322847454630003
Energy: 0.10822345278622757
Energy: 0.01520583785997853
Energy: 0.10575651280246635
Energy: 0.9298868207194829
Energy: 0.1057565128028493

minimum gb energy = 0.014733292587040547 eV
minimum distance =  2.71823602296709 Angstroms
sigma value = 1