Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01354834943575777
Energy: 1.4460550707637183
Energy: 0.01354834943575777
Energy: 1.4460550707634043
Energy: 0.01354834943575777
Energy: 1.4460550707628113
Energy: 1.4460550707630904
Energy: 0.2625371083078112
Energy: 1.4460550707640323
Energy: 0.26253710830871807
Energy: 1.4460550707637183
Energy: 0.2625371083078112
Energy: 0.01354834943575777
Energy: 1.4460550707640323
Energy: 0.01354834943575777
Energy: 1.4460550707630904
Energy: 0.01354834943575777
Energy: 1.4460550707634043
Energy: 1.4460550707628113
Energy: 0.2625371083078112
Energy: 1.4460550707624975
Energy: 1.1849048460687501
Energy: 1.4460550707634043
Energy: 1.5261133450388296
Energy: 0.01354834943575777
Energy: 1.4460550707637183
Energy: 0.01354834943575777
Energy: 1.4460550707634043
Energy: 0.01354834943544384
Energy: 1.4460550707628113
Energy: 1.4460550707634043
Energy: 0.2625371083065903
Energy: 1.4460550707628113
Energy: 1.526113345034818
Energy: 1.4460550707628113
Energy: 1.4802404185845384

minimum gb energy = 0.01354834943544384 eV
minimum distance =  2.32581717416692 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.622658280891437
Energy: 1.4522229882261835
Energy: 1.6226582808899255
Energy: 1.4522229882239164
Energy: 1.622658280890681
Energy: 1.4522229882292064
Energy: 1.7091467720815872
Energy: 1.330403249631044
Energy: 1.7091467720762976
Energy: 1.330403249631044
Energy: 1.7091467720694964
Energy: 1.3304032496302884
Energy: 1.574673641005756
Energy: 1.5269450157248747
Energy: 1.574673641005756
Energy: 1.5269450157241191
Energy: 1.5746736410050004
Energy: 1.5269450157233635
Energy: 1.6405707844478559
Energy: 1.4323351429926487
Energy: 1.6405707844486117
Energy: 1.4323351429934046
Energy: 1.6405707844493673
Energy: 1.43233514299416
Energy: 1.51291675975534
Energy: 1.6335606120508361
Energy: 1.51291675975534
Energy: 1.6335606120500803
Energy: 1.51291675975534
Energy: 1.6335606120500803
Energy: 1.5700672720974957
Energy: 1.3979232734474216
Energy: 1.5700672720974957
Energy: 1.3979232734496887
Energy: 1.5700672720959845
Energy: 1.3979232734527114
Energy: 1.4169947256856632
Energy: 1.586503617558785
Energy: 1.4169947256833961
Energy: 1.5865036175731082
Energy: 1.416994725681885
Energy: 1.5865036175670628
Energy: 1.4172324697986856
Energy: 1.6896764492529561
Energy: 1.4172324697964185
Energy: 1.6896764492499334
Energy: 1.4172324697888616
Energy: 1.689676449250689
Energy: 1.5897054978125758
Energy: 1.5888707332342822
Energy: 1.5897054978125758
Energy: 1.5888707332342822
Energy: 1.5897054978125758
Energy: 1.5888707332342822
Energy: 1.3228553827152083
Energy: 1.6795304459745108
Energy: 1.3228553827167195
Energy: 1.6795304459639315
Energy: 1.322855382715964
Energy: 1.6795304459677098
Energy: 1.523931604129821
Energy: 1.4073273632780288
Energy: 1.5239316041328435
Energy: 1.4073273632772731
Energy: 1.523931604129821
Energy: 1.4073273632772731
Energy: 1.2565542700367907
Energy: 1.6193808393996885
Energy: 1.2565542700367907
Energy: 1.6193808394019555
Energy: 1.2565542700367907
Energy: 1.6193808393989326
Energy: 1.7165166875557176
Energy: 1.2393317700837674
Energy: 1.7165166875579847
Energy: 1.2393317700845228
Energy: 1.7165166875594962
Energy: 1.2393317700845228
Energy: 1.4169614933809536
Energy: 1.5087896630486066
Energy: 1.4169614933794423
Energy: 1.5087896630440727
Energy: 1.4169614933786867
Energy: 1.5087896630440727
Energy: 1.7763788534178562
Energy: 1.3276164150763197
Energy: 1.7763788534178562
Energy: 1.3276164150748082
Energy: 1.7763788534193674
Energy: 1.3276164150793424
Energy: 1.7687152281398992
Energy: 1.567872630449332
Energy: 1.768715228140655
Energy: 1.5678726304500878
Energy: 1.768715228140655
Energy: 1.5678726304538662
Energy: 1.5744361892522285
Energy: 1.5290791804504518
Energy: 1.5744361892424048
Energy: 1.5290791804496962
Energy: 1.5744361892469387
Energy: 1.5290791804466735
Energy: 1.5739639697278904
Energy: 1.433862763636735
Energy: 1.5739639697210892
Energy: 1.4338627636344679
Energy: 1.5739639697203334
Energy: 1.4338627636329564
Energy: 1.4429366586342436
Energy: 1.4317703872134206
Energy: 1.4429366586327323
Energy: 1.4317703872134206
Energy: 1.4429366586349994
Energy: 1.4317703872103982
Energy: 1.548145900902956
Energy: 1.3985281438198116
Energy: 1.5481459009112684
Energy: 1.3985281438213228
Energy: 1.548145900912024
Energy: 1.3985281438183004
Energy: 1.3438733381142896
Energy: 1.6516172055543403
Energy: 1.3438733381135337
Energy: 1.6516172015193513
Energy: 1.3438733381135337
Energy: 1.6516171895918976
Energy: 1.5892853676726508
Energy: 1.5894448603737128
Energy: 1.5892853676794516
Energy: 1.589444860372957
Energy: 1.5892853676726508
Energy: 1.5894448603737128
Energy: 1.313930257091429
Energy: 1.7095071565470379
Energy: 1.313930257091429
Energy: 1.709507156544015
Energy: 1.313930257092185
Energy: 1.7095071565493045

minimum gb energy = 1.2393317700837674 eV
minimum distance =  2.33170291198018 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.7528880379889997
Energy: 1.6957469668163536
Energy: 1.6666936011264866
Energy: 1.6957469668086167
Energy: 1.7528880379915786
Energy: 1.695746966809906
Energy: 1.6437137977689573
Energy: 1.4680676567798645
Energy: 1.6437137977680978
Energy: 1.4680676567820137
Energy: 1.643713797772826
Energy: 1.4680676567824433
Energy: 1.347024280782089
Energy: 1.4669250575238353
Energy: 1.3470242807807995
Energy: 1.466925057524695
Energy: 1.3470242807769308
Energy: 1.4669250575212565
Energy: 1.6456178632051384
Energy: 1.5959833383691533
Energy: 1.6456178632051384
Energy: 1.5959833353754895
Energy: 1.645617863199121
Energy: 1.5959833347250532
Energy: 1.5410386313411937
Energy: 1.524076894738518
Energy: 1.541038631342483
Energy: 1.5240768947372285
Energy: 1.5410386313463516
Energy: 1.524076894738948
Energy: 1.479774928394698
Energy: 1.3304070540083657
Energy: 1.4797749302141687
Energy: 1.3304070540083657
Energy: 1.4797749000464062
Energy: 1.3304070540083657
Energy: 1.6944446996901588
Energy: 1.6607432978854475
Energy: 1.694444698114279
Energy: 1.6607432978811494
Energy: 1.694444693323495
Energy: 1.6607432978820087
Energy: 1.2674924963825065
Energy: 1.6675603530080216
Energy: 1.267492496383366
Energy: 1.6675601830476465
Energy: 1.2674924963820768
Energy: 1.6675597444962802
Energy: 1.344836291834867
Energy: 1.3515948081998062
Energy: 1.3448362918340073
Energy: 1.3515948081993763
Energy: 1.344836291832718
Energy: 1.3515948081993763
Energy: 1.3194041451794558
Energy: 1.25219110671333
Energy: 1.3194023817748066
Energy: 1.2792813639433973
Energy: 1.3194041451803156
Energy: 1.27361002815474
Energy: 1.6803616489465718
Energy: 1.3231762039019765
Energy: 1.6803616462201396
Energy: 1.323176203898538
Energy: 1.6803616438537408
Energy: 1.323176203898538
Energy: 1.3488109285907055
Energy: 1.4176975527493838
Energy: 1.3488106507124173
Energy: 1.4176975527446558
Energy: 1.348810928587267
Energy: 1.4176975527450855
Energy: 1.7081525775604143
Energy: 1.3373953008922161
Energy: 1.708152577563423
Energy: 1.3373953008926458
Energy: 1.7081525775574056
Energy: 1.3373953008926458
Energy: 1.6557991967229766
Energy: 1.6957383605101568
Energy: 1.6557991967157086
Energy: 1.6957383605062883
Energy: 1.6557991967157086
Energy: 1.6957383604839769
Energy: 1.5636260393115655
Energy: 1.467657921718138
Energy: 1.5636260393072674
Energy: 1.4676579217168486
Energy: 1.5636260393115655
Energy: 1.467657921718138
Energy: 1.347505878087038
Energy: 1.4672420690096017
Energy: 1.3475058780844589
Energy: 1.4672420690100316
Energy: 1.3475058780848888
Energy: 1.4672420690053036
Energy: 1.6436108238514315
Energy: 1.5959559488608837
Energy: 1.6436111197235086
Energy: 1.5959559488600241
Energy: 1.6436106134267772
Energy: 1.5959559488849535
Energy: 1.5396165559056096
Energy: 1.3349404374600204
Energy: 1.5396165559099082
Energy: 1.3349404374638887
Energy: 1.539616555900022
Energy: 1.3349404374664675
Energy: 1.4836120079441595
Energy: 1.5127509267955639
Energy: 1.4836120079432997
Energy: 1.5127509267848187
Energy: 1.4836120079463084
Energy: 1.5127509267865378
Energy: 1.6979012554977706
Energy: 1.6582341430581156
Energy: 1.697901255503788
Energy: 1.6582341430589755
Energy: 1.6979012555063673
Energy: 1.6582341430589755
Energy: 1.266783800316281
Energy: 1.7718456923090586
Energy: 1.2667838003102634
Energy: 1.7718456923137866
Energy: 1.2667838003137022
Energy: 1.771845692310348
Energy: 1.5004231280075702
Energy: 1.3515716354709484
Energy: 1.5004231280041314
Energy: 1.351571635468799
Energy: 1.5004231280054208
Energy: 1.3515716354683693
Energy: 1.3196984064311843
Energy: 1.3054753389890903
Energy: 1.319700519266489
Energy: 1.2694046446865035
Energy: 1.3196984064303248
Energy: 1.258878225549886
Energy: 1.6777710494274387
Energy: 1.5395977407476407
Energy: 1.6777710494278684
Energy: 1.539597740751939
Energy: 1.6777710494252895
Energy: 1.5395977407506494
Energy: 1.346972544893926
Energy: 1.5029489142198043
Energy: 1.3470067058020947
Energy: 1.5029489140853485
Energy: 1.3469725448922067
Energy: 1.5029489137549723
Energy: 1.739875043555436
Energy: 1.6994876039189064
Energy: 1.6549212986194781
Energy: 1.6994876039214852
Energy: 1.7398750435614536
Energy: 1.6994876039171871
Energy: 1.7399900049190204
Energy: 1.6834840861754974
Energy: 1.6550521115294476
Energy: 1.6834840861660412
Energy: 1.7399900049181607
Energy: 1.68348408616905
Energy: 1.3469278243126637
Energy: 1.5006756690551732
Energy: 1.346927824316102
Energy: 1.5006756690547434
Energy: 1.3469278243130933
Energy: 1.5006756690590417
Energy: 1.2765047203056314
Energy: 1.4684836487022783
Energy: 1.2401916783444458
Energy: 1.4684836487031379
Energy: 1.2667901300518944
Energy: 1.4684836487022783
Energy: 1.3197237772958095
Energy: 1.6863673729163924
Energy: 1.3197237772962394
Energy: 1.6861064128224785
Energy: 1.3197237772919412
Energy: 1.6860959229264352
Energy: 1.5396819003806717
Energy: 1.3334179771077184
Energy: 1.5396818998126827
Energy: 1.3334179771034205
Energy: 1.5396818989822296
Energy: 1.33341797710428
Energy: 1.336503609460449
Energy: 1.709961366754075
Energy: 1.3365036094600193
Energy: 1.7099613667570834
Energy: 1.3365036094634577
Energy: 1.7099613667566536
Energy: 1.697575012861262
Energy: 1.658233713693937
Energy: 1.6975750128573934
Energy: 1.6582337136926475
Energy: 1.697575012856104
Energy: 1.6582337136930774
Energy: 1.4709702743329742
Energy: 1.5634056408837924
Energy: 1.470970274330825
Energy: 1.5634056408868011
Energy: 1.4709702743278161
Energy: 1.5634056408807835
Energy: 1.4670336330891305
Energy: 1.3471865480990393
Energy: 1.4670336330942884
Energy: 1.3471865481033372
Energy: 1.4670336330938585
Energy: 1.3471865481024778
Energy: 1.5944011414226267
Energy: 1.644104480647108
Energy: 1.594401140427591
Energy: 1.6441044804352845
Energy: 1.5944011681821049
Energy: 1.6441044782553496
Energy: 1.3473901056411361
Energy: 1.5401613341986555
Energy: 1.347405964559575
Energy: 1.5401613341982259
Energy: 1.3473901056381274
Energy: 1.5401613341995153
Energy: 1.5128144846628755
Energy: 1.4800518067677428
Energy: 1.5128144846602964
Energy: 1.480051806762155
Energy: 1.5128144846585774
Energy: 1.4800518067617254
Energy: 1.655888242033796
Energy: 1.6959917014439454
Energy: 1.6558882420325065
Energy: 1.6959917014396473
Energy: 1.6558882420282084
Energy: 1.695991701435349
Energy: 1.6854651065774278
Energy: 1.2671893535584713
Energy: 1.6854640987816651
Energy: 1.2671893535524539
Energy: 1.685461557769699
Energy: 1.2671893535524539
Energy: 1.3488210675012753
Energy: 1.3459957662808146
Energy: 1.3488210675021348
Energy: 1.3459957662838233
Energy: 1.3488210675051437
Energy: 1.3459957662829638

minimum gb energy = 1.2401916783444458 eV
minimum distance =  2.36929522349555 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.5707899330772181
Energy: 1.5779803266944978
Energy: 1.5707899330772181
Energy: 1.5779803266925063
Energy: 1.5707899330762223
Energy: 1.5779803266905146
Energy: 1.6468717358363423
Energy: 1.4140769639198447
Energy: 1.646871735829371
Energy: 1.4140769639228323
Energy: 1.6468717358323588
Energy: 1.4140769639218362
Energy: 1.5182034555108768
Energy: 1.526844312464939
Energy: 1.5182034555068933
Energy: 1.526844312463943
Energy: 1.5182034555078892
Energy: 1.5268443124331157
Energy: 1.5531315008941693
Energy: 1.3050035922190166
Energy: 1.553131500897157
Energy: 1.3050035922190166
Energy: 1.5531315008951654
Energy: 1.3050035922190166
Energy: 1.5575647075516892
Energy: 1.5331131700983163
Energy: 1.5575647075506933
Energy: 1.5331131700963243
Energy: 1.557564707552685
Energy: 1.5331131700943326
Energy: 1.573503863456122
Energy: 1.5331570012974431
Energy: 1.5735038634571183
Energy: 1.5331570012984392
Energy: 1.5735038634551262
Energy: 1.533157001299435
Energy: 1.425025670347505
Energy: 1.533204583316624
Energy: 1.425025670348501
Energy: 1.5332045833126404
Energy: 1.425025670348501
Energy: 1.5332045833186159
Energy: 1.4251515269359847
Energy: 1.5336871354011168
Energy: 1.425151526931005
Energy: 1.5336871354021124
Energy: 1.425151526932001
Energy: 1.533687135407092
Energy: 1.7426826503298538
Energy: 1.3007739445300677
Energy: 1.7426826503298538
Energy: 1.3007739445300677
Energy: 1.7426826503318458
Energy: 1.3007739445300677
Energy: 1.327593962572556
Energy: 1.7159334621525602
Energy: 1.327593962572556
Energy: 1.7159334621495723
Energy: 1.327593962572556
Energy: 1.7159334621555475
Energy: 1.5803084238965983
Energy: 1.3130986669624813
Energy: 1.5802936944341461
Energy: 1.3130986669624813
Energy: 1.58024263660507
Energy: 1.3130986669624813
Energy: 1.5713487695782549
Energy: 1.5786683684214935
Energy: 1.5713487695802468
Energy: 1.5786683684214935
Energy: 1.5713487695792507
Energy: 1.5786683684224896
Energy: 1.6455184885002418
Energy: 1.4152117348256117
Energy: 1.6455184615196683
Energy: 1.4152117348266076
Energy: 1.6455182780757789
Energy: 1.4152117348266076
Energy: 1.5179487651693786
Energy: 1.4464538304386498
Energy: 1.5179487651673869
Energy: 1.4464538304306829
Energy: 1.517948765175354
Energy: 1.4464538304197279
Energy: 1.5499796211710068
Energy: 1.5626388875807458
Energy: 1.5499796211710068
Energy: 1.5626388875807458
Energy: 1.5499796211700112
Energy: 1.5626388875827375
Energy: 1.5565415581604254
Energy: 1.5333320014710141
Energy: 1.5565415581614213
Energy: 1.5333320014710141
Energy: 1.5565415581604254
Energy: 1.5333320014670302
Energy: 1.5575804904126853
Energy: 1.6677021732666757
Energy: 1.5575804904126853
Energy: 1.6677021732696637
Energy: 1.5575804904166688
Energy: 1.6677021732706594
Energy: 1.5155859901276791
Energy: 1.5358482614961602
Energy: 1.5155859901266833
Energy: 1.5358482614961602
Energy: 1.5155859901236954
Energy: 1.5358482614961602

minimum gb energy = 1.3007739445300677 eV
minimum distance =  2.23957241235736 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.271012576608993
Energy: 1.2844967387481692
Energy: 1.2710125766095837
Energy: 1.284496738748733
Energy: 1.271012576608993
Energy: 1.2844967387481692
Energy: 1.3995317646317422
Energy: 1.5707624518704835
Energy: 1.3995317646329237
Energy: 1.5707624518698926
Energy: 1.3995317646335146
Energy: 1.570762451871665
Energy: 1.2218622221481072
Energy: 1.5686200776247705
Energy: 1.2218622221481072
Energy: 1.5686200776218169
Energy: 1.2218622221481072
Energy: 1.568620077625952
Energy: 1.3251876438857952
Energy: 1.2222952595166994
Energy: 1.3251876438822507
Energy: 1.2222952595172902
Energy: 1.3251876438857952
Energy: 1.2222952595172902
Energy: 1.2582865777681143
Energy: 1.2666234544998858
Energy: 1.2582865777681143
Energy: 1.266623454499295
Energy: 1.2582865777681143
Energy: 1.2666234544998858
Energy: 1.2582559818911352
Energy: 1.2665105968238246
Energy: 1.2582559818917258
Energy: 1.266510596822643
Energy: 1.2582559818911352
Energy: 1.2665105968238246
Energy: 1.3252478360341222
Energy: 1.2222800796444888
Energy: 1.3252478360341222
Energy: 1.22228007964567
Energy: 1.3252478360329407
Energy: 1.2222800796450792
Energy: 1.221860269422191
Energy: 1.5686109250438238
Energy: 1.2218602694233727
Energy: 1.5686109250373255
Energy: 1.2218602694233727
Energy: 1.5686109250402793
Energy: 1.3996182738161573
Energy: 1.5708163579593335
Energy: 1.3996182738161573
Energy: 1.5708163579599244
Energy: 1.3996182738167482
Energy: 1.5708163579593335
Energy: 1.271012576608993
Energy: 1.2844967387475783
Energy: 1.2710125766084022
Energy: 1.2844967387475783
Energy: 1.2710125766095837
Energy: 1.2844967387475783
Energy: 1.399531764632333
Energy: 1.570762451871665
Energy: 1.3995317646317422
Energy: 1.570762451871665
Energy: 1.3995317646329237
Energy: 1.570762451871665
Energy: 1.2218622221481072
Energy: 1.5686200776253614
Energy: 1.2218622221481072
Energy: 1.5686200776265429
Energy: 1.2218622221481072
Energy: 1.568620077625952
Energy: 1.3251876438893397
Energy: 1.2222952595166994
Energy: 1.3251876438857952
Energy: 1.2222952595166994
Energy: 1.3251876438828416
Energy: 1.2222952595161085
Energy: 1.2582865777675236
Energy: 1.2666234544969321
Energy: 1.2582865777669328
Energy: 1.2666234544969321
Energy: 1.2582865777669328
Energy: 1.2666234544981136
Energy: 1.2582559818911352
Energy: 1.2665105968220522
Energy: 1.2582559818923167
Energy: 1.2665105968232337
Energy: 1.2582559818911352
Energy: 1.266510596822643
Energy: 1.3252478360329407
Energy: 1.2222800796444888
Energy: 1.3252478360341222
Energy: 1.2222800796444888
Energy: 1.3252478360329407
Energy: 1.2222800796444888
Energy: 1.2218602694227818
Energy: 1.568610925042642
Energy: 1.221860269422191
Energy: 1.568610925037916
Energy: 1.2218602694227818
Energy: 1.568610925038507
Energy: 1.3996182738161573
Energy: 1.5708163579599244
Energy: 1.3996182738161573
Energy: 1.5708163579599244
Energy: 1.3996182738173388
Energy: 1.5708163579599244
Energy: 1.2710125766084022
Energy: 1.2844967387475783
Energy: 1.271012576608993
Energy: 1.2844967387475783
Energy: 1.2710125766095837
Energy: 1.2844967387475783
Energy: 1.3995317646329237
Energy: 1.570762451871074
Energy: 1.3995317646317422
Energy: 1.570762451871074
Energy: 1.3995317646311516
Energy: 1.5707624518722554
Energy: 1.2218622221486977
Energy: 1.5686200776247705
Energy: 1.2218622221492885
Energy: 1.5686200776224077
Energy: 1.2218622221492885
Energy: 1.56862007762418
Energy: 1.3251876438828416
Energy: 1.2222952595166994
Energy: 1.325187643884614
Energy: 1.2222952595161085
Energy: 1.3251876438857952
Energy: 1.2222952595166994
Energy: 1.2582865777669328
Energy: 1.2666234545004764
Energy: 1.2582865777669328
Energy: 1.266623454501067
Energy: 1.2582865777675236
Energy: 1.2666234544998858
Energy: 1.2582559818917258
Energy: 1.2665105968214616
Energy: 1.2582559818917258
Energy: 1.2665105968232337
Energy: 1.2582559818917258
Energy: 1.2665105968214616
Energy: 1.3252478360341222
Energy: 1.2222800796444888
Energy: 1.3252478360329407
Energy: 1.222280079643898
Energy: 1.3252478360323499
Energy: 1.2222800796450792
Energy: 1.2218602694227818
Energy: 1.5686109250438238
Energy: 1.2218602694227818
Energy: 1.568610925038507
Energy: 1.2218602694233727
Energy: 1.5686109250373255
Energy: 1.3996182738167482
Energy: 1.5708163579599244
Energy: 1.3996182738155665
Energy: 1.5708163579599244
Energy: 1.3996182738173388
Energy: 1.5708163579593335
Energy: 1.2710125766095837
Energy: 1.2844967387475783
Energy: 1.2710125766095837
Energy: 1.2844967387475783
Energy: 1.2710125766095837
Energy: 1.2844967387475783
Energy: 1.3995317646311516
Energy: 1.570762451871074
Energy: 1.3995317646329237
Energy: 1.570762451871074
Energy: 1.399531764632333
Energy: 1.570762451871074
Energy: 1.2218622221486977
Energy: 1.5686200776265429
Energy: 1.2218622221481072
Energy: 1.5686200776235892
Energy: 1.2218622221475164
Energy: 1.5686200776253614

minimum gb energy = 1.221860269422191 eV
minimum distance =  2.2680445028865 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.2103074380601486
Energy: 1.1930706646161804
Energy: 1.2103074380587013
Energy: 1.1930706646161804
Energy: 1.2103074380615955
Energy: 1.1930706646161804
Energy: 1.3962910825160688
Energy: 1.229572210936839
Energy: 1.3962910825175159
Energy: 1.2295722109382856
Energy: 1.396291082518963
Energy: 1.229572210939733
Energy: 1.238497058687507
Energy: 1.3426068681639294
Energy: 1.2384970586860602
Energy: 1.3426068681653762
Energy: 1.2384970586846131
Energy: 1.3426068681653762
Energy: 1.3384635301262882
Energy: 1.1622807391618801
Energy: 1.3384635301248409
Energy: 1.1622807391618801
Energy: 1.3384635301335228
Energy: 1.1622807391618801
Energy: 1.491057236266303
Energy: 1.1623217954787755
Energy: 1.49105723626775
Energy: 1.1623217954802223
Energy: 1.491057236269197
Energy: 1.1623217954802223
Energy: 1.4380934471287403
Energy: 1.4825607237366958
Energy: 1.4380934471272933
Energy: 1.4825607237410365
Energy: 1.4380934471258462
Energy: 1.4825607237410365
Energy: 1.352135000166569
Energy: 1.2337016158519307
Energy: 1.3521350001680161
Energy: 1.2337016158519307
Energy: 1.352135000166569
Energy: 1.2337016158519307
Energy: 1.2096369309459978
Energy: 1.193184654467375
Energy: 1.2096369309503388
Energy: 1.1931846544644809
Energy: 1.2096369309474448
Energy: 1.193184654465928
Energy: 1.366641015412987
Energy: 1.238268806456513
Energy: 1.3666405013236274
Energy: 1.238268806463748
Energy: 1.3666393472546234
Energy: 1.238268806443523
Energy: 1.3239830935229464
Energy: 1.432850588636439
Energy: 1.3239830935229464
Energy: 1.4328505886407799
Energy: 1.3239830935229464
Energy: 1.4328505886422271
Energy: 1.2254331510531074
Energy: 1.1645683013332202
Energy: 1.2254331510545544
Energy: 1.1645683013332202
Energy: 1.2254331510531074
Energy: 1.1645683013332202
Energy: 1.4396764854965745
Energy: 1.3677549120707835
Energy: 1.4396765205474438
Energy: 1.3677549120751245
Energy: 1.4396761396062216
Energy: 1.3677549120736774

minimum gb energy = 1.1622807391618801 eV
minimum distance =  2.24137363501797 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.252257586086027
Energy: 1.1049220969022306
Energy: 1.2522575860852136
Energy: 1.1049220969022306
Energy: 1.2522575860856204
Energy: 1.1049220969022306
Energy: 1.142851167471146
Energy: 1.1006937009257816
Energy: 1.1428511674768376
Energy: 1.1006937009265945
Energy: 1.1428511674666735
Energy: 1.1006937009265945
Energy: 1.0576086718607418
Energy: 1.166283375457719
Energy: 1.0576086718607418
Energy: 1.1662833754552797
Energy: 1.0576086718607418
Energy: 1.1662833754548734
Energy: 1.089922924073582
Energy: 1.0425008068358184
Energy: 1.089922924071549
Energy: 1.0425008068358184
Energy: 1.0899229240719557
Energy: 1.0425008068345987
Energy: 1.1352836260834875
Energy: 1.1052980630966878
Energy: 1.1352836260814545
Energy: 1.1052980630966878
Energy: 1.1352836260814545
Energy: 1.1052980630962812
Energy: 1.1925462517700485
Energy: 1.1693217848895192
Energy: 1.192546251770455
Energy: 1.1693217848834574
Energy: 1.1925462517566316
Energy: 1.1693217848972441
Energy: 1.133995182571173
Energy: 1.1824251518833229
Energy: 1.133995182558606
Energy: 1.1824251518825095
Energy: 1.1339951825573864
Energy: 1.182425151878444
Energy: 1.0289039758684373
Energy: 1.1411351386232937
Energy: 1.0289039758676244
Energy: 1.1411351386237003
Energy: 1.0289039758680307
Energy: 1.1411351386237003
Energy: 1.148231869192913
Energy: 1.105962868158951
Energy: 1.148231869211615
Energy: 1.1059628681585447
Energy: 1.148231869182342
Energy: 1.1059628681585447
Energy: 1.1287640724569825
Energy: 1.108388058603978
Energy: 1.128764072456576
Energy: 1.108388058618984
Energy: 1.1287640724553563
Energy: 1.1083880586128858
Energy: 1.0858925496976428
Energy: 1.0501906210741
Energy: 1.085892549694797
Energy: 1.050190621074507
Energy: 1.0858925496935772
Energy: 1.0501906210741
Energy: 1.0832009812936652
Energy: 1.1574835578218718
Energy: 1.083200981292852
Energy: 1.1574835578194325
Energy: 1.083200981292852
Energy: 1.157483557836915
Energy: 1.157432108774036
Energy: 1.1603278398077637
Energy: 1.157432108765498
Energy: 1.160327839807357
Energy: 1.157432108700484
Energy: 1.1603278398024781
Energy: 1.2442060175894434
Energy: 1.166230327136287
Energy: 1.2442060175772462
Energy: 1.166230327135474
Energy: 1.2442060175602074
Energy: 1.166230327136287
Energy: 1.0600254828419493
Energy: 1.1281028269359448
Energy: 1.0600254828419493
Energy: 1.1281028269339122
Energy: 1.0600254828419493
Energy: 1.1281028269326923
Energy: 1.0658373876003027
Energy: 1.2312745435436285
Energy: 1.0658373875954237
Energy: 1.2312745435436285
Energy: 1.0658373876011156
Energy: 1.2312745435289918
Energy: 1.056708217799855
Energy: 1.043412086133735
Energy: 1.056955475203103
Energy: 1.0434120861284495
Energy: 1.0568925793180421
Energy: 1.04341208612723
Energy: 1.0738561951980128
Energy: 1.1173210086152918
Energy: 1.0738561951996393
Energy: 1.1173210086148853
Energy: 1.0738561952004522
Energy: 1.1173210086144787
Energy: 1.0233642522705573
Energy: 1.2991728037744155
Energy: 1.0233642522754363
Energy: 1.299172876248677
Energy: 1.0233642522721835
Energy: 1.2991728192809913
Energy: 1.24962762869205
Energy: 1.1042719465569746
Energy: 1.2496276286932695
Energy: 1.180389911977183
Energy: 1.2496276286924566
Energy: 1.1000349874365616
Energy: 1.0233355606823233
Energy: 1.2992386668761635
Energy: 1.0233355606737853
Energy: 1.29923859966421
Energy: 1.0233355606754115
Energy: 1.2992383929087477
Energy: 1.0737650341929883
Energy: 1.1171559195462097
Energy: 1.0737650341938012
Energy: 1.1171559195474294
Energy: 1.073765034192175
Energy: 1.117155919547023
Energy: 1.0567230933532075
Energy: 1.0432167608602674
Energy: 1.0567899380637316
Energy: 1.0432167608582348
Energy: 1.056770537038673
Energy: 1.0432167608606742
Energy: 1.065848623088195
Energy: 1.1355955775485853
Energy: 1.065848623095513
Energy: 1.1355955775380144
Energy: 1.065848623098359
Energy: 1.135595577523378
Energy: 1.0647346173562435
Energy: 1.1279625141519118
Energy: 1.0647346173550238
Energy: 1.1279625141437806
Energy: 1.064734617354211
Energy: 1.1279625141429674
Energy: 1.2441987643485013
Energy: 1.1661427387804122
Energy: 1.2441987643537868
Energy: 1.1661427387808188
Energy: 1.244198764361918
Energy: 1.1661427387816319
Energy: 1.157497238753838
Energy: 1.1605939484582941
Energy: 1.1574972387013907
Energy: 1.16059394846114
Energy: 1.1574972385534732
Energy: 1.1605939484627665
Energy: 1.0848359177019768
Energy: 1.0585149055442036
Energy: 1.0848359176999438
Energy: 1.0585149055405445
Energy: 1.0848359177007572
Energy: 1.0585149055446101
Energy: 1.085908836864867
Energy: 1.0498545603952203
Energy: 1.0859088368644603
Energy: 1.0498545603944072
Energy: 1.085908836867676
Energy: 1.0498545603948135
Energy: 1.1288074522921165
Energy: 1.0133953663907762
Energy: 1.1288074522908969
Energy: 1.0133953663793924
Energy: 1.1288074522921165
Energy: 1.01339536637492
Energy: 1.1483518026702573
Energy: 1.105886756770789
Energy: 1.148351802662939
Energy: 1.105886756770789
Energy: 1.1483518026682242
Energy: 1.1058867567720085
Energy: 1.0289078453732243
Energy: 1.1411659934279057
Energy: 1.0289078453724112
Energy: 1.1411659934270926
Energy: 1.0289078453736311
Energy: 1.141165993427499
Energy: 1.134122249354225
Energy: 1.1816715982807857
Energy: 1.1341222493619498
Energy: 1.1816715982759067
Energy: 1.1341222493473133
Energy: 1.1816715982734673
Energy: 1.1927038113187947
Energy: 1.078230521735946
Energy: 1.1927038113139157
Energy: 1.078230521735946
Energy: 1.1927038113167616
Energy: 1.0782305217351327
Energy: 1.1354748240277577
Energy: 1.1052788337841675
Energy: 1.1354748240326364
Energy: 1.1052788337853872
Energy: 1.1354748240285706
Energy: 1.1052788337837607
Energy: 1.0898845056176096
Energy: 1.042436512057349
Energy: 1.0898845056163897
Energy: 1.0424365120561294
Energy: 1.089884505618016
Energy: 1.0424365120589756
Energy: 1.0575937546776635
Energy: 1.1659833186218567
Energy: 1.057593754677257
Energy: 1.165983318624296
Energy: 1.0575937546784766
Energy: 1.165983318620637
Energy: 1.142630127551468
Energy: 1.1456454875883009
Energy: 1.142630127573423
Energy: 1.1456454871827286
Energy: 1.142630127578302
Energy: 1.1456454870490043
Energy: 1.252257586087653
Energy: 1.1049220969022306
Energy: 1.2522575860868401
Energy: 1.1049220969022306
Energy: 1.2522575860864336
Energy: 1.1049220969026374
Energy: 1.1428511674752115
Energy: 1.1006937009192763
Energy: 1.1428511674678932
Energy: 1.1006937009200894
Energy: 1.142851167472772
Energy: 1.100693700919683
Energy: 1.057608671861555
Energy: 1.1662833754544666
Energy: 1.0576086718611484
Energy: 1.1662833754548734
Energy: 1.0576086718607418
Energy: 1.166283375456093
Energy: 1.0899229240747648
Energy: 1.0425008068411037
Energy: 1.0899229240755777
Energy: 1.0425008068419168
Energy: 1.0899229240747648
Energy: 1.0425008068415105
Energy: 1.1352836260879597
Energy: 1.10529806310116
Energy: 1.1352836260871466
Energy: 1.10529806310116
Energy: 1.1352836260875532
Energy: 1.1052980631007534

minimum gb energy = 1.01339536637492 eV
minimum distance =  2.35027222557679 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.131323080394936
Energy: 0.9433688680504065
Energy: 1.131323080394936
Energy: 0.9433688680504065
Energy: 1.131323080394936
Energy: 0.9433688680504065
Energy: 0.6837414055857804
Energy: 0.9644577030553964
Energy: 0.6837414055867059
Energy: 0.9644577030553964
Energy: 0.6837414055857804
Energy: 0.9644577030553964
Energy: 1.0043696024213455
Energy: 0.9467085464539408
Energy: 1.0043696024213455
Energy: 0.9467085464530153
Energy: 1.00436960242042
Energy: 0.9467085464539408
Energy: 0.6225994089340993
Energy: 0.5843334725168204
Energy: 0.6225994089359503
Energy: 0.5843334725177461
Energy: 0.6225994089340993
Energy: 0.5843334725168204
Energy: 0.6609293875407708
Energy: 0.6846233391297583
Energy: 0.6609293875407708
Energy: 0.6846233391306839
Energy: 0.6609293875407708
Energy: 0.6846233391306839
Energy: 0.5843178172560725
Energy: 0.9899114787782207
Energy: 0.584317817255147
Energy: 0.9899114787782207
Energy: 0.584317817255147
Energy: 0.9899114787772952
Energy: 0.5844368515638855
Energy: 0.9383776587810125
Energy: 0.5844368515638855
Energy: 0.9383776587828635
Energy: 0.5844368515638855
Energy: 0.9383776587837469
Energy: 0.6842959261701298
Energy: 0.6626423149821803
Energy: 0.6842959261692044
Energy: 0.6626423149821803
Energy: 0.6842959261692044
Energy: 0.6626423149821803
Energy: 0.6227453705296677
Energy: 0.5843418825872708
Energy: 0.6227453705296677
Energy: 0.5843418825881963
Energy: 0.6227453705296677
Energy: 0.5843418825872708
Energy: 0.8946255996589858
Energy: 1.0223823903635318
Energy: 0.8946255996599113
Energy: 1.0223823903626061
Energy: 0.8946255996589858
Energy: 1.0223823903635318
Energy: 0.6609355290639735
Energy: 0.9636157541320317
Energy: 0.6609355290648989
Energy: 0.9636157541320317
Energy: 0.6609355290639735
Energy: 0.9636157541320317
Energy: 1.131323080398638
Energy: 0.9433688680467045
Energy: 1.1313230803977126
Energy: 0.9433688680467045
Energy: 1.1313230803977126
Energy: 0.9433688680467045
Energy: 0.6837414055857804
Energy: 0.9644577030479924
Energy: 0.6837414055839294
Energy: 0.9644577030479924
Energy: 0.683741405584855
Energy: 0.9644577030479924
Energy: 1.0043696024176434
Energy: 0.9467085464567173
Energy: 1.0043696024176434
Energy: 0.9467085464557916
Energy: 1.0043696024185689
Energy: 0.9467085464567173
Energy: 0.6225994089322483
Energy: 0.5843334725168204
Energy: 0.6225994089331739
Energy: 0.5843334725168204
Energy: 0.6225994089313228
Energy: 0.5843334725168204
Energy: 0.6609293875453983
Energy: 0.6846233391279074
Energy: 0.6609293875444728
Energy: 0.6846233391279074
Energy: 0.6609293875435474
Energy: 0.6846233391279074
Energy: 0.584317817253296
Energy: 0.9899114787754442
Energy: 0.5843178172523705
Energy: 0.9899114787754442
Energy: 0.5843178172523705
Energy: 0.9899114787754442
Energy: 0.5844368515611089
Energy: 0.9383776587810125
Energy: 0.5844368515611089
Energy: 0.9383776587837469
Energy: 0.5844368515601835
Energy: 0.9383776587837469
Energy: 0.6842959261692044
Energy: 0.6626423149794038
Energy: 0.6842959261692044
Energy: 0.6626423149784784
Energy: 0.6842959261692044
Energy: 0.6626423149794038

minimum gb energy = 0.5843178172523705 eV
minimum distance =  2.42407586269662 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.910101170450278
Energy: 1.1990645717270307
Energy: 0.910101170450278
Energy: 1.1990645717270307
Energy: 0.9101011704489221
Energy: 1.1990645717263528
Energy: 1.0181893957335582
Energy: 1.0011735025839428
Energy: 1.018189395734236
Energy: 1.0011735025832649
Energy: 1.018189395734236
Energy: 1.0011735025832649
Energy: 1.0177845888431167
Energy: 1.2978529869519484
Energy: 1.017784588841083
Energy: 1.297852986955338
Energy: 1.0177845888424388
Energy: 1.2978529869512705
Energy: 1.252545423434615
Energy: 0.8608446788465517
Energy: 1.252545423433259
Energy: 0.8608446788472297
Energy: 1.2525454234312252
Energy: 0.8608446788465517
Energy: 1.1817566652110738
Energy: 0.8351311808538675
Energy: 1.1817566652124296
Energy: 0.8351311808538675
Energy: 1.1817566652117517
Energy: 0.8351311808531895
Energy: 0.8766244472283813
Energy: 0.8493602054521532
Energy: 0.8766244472263475
Energy: 0.849360205454187
Energy: 0.8766244472263475
Energy: 0.849360205454187
Energy: 0.8330428124148462
Energy: 0.8879335913472205
Energy: 0.8330428124134904
Energy: 0.8879335913472205
Energy: 0.8330428124141683
Energy: 0.8879335913492543
Energy: 1.0372940383774372
Energy: 0.8026281964415357
Energy: 1.037294038380149
Energy: 0.8026281964422136
Energy: 1.037294038379471
Energy: 0.8026281964415357
Energy: 1.0404660469212108
Energy: 0.8080682242892169
Energy: 1.0404660469225666
Energy: 0.8080682242912507
Energy: 1.0404660469218887
Energy: 0.8080682242912507
Energy: 0.812783395730392
Energy: 1.2394114202205533
Energy: 0.812783395730392
Energy: 1.2394114202069941
Energy: 0.8127833957297141
Energy: 1.2394114202212312
Energy: 0.8883680841543917
Energy: 1.1614479724095095
Energy: 0.8883680841496461
Energy: 1.1614479724061197
Energy: 0.8883680841550696
Energy: 1.1614479724067976
Energy: 1.0176838260702457
Energy: 0.8329185863204592
Energy: 1.0176838260702457
Energy: 0.8329185863218151
Energy: 1.0176838260749912
Energy: 0.8329185863218151
Energy: 1.2162022282938052
Energy: 0.867433008288965
Energy: 1.2162022282931273
Energy: 0.8674330082896429
Energy: 1.2162022282917715
Energy: 0.8674330082896429
Energy: 1.2251630512154355
Energy: 1.2738232172956736
Energy: 1.2251630512134015
Energy: 1.2738232172902502
Energy: 1.2251630512134015
Energy: 1.2738232172997415
Energy: 1.0175664052953781
Energy: 1.000038676199226
Energy: 1.017566403753049
Energy: 1.000038676199226
Energy: 1.0175664032556209
Energy: 1.000038676199226
Energy: 0.8732672921462796
Energy: 1.2062848659000658
Energy: 0.8732672921476354
Energy: 1.2062848658993879
Energy: 0.8732672921469575
Energy: 1.206284865900744
Energy: 0.9702990130306679
Energy: 1.004299695388458
Energy: 0.9702990130313458
Energy: 1.004299695388458
Energy: 0.9702990130313458
Energy: 1.004299695389136
Energy: 1.250878142595148
Energy: 0.9263352819474409
Energy: 1.2508781425965039
Energy: 0.9263352819467628
Energy: 1.2508781425965039
Energy: 0.9263352819528644
Energy: 1.08008327609781
Energy: 0.8552177029727066
Energy: 1.0800832760896746
Energy: 0.8552177029720287
Energy: 1.0800832760971322
Energy: 0.8552177029727066
Energy: 1.181477036853378
Energy: 0.8666208059010378
Energy: 1.1814770368540561
Energy: 0.8666208059010378
Energy: 1.181477036854734
Energy: 0.8666208059010378
Energy: 0.8159355377521014
Energy: 0.8641539107223464
Energy: 0.8159355377534572
Energy: 0.8641539107196347
Energy: 0.8159355377527793
Energy: 0.8641539107284478
Energy: 0.8568012057260591
Energy: 0.8880712398563192
Energy: 0.8568012057247033
Energy: 0.8880712398576751
Energy: 0.8568012057260591
Energy: 0.8880712398603869
Energy: 1.0257728103517663
Energy: 1.0303238116923126
Energy: 1.0257728103517663
Energy: 1.0303238116923126
Energy: 1.0257728103510881
Energy: 1.0303238116929905
Energy: 1.0417245164168485
Energy: 1.0092195842892562
Energy: 1.0417245164175266
Energy: 1.0092195842885783
Energy: 1.0417245164168485
Energy: 1.0092195842892562
Energy: 0.8159258451481832
Energy: 1.2399466898954206
Energy: 0.8159258451475053
Energy: 1.2399466903236982
Energy: 0.8159258451475053
Energy: 1.2399466904470229
Energy: 1.648341584827806
Energy: 1.1446907537911473
Energy: 1.64834158482645
Energy: 1.1446907537931197
Energy: 1.64834158482306
Energy: 1.1446907537918254

minimum gb energy = 0.8026281964415357 eV
minimum distance =  2.29784278904076 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.0254355426108304
Energy: 0.9291989755408616
Energy: 1.0254355426113646
Energy: 0.9291989755403272
Energy: 1.0254355426108304
Energy: 0.9291989755408616
Energy: 0.9637758615829352
Energy: 0.9115166981443177
Energy: 0.9637758615834694
Energy: 0.9115166981443177
Energy: 0.9637758615829352
Energy: 0.9115166981448519
Energy: 1.1504210798616044
Energy: 1.040727695191373
Energy: 1.1504210798610701
Energy: 1.0407276951903046
Energy: 1.1504210798632075
Energy: 1.0407276951887015
Energy: 0.9511685151376111
Energy: 0.8959919836521564
Energy: 0.9511685151349393
Energy: 0.8959919836532251
Energy: 0.951168515136008
Energy: 0.8959919836526906
Energy: 0.9014284712243287
Energy: 0.961674859631878
Energy: 0.9014284712243287
Energy: 0.9616748596313437
Energy: 0.9014284712248631
Energy: 0.961674859631878
Energy: 0.94677881257853
Energy: 0.9240217828737401
Energy: 0.9467788125806672
Energy: 0.9240217828737401
Energy: 0.9467788125801331
Energy: 0.9240217828769463
Energy: 0.8985685645352953
Energy: 0.9628868676737252
Energy: 0.8985685645352953
Energy: 0.9628718813970503
Energy: 0.8985685645347852
Energy: 0.9628344485052586
Energy: 0.8674182195521141
Energy: 0.8960201518876285
Energy: 0.8674182195521141
Energy: 0.89602015188656
Energy: 0.8674182195521141
Energy: 0.8960201518870943
Energy: 0.9135556980434747
Energy: 0.9576080532531472
Energy: 0.913555698042406
Energy: 0.9576080532526129
Energy: 0.9135556980429405
Energy: 0.9576080532531472
Energy: 0.9459890649661222
Energy: 0.9677868132802742
Energy: 0.9459890649671909
Energy: 0.9677868132797397
Energy: 0.9459890649661222
Energy: 0.9677868132813428
Energy: 0.9527120767980317
Energy: 0.98051335551357
Energy: 0.9527120767985661
Energy: 0.9805133555119669
Energy: 0.9527120767985661
Energy: 0.9805133555189133
Energy: 0.8617574880799316
Energy: 1.072976566325811
Energy: 0.8617574880810003
Energy: 0.9082900889266088
Energy: 0.8617574880804659
Energy: 0.9082900889260744
Energy: 0.8654395747639028
Energy: 0.8958813502806325
Energy: 0.8654395747633684
Energy: 0.8958813502801226
Energy: 0.8654395747639028
Energy: 0.8958813502801226
Energy: 0.8558634120712272
Energy: 0.9692441842093519
Energy: 0.8558634120712272
Energy: 0.9692441842114892
Energy: 0.8558634120712272
Energy: 0.9692441842125579
Energy: 0.9525204915028571
Energy: 0.9245104331940108
Energy: 0.9525204915033916
Energy: 0.9245104331918735
Energy: 0.9525204915033916
Energy: 0.9245104331924079
Energy: 0.846674252078062
Energy: 0.9938856259146855
Energy: 0.8466742520785964
Energy: 0.9868902873939529
Energy: 0.8466742520775277
Energy: 0.9868902873939529
Energy: 0.8764774638908042
Energy: 0.8961075889685695
Energy: 0.8764774638902697
Energy: 0.8961075889685695
Energy: 0.8764774638897355
Energy: 0.8961075889680351
Energy: 0.9027710506550396
Energy: 1.042038993552682
Energy: 0.9027710506545052
Energy: 1.042038993554285
Energy: 0.9027710506545052
Energy: 1.0420389935548193
Energy: 0.963919998656293
Energy: 0.9116956190436346
Energy: 0.9639199986568274
Energy: 0.9116956190468406
Energy: 0.9639199986573617
Energy: 0.9116956190425659
Energy: 0.9477839936844984
Energy: 1.073886742294519
Energy: 0.947783993685567
Energy: 1.068227596651983
Energy: 0.947783993685567
Energy: 0.8994865340884508
Energy: 0.8788532879422255
Energy: 0.9124514704438811
Energy: 0.8788532879427599
Energy: 0.9124514704433467
Energy: 0.8788532879416914
Energy: 0.9124514704460183
Energy: 0.9166774226754919
Energy: 1.0292494700069106
Energy: 0.9166774226765607
Energy: 1.0292494700053074
Energy: 0.9166774226754919
Energy: 1.0292494700133223
Energy: 0.9510968318739004
Energy: 0.9031363966919502
Energy: 0.9510968318739004
Energy: 0.9031363966924844
Energy: 0.951096831873366
Energy: 0.9031363966919502
Energy: 0.8444609310847966
Energy: 0.9845047154285426
Energy: 0.8444609310853309
Energy: 0.9845047154189244
Energy: 0.8444609310847966
Energy: 0.9693498567090382
Energy: 0.8447912931192149
Energy: 0.9241839817211599
Energy: 0.8447912931197492
Energy: 0.9241839817238315
Energy: 0.8447912931192149
Energy: 0.9241839817211599
Energy: 0.8954790332275983
Energy: 0.9646470598469975
Energy: 0.8954790332275983
Energy: 0.9646470598437914
Energy: 0.8954790332281326
Energy: 0.9646470598421886
Energy: 0.8672716433281953
Energy: 0.9032391307239647
Energy: 0.8672716433271265
Energy: 0.903239130724499
Energy: 0.8672716433276609
Energy: 0.9032391307239647
Energy: 0.9122421711668719
Energy: 1.0872012538345368
Energy: 0.9122421711668719
Energy: 1.0513933192508254
Energy: 0.9122421711674061
Energy: 0.9661108806652429
Energy: 0.9462427549047374
Energy: 0.9138625003780486
Energy: 0.9462427549036689
Energy: 0.913862500378583
Energy: 0.9462427549036689
Energy: 0.9138625003775144
Energy: 1.0237668061157532
Energy: 0.9217611534156317
Energy: 1.023766806115219
Energy: 0.9217611534156317
Energy: 1.0237668061168221
Energy: 0.9217611534150973
Energy: 0.8623714356547902
Energy: 0.8989973893932057
Energy: 0.8623714356553245
Energy: 0.8989973894081672
Energy: 0.8623714356547902
Energy: 0.8989973893894654
Energy: 0.915804045155157
Energy: 0.9470185577638028
Energy: 0.9158040451546225
Energy: 0.9470185577638028
Energy: 0.915804045155157
Energy: 0.9470185577632684
Energy: 0.8446853252595102
Energy: 1.231708842730324
Energy: 0.8446853252605789
Energy: 1.231708842730324
Energy: 0.8446853252605789
Energy: 1.2317088427308582

minimum gb energy = 0.8444609310847966 eV
minimum distance =  2.30400587336032 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.047062277652514
Energy: 0.9595075937225618
Energy: 1.0470622776517642
Energy: 0.9595075937229368
Energy: 1.047062277652139
Energy: 0.9595075937225618
Energy: 1.0695507828978776
Energy: 0.8826955084740192
Energy: 1.0695507829027529
Energy: 0.8826955084747693
Energy: 1.0695507828982527
Energy: 0.8826955084751444
Energy: 0.9982973618603879
Energy: 1.0726517929271735
Energy: 0.9982973618626378
Energy: 1.072651792925298
Energy: 0.998297361864513
Energy: 1.0726517929264234
Energy: 0.9620551109994024
Energy: 0.9387533270147739
Energy: 0.9620551110008684
Energy: 0.938753327015899
Energy: 0.9620551110001183
Energy: 0.9387533270155239
Energy: 0.9699365463819377
Energy: 0.9913663585830342
Energy: 0.9699365463815628
Energy: 0.9913663585841591
Energy: 0.9699365463800628
Energy: 0.9913663585751591
Energy: 0.9892546876018389
Energy: 0.9581488886755406
Energy: 0.9892546875995888
Energy: 0.9581488886755406
Energy: 0.9892546875988387
Energy: 0.9581488886759156
Energy: 0.9469989082429272
Energy: 1.029874597997844
Energy: 0.9469989082410523
Energy: 1.0298745979974688
Energy: 0.9469989082418022
Energy: 1.0298745979982191
Energy: 0.9893010936708383
Energy: 0.9897703220970416
Energy: 0.9893010936712132
Energy: 0.9897703220944166
Energy: 0.9893010936723383
Energy: 0.9897703220989167
Energy: 1.0857307598442583
Energy: 0.9895542210075924
Energy: 1.0857307598427584
Energy: 0.9895542210075924
Energy: 1.085730759842383
Energy: 0.9895542210083423
Energy: 1.0608727018206046
Energy: 0.934701741093755
Energy: 1.0608727018213544
Energy: 0.934701741093755
Energy: 1.0608727018191044
Energy: 0.934701741093755
Energy: 0.9947364896853459
Energy: 0.9898017224250616
Energy: 0.994736489686846
Energy: 0.9898017224250616
Energy: 0.9947364896860958
Energy: 0.9898017224254365
Energy: 0.9623856810698852
Energy: 0.9393586071859137
Energy: 0.962385681042885
Energy: 0.9393586071859137
Energy: 0.9623856810788853
Energy: 0.9393586071855388
Energy: 0.9907177779019796
Energy: 0.9721302959741979
Energy: 0.9907177779023545
Energy: 0.9721302959820389
Energy: 0.9907177779012296
Energy: 0.972130295975323
Energy: 0.9890674648057163
Energy: 0.988829089028152
Energy: 0.9890674648060912
Energy: 0.988829089029277
Energy: 0.9890674648064663
Energy: 0.9888290890262769
Energy: 1.006971059271574
Energy: 0.9419887054877988
Energy: 1.0069710592700738
Energy: 0.9419887054885487
Energy: 1.0069710592700738
Energy: 0.9419887054889238
Energy: 0.9361709447860008
Energy: 1.0687049651893765
Energy: 0.9361709447848758
Energy: 1.0687049651860017
Energy: 0.9361709447852508
Energy: 1.0687049651815015
Energy: 0.9804388798851127
Energy: 0.9152806360540815
Energy: 0.9804388798862377
Energy: 0.9152806360529565
Energy: 0.9804388798821126
Energy: 0.9152806360533313
Energy: 0.931294787401273
Energy: 0.9640886457912113
Energy: 0.931294787400148
Energy: 0.9640886457919613
Energy: 0.9312947874005228
Energy: 0.9640886457923364
Energy: 1.0780161005750788
Energy: 0.959629715483785
Energy: 1.0780161005754536
Energy: 0.9596297154849099
Energy: 1.0780161005765787
Energy: 0.9596297154879099
Energy: 0.9128497012059024
Energy: 0.9552418603460787
Energy: 0.9128497012048113
Energy: 0.9552418603479538
Energy: 0.9128497012059024
Energy: 0.9552418603472038
Energy: 0.9169547853816103
Energy: 0.9931757521163328
Energy: 0.9169547853819854
Energy: 0.9931757521159577
Energy: 0.9169547853816103
Energy: 0.9931757521133326
Energy: 0.9061752508885178
Energy: 1.0369438535695017
Energy: 0.9061752508870178
Energy: 1.0369438535687516
Energy: 0.9061752508870178
Energy: 1.0369438535695017
Energy: 1.0070638620869532
Energy: 0.8919902041309278
Energy: 1.0070638620877033
Energy: 0.8919902041309278
Energy: 1.0070638620858285
Energy: 0.8919902041294278
Energy: 0.9139835501507758
Energy: 0.9997044061869911
Energy: 0.9139835501492757
Energy: 0.9997044061896162
Energy: 0.9139835501492757
Energy: 0.9997044061903662
Energy: 0.9147141509323375
Energy: 0.9147412215202061
Energy: 0.9147141509338375
Energy: 0.9147412215202061
Energy: 0.9147141509338375
Energy: 0.9147412215198312
Energy: 0.9505752949129749
Energy: 0.988921994269411
Energy: 0.9505752949140998
Energy: 0.988921994272786
Energy: 0.9505752949125998
Energy: 0.988921994268661
Energy: 1.0370906568857527
Energy: 0.9531973872301569
Energy: 1.0370906568850027
Energy: 0.953197387231657
Energy: 1.0370906568846279
Energy: 0.9531973872301569
Energy: 0.992621286020627
Energy: 0.9162758898525164
Energy: 0.9926212860221272
Energy: 0.9162758898536416
Energy: 0.9926212860232523
Energy: 0.9162758898540164
Energy: 0.9555512158870704
Energy: 0.997846132414108
Energy: 0.9555512158904457
Energy: 0.9978461324144831
Energy: 0.9555512158851954
Energy: 0.9978461324144831
Energy: 0.9275217001935014
Energy: 1.0606475443191672
Energy: 0.9275217001938766
Energy: 1.060647544320667
Energy: 0.9275217001950015
Energy: 1.0606475443199173
Energy: 0.9602737547902763
Energy: 0.924701802661474
Energy: 0.9602737547936173
Energy: 0.9247018026610989
Energy: 0.9602737547932424
Energy: 0.924701802661474
Energy: 0.9137304012621994
Energy: 1.0135068831204608
Energy: 0.9137304012636995
Energy: 1.013506883121586
Energy: 0.9137304012625745
Energy: 1.013506883127211
Energy: 0.912072111045929
Energy: 0.9370533134745982
Energy: 0.9120721110470539
Energy: 0.9370533134749732
Energy: 0.9120721110466788
Energy: 0.9370533134738482
Energy: 1.000726001428697
Energy: 1.0148846214623954
Energy: 1.000726001427572
Energy: 1.0148846214627705
Energy: 1.000726001427572
Energy: 1.0148846214623954
Energy: 1.0007125872783247
Energy: 1.0148874082498158
Energy: 1.0007125872783247
Energy: 1.0148874082498158
Energy: 1.0007125872794498
Energy: 1.014887408249441
Energy: 0.9122147968313211
Energy: 0.9368813965229033
Energy: 0.9122147968350711
Energy: 0.9368813965217783
Energy: 0.9122147968298212
Energy: 0.9368813965221532
Energy: 0.9139400816734162
Energy: 1.013018646253821
Energy: 0.9139400816726663
Energy: 1.013018646229446
Energy: 0.9139400816745412
Energy: 1.0130186462316957
Energy: 0.9602601052756502
Energy: 0.9247191844878236
Energy: 0.9602601052760252
Energy: 0.9247191844874486
Energy: 0.9602601052756502
Energy: 0.9247191844881987
Energy: 0.9276279634789949
Energy: 1.060729248184397
Energy: 0.9276279634797449
Energy: 1.060729248181397
Energy: 0.92762796348012
Energy: 1.060729248182522
Energy: 0.9554764149720051
Energy: 0.9980257555424242
Energy: 0.9554764149750052
Energy: 0.9980257555480492
Energy: 0.9554764149806302
Energy: 0.9980257555412991
Energy: 0.9929199109266091
Energy: 0.9164052185549444
Energy: 0.9929199109284841
Energy: 0.9164052185549444
Energy: 0.9929199109251092
Energy: 0.9164052185553195
Energy: 1.0371435566228677
Energy: 0.9531227030640567
Energy: 1.0371435566236178
Energy: 0.9531227030636816
Energy: 1.037143556622493
Energy: 0.9531227030636816
Energy: 0.9505644973118301
Energy: 0.9890490229514142
Energy: 0.9505644973137053
Energy: 0.9890490229521642
Energy: 0.9505644973122053
Energy: 0.9890490229495392
Energy: 0.97855200644795
Energy: 0.9146664285295768
Energy: 0.9785520064464501
Energy: 0.9146664285295768
Energy: 0.9785520064487002
Energy: 0.9146664285295768
Energy: 0.9139644336154648
Energy: 0.9994888587879218
Energy: 0.9139644336169648
Energy: 0.9994888587875468
Energy: 0.9139644336158397
Energy: 0.9994888587875468
Energy: 1.0069117403060917
Energy: 0.8920749659256135
Energy: 1.0069117403079666
Energy: 0.8920749659256135
Energy: 1.0069117403075918
Energy: 0.8920749659256135
Energy: 0.9061605600915085
Energy: 1.0371040374312497
Energy: 0.9061605600918834
Energy: 1.0371040374312497
Energy: 0.9061605600900084
Energy: 1.0371040374308746

minimum gb energy = 0.8826955084740192 eV
minimum distance =  2.3662228922342 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.143597639609482
Energy: 1.0594223509461933
Energy: 1.143597639612985
Energy: 1.0594223509456806
Energy: 1.1435976396119882
Energy: 1.0594223509461933
Energy: 1.0614258808114982
Energy: 0.9244698018820063
Energy: 1.0614258808107293
Energy: 0.9244698018837721
Energy: 1.0614258808150014
Energy: 0.9244698018832596
Energy: 0.9287536511328952
Energy: 1.207983984047303
Energy: 0.9290249512975658
Energy: 1.2079839840475595
Energy: 0.9298412560983005
Energy: 1.2079839840475595
Energy: 1.0613633263070354
Energy: 0.9245440436215974
Energy: 1.061363326308289
Energy: 0.9245440436210848
Energy: 1.061363326305042
Energy: 0.9245440436213411
Energy: 1.1435976396114755
Energy: 1.0594223509449403
Energy: 1.143597639616488
Energy: 1.0594223509444274
Energy: 1.143597639612216
Energy: 1.0594223509446838
Energy: 1.0614258808119825
Energy: 0.924469801883516
Energy: 1.0614258808114982
Energy: 0.9244698018830031
Energy: 1.0614258808119825
Energy: 0.9244698018832596
Energy: 0.9333996299481739
Energy: 1.2079839840492965
Energy: 0.9333996299694486
Energy: 1.2079839840490403
Energy: 0.9333996300015175
Energy: 1.2079839840490403

minimum gb energy = 0.9244698018820063 eV
minimum distance =  2.3724567483648 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.355657328722963
Energy: 1.2288656632774546
Energy: 1.3556573287188702
Energy: 1.2288656632774546
Energy: 1.3556573287198626
Energy: 1.2288656632767725
Energy: 1.2471584185057814
Energy: 1.0707763406947108
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Energy: 1.1583336548570027
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Energy: 1.1604003791752615
Energy: 1.0717891439673866
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Energy: 1.1553551712471257
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Energy: 1.1038592556637101
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Energy: 1.0978929145038596
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Energy: 1.097608828989345
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Energy: 1.1727974098183387
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Energy: 1.1518257677541388
Energy: 1.1456751020072704
Energy: 1.1500640756531686
Energy: 1.1456751020075804
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Energy: 1.129416265688099
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Energy: 1.0488180632857973
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Energy: 1.0484013566255554
Energy: 1.1609358355205448
Energy: 1.048167093720094
Energy: 1.041616944395413
Energy: 1.2425859843630653
Energy: 1.041616944395785
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Energy: 1.0416169443940488
Energy: 1.2425859843623832
Energy: 1.1625991763305663
Energy: 1.1467878734077757
Energy: 1.163478417499762
Energy: 1.1467878734074657
Energy: 1.1631063319070452
Energy: 1.1467878734054193
Energy: 1.1117300144621622
Energy: 1.102466622100056
Energy: 1.111730014460798
Energy: 1.1002601814089499
Energy: 1.111730014460798
Energy: 1.1019788813119795
Energy: 1.4132309742490443
Energy: 1.0507717814005897
Energy: 1.4132309742486722
Energy: 1.0507717814005897
Energy: 1.4132309742490443
Energy: 1.0507717813999076
Energy: 1.0638120487662124
Energy: 1.1138749387953983
Energy: 1.0638098126864781
Energy: 1.1138749387967626
Energy: 1.063804394792502
Energy: 1.1138749387944062
Energy: 1.1552061330823633
Energy: 1.0724444211832602
Energy: 1.1545071263164248
Energy: 1.0724444211843145
Energy: 1.1532905752078833
Energy: 1.0724444211829502
Energy: 1.1631831602910347
Energy: 1.1842964089423085
Energy: 1.1631831602900427
Energy: 1.1862944683302155
Energy: 1.1631831602923992
Energy: 1.1865887695860449
Energy: 1.2860833925260404
Energy: 1.069412552913722
Energy: 1.2860833925253585
Energy: 1.069412552914094
Energy: 1.2860833925260404
Energy: 1.0694125529147762
Energy: 1.0434961494712744
Energy: 1.1137276302705232
Energy: 1.0435323548176618
Energy: 1.1137276302705232
Energy: 1.043662414498149
Energy: 1.113727630269469
Energy: 1.15158586933128
Energy: 1.0910225175028563
Energy: 1.1542032102499054
Energy: 1.0909659583064186
Energy: 1.1543571461867304
Energy: 1.0543938627097498
Energy: 1.1115329973626504
Energy: 1.0702352852049084
Energy: 1.1115329973626504
Energy: 1.0711298737771462
Energy: 1.1115329973630226
Energy: 1.0609421875741785
Energy: 1.2079985149806642
Energy: 1.145850462839984
Energy: 1.2079985149820285
Energy: 1.1458504628410382
Energy: 1.2079985149820285
Energy: 1.1458504628413482
Energy: 1.1036903717822601
Energy: 1.145148380369486
Energy: 1.1034130427263722
Energy: 1.1451483803691758
Energy: 1.1035692378483468
Energy: 1.145148380368804

minimum gb energy = 1.0416169443940488 eV
minimum distance =  2.34595041724793 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.214219811725603
Energy: 1.1787794652872243
Energy: 1.214219811725603
Energy: 1.1787794652876926
Energy: 1.214219811732156
Energy: 1.1787794652876926
Energy: 1.1658452674653417
Energy: 1.1802875780949786
Energy: 1.1658452674658097
Energy: 1.1802875780949786
Energy: 1.1658452674648736
Energy: 1.180287578095915
Energy: 1.2232682952770166
Energy: 1.0531838182305804
Energy: 1.2232233973221263
Energy: 1.0531838182305804
Energy: 1.0935365265844772
Energy: 1.0531838182319844
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Energy: 1.0522011224668615
Energy: 1.203678613464351
Energy: 1.0417890375277574
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Energy: 1.0417455091869974
Energy: 1.2093559988818097
Energy: 1.1462412274380622
Energy: 1.2093559988771285
Energy: 1.1462412274343174
Energy: 1.2093559988804052
Energy: 1.1462412274371259
Energy: 1.0999569491803318
Energy: 1.0553573914365488
Energy: 1.099956949179396
Energy: 1.055357391437017
Energy: 1.0999569491803318
Energy: 1.055357391437017
Energy: 1.0670646633365213
Energy: 1.0540374332076798
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Energy: 1.0540374332081477
Energy: 1.0670646633351595
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Energy: 0.9777850187558452
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Energy: 1.0565601984418056
Energy: 1.054486722046645
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Energy: 1.0543550544853435
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Energy: 1.1521244549094862
Energy: 1.2126111491169946
Energy: 1.1521244549090184
Energy: 1.2126111491118459
Energy: 1.250816839431804
Energy: 1.0544798088596583
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Energy: 1.0544798088601264
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Energy: 1.0544798088596583
Energy: 1.2715165944329156
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Energy: 1.102362796793389
Energy: 1.27151659443432
Energy: 1.1023627967929208
Energy: 1.1766199080759279
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Energy: 1.1589323484148604
Energy: 1.1766199080759279
Energy: 1.15893234841252
Energy: 1.2331568706680662
Energy: 1.0563503685007658
Energy: 1.2331568706671303
Energy: 1.0563503685021702
Energy: 1.2331568706666622
Energy: 1.0563503685002977
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Energy: 1.27032526834782
Energy: 1.1821327718551404
Energy: 1.2703252683459472
Energy: 1.0902712016008933
Energy: 1.2703252683468835
Energy: 1.0904450012002447
Energy: 1.0524390845771032
Energy: 1.0523164644876106
Energy: 1.041742321136566
Energy: 1.052445535797082
Energy: 1.0421163523297423
Energy: 1.0575682988886204
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Energy: 1.2130247431615366
Energy: 1.143481218576345
Energy: 1.213024743162941
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Energy: 1.2130247431610683
Energy: 1.1098626453693694
Energy: 1.1177428052506406
Energy: 1.1098626453698377
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Energy: 1.1098626453698377
Energy: 1.1177428052506406
Energy: 1.1125602649907864
Energy: 1.058483943881759
Energy: 1.1125602649912545
Energy: 1.058483943881291
Energy: 1.1125602649912545
Energy: 1.058483943881759
Energy: 1.1592254724882054
Energy: 1.2240887525158826
Energy: 1.1592254724868012
Energy: 1.2240887525154145
Energy: 1.1592254724886735
Energy: 1.2240887525154145
Energy: 1.063370210993227
Energy: 1.0589699221478859
Energy: 1.0638052523919808
Energy: 1.0589558883101449
Energy: 1.058156000720752
Energy: 1.058579954583696
Energy: 1.2707294246907688
Energy: 1.326694407561979
Energy: 1.2707294246926413
Energy: 1.3264347692698124
Energy: 1.2707294246912368
Energy: 1.155261571065776
Energy: 1.0139596872112513
Energy: 1.1924645685278616
Energy: 1.0139596872121874
Energy: 1.19246456852833
Energy: 1.0139596872121874
Energy: 1.1924645685278616
Energy: 1.057931765665078
Energy: 1.0571476722201636
Energy: 1.0591889299814106
Energy: 1.0571476722196955
Energy: 1.0591986067523984
Energy: 1.0571476722187594
Energy: 1.1719856975832348
Energy: 1.1651488611076726
Energy: 1.1719856975822984
Energy: 1.1651488611076726
Energy: 1.1719856975822984
Energy: 1.1651488611081406
Energy: 1.055469025049266
Energy: 1.0740514278484783
Energy: 1.0554690250469254
Energy: 1.0740514278480529
Energy: 1.0554690250473935
Energy: 1.0740514278484783
Energy: 1.2025710819601123
Energy: 1.2688993043084487
Energy: 1.2025710818913016
Energy: 1.2688993043079804
Energy: 1.2025710817397224
Energy: 1.2688993043084487
Energy: 1.1455661556651615
Energy: 1.2176414004835645
Energy: 1.1455661556525654
Energy: 1.2176414004854368
Energy: 1.1455661556511612
Energy: 1.2176414004882454
Energy: 1.0568512929777765
Energy: 1.0801855538092067
Energy: 1.0568512929759042
Energy: 1.0801821233079554
Energy: 1.0568512929777765
Energy: 1.0799668366208186
Energy: 1.0524632766817485
Energy: 1.0664778149229217
Energy: 1.0524632766812805
Energy: 1.0664778149219858
Energy: 1.0524632766803443
Energy: 1.0664778149229217
Energy: 1.1046935889231952
Energy: 1.466554837546814
Energy: 1.1046893307678773
Energy: 1.4665548375482182
Energy: 0.9480243235607994
Energy: 1.4665548375477502
Energy: 1.211043630611313
Energy: 1.0522533913764658
Energy: 1.211381533858683
Energy: 1.0401372216527207
Energy: 1.016556476225156
Energy: 1.0402520886433726
Energy: 1.1736696275487866
Energy: 1.159286132545891
Energy: 1.1736696275497227
Energy: 1.159286132544955
Energy: 1.1736696275497227
Energy: 1.1592861325454231
Energy: 1.117531309704167
Energy: 1.0540087006928849
Energy: 1.117531309703699
Energy: 1.0540087006928849
Energy: 1.1175313097027626
Energy: 1.0540087006924168

minimum gb energy = 0.9480243235607994 eV
minimum distance =  2.38649829000765 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.2913238763477748
Energy: 1.2203307024776533
Energy: 1.2913238763437498
Energy: 1.2203307024776533
Energy: 1.2913238763443249
Energy: 1.2203307024770782
Energy: 1.1612549400010757
Energy: 1.0802197412033314
Energy: 1.1612549400010757
Energy: 1.0802197412033314
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Energy: 1.0802197412033314
Energy: 1.0187732697813467
Energy: 1.2972606110017117
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Energy: 1.1110392752760285
Energy: 1.1213680093508958
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Energy: 1.121367999303048
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Energy: 1.1213679815855346
Energy: 1.2109639370389835
Energy: 1.0737456212782275
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Energy: 1.074031623475762
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Energy: 1.0739416158276243
Energy: 1.1042113519029926
Energy: 1.163094791932803
Energy: 1.1041627207743976
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Energy: 1.1041009926783982
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Energy: 1.2182889629304894
Energy: 1.3628377598074946
Energy: 1.2182889629299145
Energy: 1.3628377598069197
Energy: 1.2182889629304894
Energy: 1.3628377598080696
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Energy: 1.060042188502057
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Energy: 1.0600720889489206
Energy: 1.1453681695990774
Energy: 1.0603389756766801
Energy: 1.2329857568754583
Energy: 1.05763391227389
Energy: 1.2336926276617508
Energy: 1.0576339122715899
Energy: 1.1927249214401374
Energy: 1.0576339122721647
Energy: 1.0872671577257176
Energy: 1.1670307218644336
Energy: 1.0872671545635813
Energy: 1.1670307218661586
Energy: 1.0872671519698878
Energy: 1.1670307218673086
Energy: 1.2934279475808843
Energy: 1.127682710258873
Energy: 1.2934279475814592
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Energy: 1.1447486641156022
Energy: 1.1399827418810857
Energy: 1.1447486641156022
Energy: 1.1404229061383206
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Energy: 1.1408986839108683
Energy: 1.206321711726357
Energy: 1.1637171768945145
Energy: 1.2055890286472632
Energy: 1.1637171768950894
Energy: 1.205752351811732
Energy: 1.1637171768945145
Energy: 1.0355751453702338
Energy: 1.350735473928574
Energy: 1.035575145369084
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Energy: 1.0355751453702338
Energy: 1.3507354739291488
Energy: 1.104807413057201
Energy: 1.1757660806827317
Energy: 1.1048074130543262
Energy: 1.0558128220145342
Energy: 1.104807413056051
Energy: 1.0558875579225546
Energy: 1.1681010635519626
Energy: 1.057950412470457
Energy: 1.107626022673821
Energy: 1.057037409166936
Energy: 1.107734902344921
Energy: 1.0577982485342032
Energy: 1.1114900972400539
Energy: 1.0757103612932022
Energy: 1.1140898205600276
Energy: 1.0757103612932022
Energy: 1.1147705694827175
Energy: 1.075710361292627
Energy: 1.3745441544083201
Energy: 1.1936520753867474
Energy: 1.3745441544083201
Energy: 1.1936520753867474
Energy: 1.3745441544077452
Energy: 1.1936520753878974
Energy: 1.2982442743474616
Energy: 1.162474749445232
Energy: 1.2982442743463116
Energy: 1.162474749445232
Energy: 1.2982442743486116
Energy: 1.162474749445807
Energy: 1.120372078031969
Energy: 1.1552615010287184
Energy: 1.120110671375419
Energy: 1.1552615010287184
Energy: 1.119984546032532
Energy: 1.1552615010292935
Energy: 1.1085318510223408
Energy: 1.1294789832342054
Energy: 1.1084188171042137
Energy: 1.1294789832342054
Energy: 1.1084384707913641
Energy: 1.1294789832347802
Energy: 1.2185388553492658
Energy: 1.0337558767221118
Energy: 1.2185388553492658
Energy: 1.0339390781673472
Energy: 1.218538855346417
Energy: 1.0341474914801607
Energy: 1.036738345092723
Energy: 1.1750201803272564
Energy: 1.036738345097898
Energy: 1.1750201803272564
Energy: 1.0367383451007726
Energy: 1.1750201803278315
Energy: 1.2050336781299942
Energy: 1.165026342444724
Energy: 1.2053258937058478
Energy: 1.165026342444724
Energy: 1.205056900616202
Energy: 1.165026342444724
Energy: 1.143349554861924
Energy: 1.161682003813369
Energy: 1.143349554861924
Energy: 1.1616820038122193
Energy: 1.143349554862499
Energy: 1.1616820038122193
Energy: 1.2194779477906
Energy: 1.210247721234375
Energy: 1.219477947792325
Energy: 1.2102477212366751
Energy: 1.219477947792325
Energy: 1.2102477212361
Energy: 1.150036682907465
Energy: 1.0794499866442882
Energy: 1.0267445020918007
Energy: 1.0794499866442882
Energy: 1.0256864262793066
Energy: 1.079449986643713
Energy: 1.1351499524802413
Energy: 1.0571025240230254
Energy: 1.1241101347701727
Energy: 1.0571025240230254
Energy: 1.1240816802693918
Energy: 1.0571025240230254
Energy: 1.1432834473275149
Energy: 1.0600677093720459
Energy: 1.1432834473275149
Energy: 1.0610107833801783
Energy: 1.1432834473280897
Energy: 1.0603940320161258
Energy: 1.2403164825402022
Energy: 1.2657605188249497
Energy: 1.2403164825407773
Energy: 1.2657605188255243
Energy: 1.2403164825407773
Energy: 1.2657605188249497
Energy: 1.1384264936403108
Energy: 1.1632930267731363
Energy: 1.1404536718892138
Energy: 1.1632930267708363
Energy: 1.28625377410551
Energy: 1.1632930267742863

minimum gb energy = 1.0187732697813467 eV
minimum distance =  2.36930838450196 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.3464443780895567
Energy: 1.1521349383071189
Energy: 1.3464443780910458
Energy: 1.1521349383078632
Energy: 1.3464443780903013
Energy: 1.1521349383071189
Energy: 1.169334715219212
Energy: 1.0216849250999467
Energy: 1.1693347152177231
Energy: 1.021684925100691
Energy: 1.1693347152184677
Energy: 1.021684925100691
Energy: 1.239573585957954
Energy: 1.334297633366678
Energy: 1.2395735859386317
Energy: 1.3342976333644447
Energy: 1.2395735858500734
Energy: 1.3342976333651893
Energy: 1.1792915500633134
Energy: 1.0102915504607666
Energy: 1.1792915500633134
Energy: 1.010239055841241
Energy: 1.1792915500655465
Energy: 1.0105779901516856
Energy: 1.1404761744657925
Energy: 1.009695326104562
Energy: 1.140476174466537
Energy: 1.0097426671484928
Energy: 1.1404761744657925
Energy: 1.0095031860962853
Energy: 1.1455647953844088
Energy: 1.0693252617243565
Energy: 1.0020308582927335
Energy: 1.0693252617243565
Energy: 1.0017566421493171
Energy: 1.0693252617243565
Energy: 1.198404511823626
Energy: 1.2114271751682586
Energy: 1.198404511823626
Energy: 1.2114271751667696
Energy: 1.198404511823626
Energy: 1.2114271751690033
Energy: 1.1796100805130827
Energy: 1.1627897880149263
Energy: 1.1796100805115937
Energy: 1.1627897880134375
Energy: 1.1796100805123384
Energy: 1.162789788014182
Energy: 1.1630691308406427
Energy: 1.0212034878250726
Energy: 1.1630691308406427
Energy: 1.0212034878258172
Energy: 1.1630691308413872
Energy: 1.0212034878280507
Energy: 0.9473289767055592
Energy: 1.1027828283767342
Energy: 0.9473289767040701
Energy: 1.1027828283767342
Energy: 0.9473289767063036
Energy: 1.1027828283774785
Energy: 1.1980066104551872
Energy: 1.010632899842604
Energy: 1.19800661045072
Energy: 1.0097826923368847
Energy: 1.19800661045072
Energy: 1.0095936356023125
Energy: 1.3262487565267358
Energy: 1.017258051374319
Energy: 1.3262487565245025
Energy: 1.0117867200361923
Energy: 1.3262487565274803
Energy: 1.0123025731940047
Energy: 0.9347234247664293
Energy: 1.020914413105796
Energy: 0.9348181991330103
Energy: 1.0209144131050514
Energy: 0.9348539541411084
Energy: 1.0209144131050514
Energy: 1.068131431264702
Energy: 1.021801416356803
Energy: 1.0681314311307648
Energy: 1.0218014163545694
Energy: 1.068131431298203
Energy: 1.0218014163582918
Energy: 1.068363178507798
Energy: 1.0194419766160556
Energy: 1.0683631785070533
Energy: 1.0194419766182887
Energy: 1.068363178507798
Energy: 1.0194419766160556
Energy: 1.3252578535561186
Energy: 1.2075993332277815
Energy: 1.3252578535546296
Energy: 1.2075993332262926
Energy: 1.3252578535561186
Energy: 1.2075993332277815
Energy: 0.9476341381684781
Energy: 1.1688104260866712
Energy: 0.9476341381677337
Energy: 1.1688104260851824
Energy: 0.9476341381669892
Energy: 1.1688104260859267
Energy: 1.1969033399617997
Energy: 0.9141870214307314
Energy: 1.1969033399640332
Energy: 0.9144881695588594
Energy: 1.1969033399617997
Energy: 0.9144688955723551
Energy: 0.947552344448262
Energy: 1.1687637899855072
Energy: 0.947552344448262
Energy: 1.1687637899869963
Energy: 0.9475523444490064
Energy: 1.1687637899840184
Energy: 1.3253205598988635
Energy: 1.207592578829735
Energy: 1.3253205599003186
Energy: 1.2075925788289905
Energy: 1.325320559899574
Energy: 1.2075925788289905
Energy: 1.0682867674827603
Energy: 1.0192561523450443
Energy: 1.0682867674827603
Energy: 1.0192561523435553
Energy: 1.0682867674812715
Energy: 1.0192561523442998
Energy: 1.202725628525532
Energy: 1.1120870923968467
Energy: 1.2027256285009649
Energy: 1.1120870923968467
Energy: 1.2027256284845864
Energy: 1.1120870923968467
Energy: 0.9348967831566245
Energy: 1.0206690484606762
Energy: 0.934986072145519
Energy: 1.0206690484629097
Energy: 0.9351846572078886
Energy: 1.020669048462165
Energy: 1.3263089993299362
Energy: 1.0214034555805735
Energy: 1.3263089993306807
Energy: 1.0135558080851756
Energy: 1.3263089993299362
Energy: 1.0130976144839672

minimum gb energy = 0.9141870214307314 eV
minimum distance =  2.39277919556645 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.0684887671341776
Energy: 1.1597651155735451
Energy: 1.0684887671341776
Energy: 1.1597651155735451
Energy: 1.0684887671352306
Energy: 1.159765115575651
Energy: 1.0318166220114713
Energy: 1.0137866944399567
Energy: 1.0318166220114713
Energy: 1.0137866944399567
Energy: 1.0318166220114713
Energy: 1.0137866944420626
Energy: 1.057814464526608
Energy: 1.2273618570549036
Energy: 0.8708027899279774
Energy: 1.2273618570538505
Energy: 0.8707453277669762
Energy: 1.2273618570549036
Energy: 0.9231861176283078
Energy: 1.0055313507654933
Energy: 0.9231861176283078
Energy: 1.0071581824549112
Energy: 0.9231861176283078
Energy: 1.0076819252842522
Energy: 0.9170905960819995
Energy: 1.0884000447926971
Energy: 0.9582974206806895
Energy: 1.088336329408696
Energy: 0.9603667008201736
Energy: 1.0882880965668336
Energy: 0.9171796649505237
Energy: 1.2167224830675076
Energy: 0.9176611495048473
Energy: 1.2167224830675076
Energy: 0.9176637853083301
Energy: 1.2167224830664547
Energy: 0.9785772978838466
Energy: 1.052029779284737
Energy: 0.9785772978838466
Energy: 1.052029779284737
Energy: 0.9785772978838466
Energy: 1.0520297792857898
Energy: 0.9228646896910787
Energy: 1.1205187625899358
Energy: 0.9228646896910787
Energy: 1.1205187625857247
Energy: 0.9228646896900259
Energy: 1.1205187625899358
Energy: 0.9136660443499451
Energy: 1.0931718049259633
Energy: 0.9115002029163888
Energy: 1.0931718049259633
Energy: 0.9109098221454037
Energy: 1.0931718049259633
Energy: 1.0871901884264485
Energy: 1.0111942830102802
Energy: 1.0871901884253956
Energy: 1.0111942830092273
Energy: 1.0871901884264485
Energy: 1.0111942830113332
Energy: 1.068955249055432
Energy: 1.0049375974775359
Energy: 1.068955249054379
Energy: 1.0049375974764831
Energy: 1.068955249055432
Energy: 1.0049375974775359
Energy: 1.0430207568297938
Energy: 1.011614684201751
Energy: 1.0430207568234768
Energy: 1.011614684201751
Energy: 1.043020756822424
Energy: 1.011614684201751
Energy: 0.920462391770812
Energy: 1.1174979398610743
Energy: 0.920462391771865
Energy: 1.1174979398610743
Energy: 0.920462391771865
Energy: 1.1174979398610743
Energy: 1.085715825601325
Energy: 1.039259946910735
Energy: 1.085715825601325
Energy: 0.8652595521569186
Energy: 1.0857158256002724
Energy: 0.8650798807955292
Energy: 1.1439064812547077
Energy: 1.142617792043685
Energy: 1.0126402076119094
Energy: 1.142617792043685
Energy: 1.0126683380370387
Energy: 1.142617792043685
Energy: 0.9077822871358542
Energy: 1.11674007100733
Energy: 0.9082875875008428
Energy: 1.11674007100733
Energy: 0.908770790082835
Energy: 1.11674007100733
Energy: 1.0847564332695045
Energy: 1.1485087864047347
Energy: 1.0847564332695045
Energy: 1.148508786402629
Energy: 1.0847564332684518
Energy: 1.1485087864089463

minimum gb energy = 0.8650798807955292 eV
minimum distance =  2.31646476538333 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.9665726003770908
Energy: 1.0156766330283364
Energy: 0.9665726003758712
Energy: 1.0156766330283364
Energy: 0.9665726003770908
Energy: 1.0156766330283364
Energy: 0.9699915773880468
Energy: 0.9788470785917853
Energy: 0.9699915773884533
Energy: 0.9788470785913786
Energy: 0.9699915773864205
Energy: 0.9788470785909721
Energy: 1.031834143819617
Energy: 1.0723307466903746
Energy: 1.0318331221437107
Energy: 1.072330746689968
Energy: 1.0318298441484004
Energy: 1.0723307466907812
Energy: 0.8818340980522216
Energy: 1.097525511692308
Energy: 0.8818340980530347
Energy: 1.0975255116853961
Energy: 0.8818340980530347
Energy: 1.0975255116886486
Energy: 0.9857785142420695
Energy: 0.9763627983347445
Energy: 0.985778514244509
Energy: 0.9763627983343379
Energy: 0.9857785142493878
Energy: 0.9763627983347445
Energy: 0.8382579633060222
Energy: 0.9819501548947432
Energy: 0.8380317425162888
Energy: 0.9819501548943367
Energy: 0.8387541097732126
Energy: 0.9819501548943367
Energy: 0.9714850585432482
Energy: 1.0543862005948617
Energy: 0.9714850585432482
Energy: 1.0543862005948617
Energy: 0.9714850585448745
Energy: 1.0543862005940483
Energy: 1.0421868905815905
Energy: 1.0431502404372792
Energy: 1.0421868905738656
Energy: 1.0431502404311808
Energy: 1.0421868905677671
Energy: 1.0431502404295545
Energy: 1.0746636144849135
Energy: 1.0628712458979321
Energy: 1.0746636144824742
Energy: 1.0628712458983387
Energy: 1.0746636144853199
Energy: 1.0628712458979321
Energy: 0.9619884069007262
Energy: 0.9470780403596535
Energy: 0.9619884068990998
Energy: 0.9470780403588404
Energy: 0.9619884069003196
Energy: 0.9470780403596535
Energy: 0.8820692326098326
Energy: 1.0177450620390776
Energy: 0.8820692326077996
Energy: 1.0177450620195991
Energy: 0.8820692326090194
Energy: 1.017745062013094
Energy: 1.1674848707899776
Energy: 0.9500038420815013
Energy: 1.167484870791604
Energy: 0.9500038420823146
Energy: 1.1674848707907908
Energy: 0.9500038420843474
Energy: 1.042803678096558
Energy: 0.9655885556497279
Energy: 1.0428036780941186
Energy: 0.9655885556420031
Energy: 1.0428036780953382
Energy: 0.9655885556615185
Energy: 1.0424772418085888
Energy: 1.016487813594631
Energy: 1.0424772418118415
Energy: 1.0164878135950375
Energy: 1.0424772418089954
Energy: 1.0164878135970703
Energy: 0.9794011257707118
Energy: 0.9507418805274291
Energy: 0.9794011249404591
Energy: 0.950741880529462
Energy: 0.9794008927039681
Energy: 0.9507418805274291
Energy: 0.9666968880575405
Energy: 1.089895176707029
Energy: 0.966696888057134
Energy: 1.0898951767066227
Energy: 0.9666968880575405
Energy: 1.0898951767066227
Energy: 1.0433296099343892
Energy: 1.1078953888539238
Energy: 1.0433296099372351
Energy: 1.1078953888543306
Energy: 1.043329609935202
Energy: 1.1078953888543306
Energy: 1.113050979453272
Energy: 1.0635420406542166
Energy: 1.113050930504475
Energy: 1.0635420406505947
Energy: 1.113050819683724
Energy: 1.0635420406522211
Energy: 1.0816548538904798
Energy: 1.032095781785656
Energy: 1.0816548538888535
Energy: 1.032095781785656
Energy: 1.0816548538965782
Energy: 1.0320957817799643
Energy: 1.0426689354942809
Energy: 1.067191753390908
Energy: 1.0426689354963135
Energy: 1.0671917533905015
Energy: 1.0426689354950938
Energy: 1.0671917533892818
Energy: 1.0815831021102518
Energy: 1.0318984639444295
Energy: 1.0815831021110651
Energy: 1.0318984639448359
Energy: 1.0815831020972417
Energy: 1.031898463944023
Energy: 1.1131839902792366
Energy: 1.0643218061073723
Energy: 1.1131839110373607
Energy: 1.0643218061081854
Energy: 1.113183786650925
Energy: 1.0643218061049329
Energy: 1.0431884927996573
Energy: 1.1078229798859958
Energy: 1.043188492800064
Energy: 1.107822979886809
Energy: 1.043188492799251
Energy: 1.1078229798864023
Energy: 0.9663883407595479
Energy: 1.1178781102017772
Energy: 0.9663883407644269
Energy: 1.1178781101977118
Energy: 0.9663883407591415
Energy: 1.1178781102001512
Energy: 0.9793331109005592
Energy: 0.9504143524959271
Energy: 0.9793331073930068
Energy: 0.9504143524947074
Energy: 0.9793331007725337
Energy: 0.950414352495114
Energy: 1.0424803279470425
Energy: 1.0163900620543314
Energy: 1.0424803279466361
Energy: 1.0163900620588038
Energy: 1.0424803279474493
Energy: 1.0163900620632758
Energy: 1.0427114170536054
Energy: 0.9721680367716891
Energy: 1.0427114170531986
Energy: 0.972168036768843
Energy: 1.0427114170548248
Energy: 0.9721680367700626
Energy: 1.1672729646911362
Energy: 0.9506043973867013
Energy: 1.1672729646931692
Energy: 0.9506043973887341
Energy: 1.1672729646886968
Energy: 0.9506043973854815
Energy: 0.8819542796725123
Energy: 1.0176616059369965
Energy: 0.8819542796729187
Energy: 1.0176616059390293
Energy: 0.8819542796716991
Energy: 1.0176616059447212
Energy: 0.9620072530071915
Energy: 1.0840594368831593
Energy: 0.9620072530092243
Energy: 1.0840594368823462
Energy: 0.9620072530088177
Energy: 1.0840594368819394
Energy: 1.0743214894450084
Energy: 1.0629133642247977
Energy: 1.0743214894478543
Energy: 1.0629133642247977
Energy: 1.0743214894466344
Energy: 1.0629133642260173
Energy: 1.0407484391727193
Energy: 1.0433977718412444
Energy: 1.04074843918366
Energy: 1.043397771833963
Energy: 1.0407484391820336
Energy: 1.0433977718347762
Energy: 0.9715426552712528
Energy: 1.0543302888905153
Energy: 0.9715426552732859
Energy: 1.0543302888974269
Energy: 0.9715426552716594
Energy: 1.0543302888958006
Energy: 0.840284918705143
Energy: 0.9613017737839894
Energy: 0.8396411676270924
Energy: 0.9613017737831763
Energy: 0.8408977308332142
Energy: 0.9613017737839894
Energy: 0.9814825985449609
Energy: 0.9763624523258794
Energy: 0.9814825985449609
Energy: 0.9763624523262859
Energy: 0.9814825985506529
Energy: 0.9763624523254729
Energy: 0.8816357144723006
Energy: 1.0974354888173357
Energy: 0.881635714471894
Energy: 1.097435488812457
Energy: 0.8816357144727072
Energy: 1.097435488824654
Energy: 1.0318266370558848
Energy: 1.0723663332385585
Energy: 1.0318261060504388
Energy: 1.0723663332385585
Energy: 1.0318231788342411
Energy: 1.0723663332385585
Energy: 0.9699428185294158
Energy: 0.997223296439127
Energy: 0.9699428185290091
Energy: 0.99722329643994
Energy: 0.9699428185286026
Energy: 0.9972232964387203
Energy: 0.9665726003803434
Energy: 1.0156766330275233
Energy: 0.9665726003807501
Energy: 1.0156766330271165
Energy: 0.9665726003803434
Energy: 1.0156766330271165
Energy: 0.9699915773872337
Energy: 0.9788470785942247
Energy: 0.9699915773876402
Energy: 0.9788470785942247
Energy: 0.9699915773864205
Energy: 0.9788470785938181
Energy: 1.031834117889107
Energy: 1.0723307466956602
Energy: 1.0318330508048883
Energy: 1.0723307466960665
Energy: 1.0318301307317537
Energy: 1.0723307466956602
Energy: 0.8818340980501888
Energy: 1.1196982111594709
Energy: 0.8818340980518149
Energy: 1.11969821113467
Energy: 0.8818340980497821
Energy: 1.1196982111428015
Energy: 0.9857785142408498
Energy: 0.9763627983318984
Energy: 0.985778514235971
Energy: 0.9763627983323049
Energy: 0.9857785142408498
Energy: 0.9763627983314919

minimum gb energy = 0.8380317425162888 eV
minimum distance =  2.34036934622109 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.9536178933646328
Energy: 0.9290182123609418
Energy: 0.9536178933639706
Energy: 0.9290182123622657
Energy: 0.9536178933639706
Energy: 0.9290182123616038
Energy: 0.9206037047267278
Energy: 0.9151290419767504
Energy: 0.9206037047247417
Energy: 0.9151290419754263
Energy: 0.9206037047280519
Energy: 0.9151290419760882
Energy: 0.9665230407091122
Energy: 0.9883800195646212
Energy: 0.9665230405589
Energy: 0.9883800195666071
Energy: 0.9665230402809833
Energy: 0.9883800195652833
Energy: 0.9376120245965527
Energy: 1.0290166067605213
Energy: 0.9376120245985385
Energy: 1.0290166067605213
Energy: 0.9376120245978765
Energy: 1.0290166067631692
Energy: 0.9228905193199263
Energy: 0.8638015381488386
Energy: 0.9228905193120427
Energy: 0.8638015381495007
Energy: 0.9228905193113807
Energy: 0.8638015381495007
Energy: 0.9752784875197754
Energy: 0.9189477903405004
Energy: 0.9752784875111695
Energy: 0.9189477903398383
Energy: 0.9752784875204373
Energy: 0.9189477903398383
Energy: 0.8748718201762465
Energy: 0.999035991720339
Energy: 0.8748718201755844
Energy: 0.999035991720339
Energy: 0.8748718201709504
Energy: 0.999035991720339
Energy: 0.9440547743304282
Energy: 0.9732258059643168
Energy: 0.9440547743171883
Energy: 0.9732212749922174
Energy: 0.9440547743178502
Energy: 0.9732131163368309
Energy: 0.941232152685319
Energy: 0.9195460477274423
Energy: 0.941232152683995
Energy: 0.9195460477281046
Energy: 0.941232152685319
Energy: 0.9195460477281046
Energy: 0.9325031237282484
Energy: 0.9601423137011138
Energy: 0.9325031237295724
Energy: 0.9601423137024379
Energy: 0.9325031237295724
Energy: 0.9601423137011138
Energy: 0.8749620577487643
Energy: 0.9790818808562759
Energy: 0.8749620577533983
Energy: 0.9790818808576
Energy: 0.8749620577481023
Energy: 0.9790818808628957
Energy: 0.9813613686031806
Energy: 0.8847704522611607
Energy: 0.9813613686018567
Energy: 0.8847704522611607
Energy: 0.9813613686031806
Energy: 0.8847704522604988
Energy: 0.9299606536274471
Energy: 0.9931098818313459
Energy: 0.9299606536274471
Energy: 0.9931098818333318
Energy: 0.9299606536267849
Energy: 0.993109881833994
Energy: 0.8950023202829478
Energy: 0.9767939473529684
Energy: 0.8950023202822859
Energy: 0.9767939473516444
Energy: 0.8950023202829478
Energy: 0.9767939473549543
Energy: 1.0397419153941276
Energy: 0.9407118553371926
Energy: 1.0397419153947896
Energy: 0.9407118553371926
Energy: 1.0397419153947896
Energy: 0.9407118553358685
Energy: 0.9273666479126057
Energy: 0.9186617258634756
Energy: 0.9273666479145918
Energy: 0.9186617258641375
Energy: 0.9273666479139299
Energy: 0.9186617258634756
Energy: 0.9641719760006624
Energy: 1.0279313382716424
Energy: 0.9641719760006624
Energy: 1.0279313382689943
Energy: 0.9641719760000005
Energy: 1.0279313382689943
Energy: 0.9439762728551053
Energy: 0.975988230144181
Energy: 0.9439762728551053
Energy: 0.9759882301448429
Energy: 0.9439762728537813
Energy: 0.9759882301435191
Energy: 0.9060636806139517
Energy: 0.9662357833952923
Energy: 0.9060636806152758
Energy: 0.9662357833946303
Energy: 0.9060636806152758
Energy: 0.9662357833959543
Energy: 0.8948101382883511
Energy: 1.0214815192669988
Energy: 0.894810138287027
Energy: 1.021481519267661
Energy: 0.894810138286365
Energy: 1.021481519267661
Energy: 0.9544517379326283
Energy: 0.9726304076051013
Energy: 0.9544517379293184
Energy: 0.9726304076077493
Energy: 0.9544517379332903
Energy: 0.9726304076103973
Energy: 0.875129495788345
Energy: 0.9687773540505121
Energy: 0.875129495784373
Energy: 0.9687773540544842
Energy: 0.875129495787021
Energy: 0.9687773540564701
Energy: 0.9639145221272178
Energy: 0.9823903315082059
Energy: 0.9639145221239079
Energy: 0.9823903315088679
Energy: 0.9639145221252318
Energy: 0.9823903315088679
Energy: 0.9798768200732529
Energy: 0.9666283423122753
Energy: 0.9798768200805349
Energy: 0.9666283423030074
Energy: 0.979876820073915
Energy: 0.9666283423116132
Energy: 0.9659174755852679
Energy: 1.1470433018661679
Energy: 0.9659172453907363
Energy: 1.1470433018681538
Energy: 0.9659169031976381
Energy: 1.1470433018661679
Energy: 0.9269338195573164
Energy: 0.9809449365690359
Energy: 0.9269338195593024
Energy: 0.9809449365690359
Energy: 0.9269338195586405
Energy: 0.9809449365690359
Energy: 0.8860343591032471
Energy: 0.9666529977809112
Energy: 0.8860343591019231
Energy: 0.9666529977782633
Energy: 0.886034359102585
Energy: 0.9666529977809112

minimum gb energy = 0.8638015381488386 eV
minimum distance =  2.32758075255603 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.8726723645762439
Energy: 0.8141614337435181
Energy: 0.8726723645752792
Energy: 0.8141614337440005
Energy: 0.8726723645757616
Energy: 0.8141614337440005
Energy: 0.8058210579803188
Energy: 0.8159333627247
Energy: 0.8058210579808011
Energy: 0.8159333627247
Energy: 0.8058210579788716
Energy: 0.8159333627242177
Energy: 0.8756157286680039
Energy: 0.879815534205591
Energy: 0.8756157286670392
Energy: 0.879815534205591
Energy: 0.8756157286646713
Energy: 0.8798155342065556
Energy: 0.8294776740030654
Energy: 0.8614734285673803
Energy: 0.8294776740045124
Energy: 0.8614734285659333
Energy: 0.8294776740030654
Energy: 0.861473428562557
Energy: 0.8062846257740888
Energy: 0.7639104492289294
Energy: 0.8062846257726419
Energy: 0.7639104492308588
Energy: 0.8062846257726419
Energy: 0.7639104492308588
Energy: 0.8480267969026982
Energy: 0.8063831769091052
Energy: 0.84802679690511
Energy: 0.8063831769086228
Energy: 0.8480267969060745
Energy: 0.8063831769086228
Energy: 0.8099231517252063
Energy: 0.8440406946228787
Energy: 0.809923151726171
Energy: 0.8440406946243258
Energy: 0.809923151726171
Energy: 0.8440406946243258
Energy: 0.8084531607445185
Energy: 0.7713109045084149
Energy: 0.8084531607469301
Energy: 0.7713109045088972
Energy: 0.8084531607450007
Energy: 0.7713109045093796
Energy: 0.8130205407959809
Energy: 0.7938268589773361
Energy: 0.8130205407974279
Energy: 0.7938268589768537
Energy: 0.8130205407969455
Energy: 0.7938268589773361
Energy: 0.8970263588972188
Energy: 0.8071530016916361
Energy: 0.8970263588967364
Energy: 0.807153001688742
Energy: 0.897026358897701
Energy: 0.8071530016877775
Energy: 0.8858512468274069
Energy: 0.8702426657973735
Energy: 0.8858512468307831
Energy: 0.8702426657964089
Energy: 0.8858512468288537
Energy: 0.8702426657939972
Energy: 0.7757988581014983
Energy: 0.7962637094429936
Energy: 0.7757988581029451
Energy: 0.7962637094429936
Energy: 0.7757988581024629
Energy: 0.7962637094425113
Energy: 0.8961900026954727
Energy: 0.7740361457804202
Energy: 0.8961900026964373
Energy: 0.7740361457809026
Energy: 0.8961900026954727
Energy: 0.7740361457804202
Energy: 0.808334866515486
Energy: 0.8668866936791763
Energy: 0.8083348665150035
Energy: 0.8668866936777294
Energy: 0.8083348665121097
Energy: 0.8668866936796588
Energy: 0.8032980849323456
Energy: 0.7840254644096856
Energy: 0.8032980849337926
Energy: 0.7840254644092033
Energy: 0.8032980849337926
Energy: 0.7840254644096856
Energy: 0.8406160977136002
Energy: 0.8179223096211518
Energy: 0.840616097713118
Energy: 0.8179223096221165
Energy: 0.8406160977140825
Energy: 0.8179223096235635
Energy: 0.8141093168856409
Energy: 0.8593996089582774
Energy: 0.8141093168856409
Energy: 0.8593996089582774
Energy: 0.8141093168846762
Energy: 0.8593996089573128
Energy: 0.8266068911616812
Energy: 0.784994557606367
Energy: 0.8266068911621637
Energy: 0.7849945576073317
Energy: 0.8266068911611989
Energy: 0.7849945576068494
Energy: 0.8079488249926035
Energy: 0.877425358847282
Energy: 0.8079488249935681
Energy: 0.8774253588482467
Energy: 0.8079488249926035
Energy: 0.8774253588482467
Energy: 0.808679134114708
Energy: 0.7776057949028925
Energy: 0.8086791341151903
Energy: 0.7776057949028925
Energy: 0.8086791341156727
Energy: 0.7776057949033748
Energy: 0.8761347552544598
Energy: 0.8143636899445749
Energy: 0.8761347552597654
Energy: 0.8143636899440925
Energy: 0.876134755257836
Energy: 0.8143636899445749
Energy: 0.8397418937204038
Energy: 0.8807187560539671
Energy: 0.8397418937204038
Energy: 0.8807187560539671
Energy: 0.839741893719439
Energy: 0.8807187560539671
Energy: 0.8573957740644685
Energy: 0.8729174667127546
Energy: 0.8573957740639863
Energy: 0.8729174667127546
Energy: 0.8573957740639863
Energy: 0.8729174667127546
Energy: 0.836868742197121
Energy: 0.8138272194922301
Energy: 0.8368687421951918
Energy: 0.8138272194917479
Energy: 0.8368687421903686
Energy: 0.8138272194931949
Energy: 0.7684926721976953
Energy: 0.7703017411368149
Energy: 0.7684926721996246
Energy: 0.7703017411368149
Energy: 0.7684926721972128
Energy: 0.7703017411368149
Energy: 0.7865637489711407
Energy: 0.8562585080036114
Energy: 0.7865637489701761
Energy: 0.856258508003129
Energy: 0.7865637489711407
Energy: 0.8562585080040936
Energy: 0.8398459470760862
Energy: 0.7835346210602172
Energy: 0.8398459470746832
Energy: 0.7835346210606995
Energy: 0.8398459470760862
Energy: 0.7835346210602172
Energy: 0.7291844606377327
Energy: 0.7728473487315041
Energy: 0.7291844606372504
Energy: 0.7728473487286102
Energy: 0.7291844606377327
Energy: 0.7728473487295747
Energy: 0.7865190757875086
Energy: 0.8136313872640385
Energy: 0.7865190757875086
Energy: 0.8136313872650031
Energy: 0.7865190757870263
Energy: 0.8136313872645208
Energy: 0.7989657628300645
Energy: 0.7693134028420334
Energy: 0.7989657628281354
Energy: 0.7693134028410687
Energy: 0.7989657628286175
Energy: 0.7693134028410687
Energy: 0.7098135896730616
Energy: 0.7727234554905248
Energy: 0.7098135896730616
Energy: 0.7727234555016185
Energy: 0.7098135896730616
Energy: 0.7727234554982421
Energy: 0.7871081095851302
Energy: 0.7870796965277945
Energy: 0.7871081095851302
Energy: 0.7870796965282768
Energy: 0.7871081095846479
Energy: 0.7870796965277945
Energy: 0.7722229085342299
Energy: 0.770457018728203
Energy: 0.772222908532783
Energy: 0.7704570187306147
Energy: 0.7722229085332653
Energy: 0.7704570187291676
Energy: 0.8866583880626353
Energy: 0.8699358581552676
Energy: 0.8866583880664939
Energy: 0.8699358581557499
Energy: 0.8866583880674586
Energy: 0.8699358581557499
Energy: 0.7882323038191575
Energy: 0.7626638540229509
Energy: 0.7882323038177106
Energy: 0.7626638540234334
Energy: 0.788232303818675
Energy: 0.762663854024398
Energy: 0.7096044318319387
Energy: 0.7712506860054956
Energy: 0.7096044318329033
Energy: 0.7712506859963313
Energy: 0.7096044318319387
Energy: 0.7712506860040487

minimum gb energy = 0.7096044318319387 eV
minimum distance =  2.30423233483619 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.05626785040981499
Energy: 0.016309520229037425
Energy: 0.05626785040981499
Energy: 0.684883410470843
Energy: 0.017220272804834787
Energy: 0.684883410470843
Energy: 0.017220272804834787
Energy: 0.684883410470843
Energy: 0.017220272806606984
Energy: 0.6849088590447148
Energy: 0.01765407506603719
Energy: 0.6849088590447148
Energy: 0.017654075069581585
Energy: 0.6849088590447148
Energy: 0.01765407506780939
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.684883410470843
Energy: 0.017220272806606984
Energy: 0.684883410470843
Energy: 0.017220272811923575
Energy: 0.684883410470843
Energy: 0.017220272811923575
Energy: 0.6849088590447148
Energy: 0.017654075092600006
Energy: 0.6849088590447148
Energy: 0.017654075099688797
Energy: 0.6849088590429427
Energy: 0.017654075092600006
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.6848834104690709
Energy: 0.01722027279242941
Energy: 0.6848834104690709
Energy: 0.017220272801290393
Energy: 0.6848834104690709
Energy: 0.01722027280306259
Energy: 0.6849088590429427
Energy: 0.017654075119182964
Energy: 0.6849088590429427
Energy: 0.01765407512802381
Energy: 0.6849088590429427
Energy: 0.01765407511563857
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.056267850408042795
Energy: 0.016309520229037425
Energy: 0.05626785040981499

minimum gb energy = 0.016309520229037425 eV
minimum distance =  2.53129452225789 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.6426467480166722
Energy: 0.6919124484982091
Energy: 0.6426467480166722
Energy: 0.6919124484982091
Energy: 0.6426467480172027
Energy: 0.6919124484976787
Energy: 0.5547846801672018
Energy: 0.61003601749078
Energy: 0.5547846801682625
Energy: 0.6100360174913102
Energy: 0.5547846801687928
Energy: 0.61003601749078
Energy: 0.663902051353095
Energy: 0.6124023881110081
Energy: 0.6639020513541557
Energy: 0.6124023881110081
Energy: 0.6639020513520343
Energy: 0.6124023881115385
Energy: 0.6070969044815294
Energy: 0.6488692961370314
Energy: 0.6070969044836507
Energy: 0.6488692961370314
Energy: 0.6070969044820598
Energy: 0.6488692961370314
Energy: 0.5819951369152276
Energy: 0.6083814442943851
Energy: 0.5819951369178793
Energy: 0.6083814442949155
Energy: 0.5819951369189399
Energy: 0.6083814442938548
Energy: 0.6578637337863488
Energy: 0.6191184083477248
Energy: 0.6578637337858183
Energy: 0.6191184083482552
Energy: 0.6578637337858183
Energy: 0.6191184083471944
Energy: 0.6236722985929931
Energy: 0.6419583209218572
Energy: 0.6236722985935234
Energy: 0.6419583209239785
Energy: 0.6236722985929931
Energy: 0.6419583209271605
Energy: 0.5790535810830124
Energy: 0.6075021769287423
Energy: 0.5790535810840731
Energy: 0.6075021769287423
Energy: 0.5790535810835429
Energy: 0.6075021769287423
Energy: 0.6705858999455512
Energy: 0.6347169516582826
Energy: 0.6705858999455512
Energy: 0.6347169516577522
Energy: 0.670585899945021
Energy: 0.6347169516577522
Energy: 0.6243917106032254
Energy: 0.6363457364493277
Energy: 0.6243917106032254
Energy: 0.6363457364472064
Energy: 0.624391710602695
Energy: 0.6363457364498581
Energy: 0.6179288379935483
Energy: 0.6065400482064714
Energy: 0.6179288379977909
Energy: 0.6065400482070018
Energy: 0.6179288379972605
Energy: 0.6065400482064714
Energy: 0.6842762833227497
Energy: 0.684604759978004
Energy: 0.6842762833227497
Energy: 0.684604759974822
Energy: 0.6842762833216891
Energy: 0.6846047599758825
Energy: 0.6073457146701263
Energy: 0.5989379976092049
Energy: 0.6073457146690656
Energy: 0.5989379976086745
Energy: 0.6073457146695961
Energy: 0.5989379976086745
Energy: 0.6409032165360088
Energy: 0.5813777084382313
Energy: 0.6409032165322964
Energy: 0.581377708437701
Energy: 0.6409032165243415
Energy: 0.5813777084387617
Energy: 0.6335611378574513
Energy: 0.6606433308554626
Energy: 0.6335611378569209
Energy: 0.6606433308549323
Energy: 0.6335611378569209
Energy: 0.6606433308549323
Energy: 0.6083941160123223
Energy: 0.587429238175314
Energy: 0.6083941160117919
Energy: 0.5874292381747835
Energy: 0.6083941160123223
Energy: 0.5874292381742533
Energy: 0.6498368059240225
Energy: 0.6679068311058166
Energy: 0.6498368059240225
Energy: 0.6679068311058166
Energy: 0.649836805923492
Energy: 0.6679068311052863
Energy: 0.6508796677148564
Energy: 0.6231596471151443
Energy: 0.6508796677153866
Energy: 0.6231596471167352
Energy: 0.6508796677153866
Energy: 0.623159647116205
Energy: 0.6094610041216789
Energy: 0.5685104086900307
Energy: 0.60946100412327
Energy: 0.5685104086895003
Energy: 0.6094610041238002
Energy: 0.5685104086889701
Energy: 0.62974789825211
Energy: 0.6788546361819835
Energy: 0.6297478982526402
Energy: 0.6788546361814533
Energy: 0.62974789825211
Energy: 0.6788546361809228
Energy: 0.6475718293328444
Energy: 0.46349606452740144
Energy: 0.647571829332314
Energy: 0.4634960645268711
Energy: 0.647571829332314
Energy: 0.4634960645268711
Energy: 0.5831564482543838
Energy: 0.6215842598275405
Energy: 0.5831564482559748
Energy: 0.6215842598270103
Energy: 0.5831564482543838
Energy: 0.6215842598270103
Energy: 0.6557081174001902
Energy: 0.5822680276573144
Energy: 0.6557081173932958
Energy: 0.5822680276578449
Energy: 0.6557081173917049
Energy: 0.5822680276567842
Energy: 0.649779789353784
Energy: 0.4651347051573129
Energy: 0.6497797893543142
Energy: 0.46513470515837363
Energy: 0.649779789356966
Energy: 0.4651347051573129
Energy: 0.6072656051786357
Energy: 0.6480674609530463
Energy: 0.6072656051781055
Energy: 0.6480674609535768
Energy: 0.6072656051791661
Energy: 0.6480674609530463
Energy: 0.6596528003266476
Energy: 0.6076129282772644
Energy: 0.6596528003277083
Energy: 0.6076129282777948
Energy: 0.6596528003277083
Energy: 0.6076129282777948
Energy: 0.7382000238908565
Energy: 0.5673537479804686
Energy: 0.7382000238929779
Energy: 0.567353747980999
Energy: 0.7382000238924475
Energy: 0.5673537479804686
Energy: 0.624684589529531
Energy: 0.6774160315297431
Energy: 0.6246845895311219
Energy: 0.6774160315297431
Energy: 0.6246845895305916
Energy: 0.6774160315297431
Energy: 0.6592768566409819
Energy: 0.6079157876981447
Energy: 0.659276856642573
Energy: 0.607915787698675
Energy: 0.6592768566415123
Energy: 0.607915787698675
Energy: 0.738561171531182
Energy: 0.7093741320546999
Energy: 0.7385611715317123
Energy: 0.7093741320546999
Energy: 0.7385611715327729
Energy: 0.7093741320541695
Energy: 0.6515722874560461
Energy: 0.6726340234813374
Energy: 0.6515722874565765
Energy: 0.6726340234818678
Energy: 0.6515722874571067
Energy: 0.6726340234808071
Energy: 0.6346249721233181
Energy: 0.6189817288927595
Energy: 0.6346249721227878
Energy: 0.618981728892229
Energy: 0.6346249721233181
Energy: 0.618981728892229
Energy: 0.6289362669205287
Energy: 0.6673191530178014
Energy: 0.6289362669199983
Energy: 0.6673191530178014
Energy: 0.6289362669199983
Energy: 0.6673191530183317

minimum gb energy = 0.4634960645268711 eV
minimum distance =  2.36688111334787 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.8432973261306485
Energy: 0.829278830892975
Energy: 0.8432973261329155
Energy: 0.829278830892975
Energy: 0.8432973261321597
Energy: 0.8292788308922193
Energy: 0.8194417913143803
Energy: 0.830097616212166
Energy: 0.8194417913143803
Energy: 0.8300976162129216
Energy: 0.8194417913121134
Energy: 0.8300976162129216
Energy: 0.8829595040568199
Energy: 0.8283199550818302
Energy: 0.882959504054553
Energy: 0.8283199550818302
Energy: 0.8829595040568199
Energy: 0.8283199550810744
Energy: 0.8322283240965023
Energy: 0.8844677829594763
Energy: 0.8322283240965023
Energy: 0.8844677829594763
Energy: 0.8322283240957467
Energy: 0.884467782957965
Energy: 0.8270199819595898
Energy: 0.8281823898530097
Energy: 0.827019981961101
Energy: 0.8281823898530097
Energy: 0.8270199819595898
Energy: 0.828182389852254
Energy: 0.8740494812820815
Energy: 0.8268422233515903
Energy: 0.8740494812820815
Energy: 0.8268422233515903
Energy: 0.8740494812835927
Energy: 0.8268422233515903
Energy: 0.8274373630758204
Energy: 0.8586285757357974
Energy: 0.8274373630750648
Energy: 0.8586285757327747
Energy: 0.8274373630758204
Energy: 0.8586285757380644
Energy: 0.8658485102931209
Energy: 0.8317601115165085
Energy: 0.8658485102946324
Energy: 0.8317601115157529
Energy: 0.8658485102938765
Energy: 0.8317601115165085
Energy: 0.89627306887319
Energy: 0.8999913144157274
Energy: 0.8962730688724344
Energy: 0.8999913144157274
Energy: 0.8962730688739458
Energy: 0.8999913144149718
Energy: 0.823679064220176
Energy: 0.8156019514091677
Energy: 0.8236790642171533
Energy: 0.815601951408412
Energy: 0.8236790642186647
Energy: 0.815601951408412
Energy: 0.8683862438110093
Energy: 0.8324912633397582
Energy: 0.8683862438110093
Energy: 0.8324912633397582
Energy: 0.8683862438110093
Energy: 0.8324912633405137
Energy: 0.8239122275679274
Energy: 0.8561102729615321
Energy: 0.8239122275686831
Energy: 0.8561102729607766
Energy: 0.8239122275686831
Energy: 0.8561102729615321
Energy: 0.8230798704251274
Energy: 0.8223752512185246
Energy: 0.8230798704243717
Energy: 0.8223752512177689
Energy: 0.8230798704243717
Energy: 0.8223752512177689
Energy: 0.855192087998652
Energy: 0.8126689174288282
Energy: 0.855192087998652
Energy: 0.812668917426561
Energy: 0.8551920879978963
Energy: 0.8126689174280725
Energy: 0.8157996544843841
Energy: 0.8205769117752871
Energy: 0.8157996544851397
Energy: 0.8205769117760429
Energy: 0.8157996544851397
Energy: 0.8205769117760429
Energy: 0.8296379833923043
Energy: 0.8327146293239167
Energy: 0.8296379833915486
Energy: 0.8327146293239167
Energy: 0.8296379833930598
Energy: 0.8327146293239167
Energy: 0.8915151263586198
Energy: 0.8321128980796023
Energy: 0.8915151263571085
Energy: 0.8321128980796023
Energy: 0.8915151263578641
Energy: 0.832112898080358
Energy: 0.8144184449456194
Energy: 0.8156483041196286
Energy: 0.8144184449456194
Energy: 0.815648304118873
Energy: 0.8144184449471307
Energy: 0.815648304118873
Energy: 0.827636212329608
Energy: 0.8691986902871472
Energy: 0.827636212329608
Energy: 0.8691986902863916
Energy: 0.827636212329608
Energy: 0.8691986902871472
Energy: 0.8150309464550978
Energy: 0.8293954135576336
Energy: 0.8150309464566091
Energy: 0.8293954135576336
Energy: 0.8150309464550978
Energy: 0.8293954135576336
Energy: 0.8538543011301432
Energy: 0.8341604385090506
Energy: 0.853854301130899
Energy: 0.8341604385090506
Energy: 0.853854301133166
Energy: 0.8341604385082949
Energy: 0.8315527576071663
Energy: 0.901150365558591
Energy: 0.8315527576071663
Energy: 0.9011503655578355
Energy: 0.8315527576064449
Energy: 0.9011503655593468
Energy: 0.8714224016485671
Energy: 0.8286399979965354
Energy: 0.8714224016500784
Energy: 0.8286399979965354
Energy: 0.8714224016500784
Energy: 0.828639997997291

minimum gb energy = 0.812668917426561 eV
minimum distance =  2.38280686309926 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.9723915361312686
Energy: 0.9958126185584458
Energy: 0.9723915361307893
Energy: 0.9958126185584458
Energy: 0.9723915361312686
Energy: 0.9958126185589252
Energy: 0.9638519776142799
Energy: 0.9438199658562787
Energy: 0.9638519776138004
Energy: 0.9438199658567581
Energy: 0.9638519776142799
Energy: 0.9438199658562787
Energy: 0.9917550868151594
Energy: 0.958904674454185
Energy: 0.9917550868156387
Energy: 0.9589046744537056
Energy: 0.9917550868161181
Energy: 0.9589046744537056
Energy: 0.9627647593487146
Energy: 1.0537884796212311
Energy: 0.962764759349194
Energy: 1.0537884796207517
Energy: 0.9627647593496734
Energy: 1.0537884796202723
Energy: 0.9956044662518987
Energy: 0.9431858544697467
Energy: 0.9956044662523779
Energy: 0.9431858544697467
Energy: 0.9956044662518987
Energy: 0.9431858544692674
Energy: 1.0300559241859033
Energy: 0.9796226968151428
Energy: 1.030055924183986
Energy: 0.9796226968156222
Energy: 1.0300559241849447
Energy: 0.9796226968156222
Energy: 0.95760566285967
Energy: 1.0205981990212851
Energy: 0.9576056628591906
Energy: 1.020598199022723
Energy: 0.95760566285967
Energy: 1.0205981990222437
Energy: 1.0387681272326523
Energy: 0.9862972625107755
Energy: 1.0387681272321727
Energy: 0.9862972625107755
Energy: 1.038768127233611
Energy: 0.9862972625102963
Energy: 0.9705153498366742
Energy: 1.0131464317734389
Energy: 0.9705153498371536
Energy: 1.0131464317710417
Energy: 0.9705153498371536
Energy: 1.013146431773918
Energy: 0.9478503140292893
Energy: 0.9985943495686248
Energy: 0.9478503140283306
Energy: 0.9985943495686248
Energy: 0.9478503140288099
Energy: 0.9985943495686248
Energy: 1.023734364673625
Energy: 0.9426876653805458
Energy: 1.0237343646750632
Energy: 0.9426876653805458
Energy: 1.023734364673625
Energy: 0.9426876653800665
Energy: 0.9613088243329321
Energy: 0.9794939653882513
Energy: 0.9613088243329321
Energy: 0.9794939653887307
Energy: 0.9613088243334114
Energy: 0.9794939653882513
Energy: 0.9468220812438837
Energy: 0.9681967078977601
Energy: 0.9468220812443631
Energy: 0.9681967078977601
Energy: 0.9468220812438837
Energy: 0.9681967078977601
Energy: 0.970172942174135
Energy: 0.9595759120060147
Energy: 0.9701729421746144
Energy: 0.9595759120055353
Energy: 0.970172942174135
Energy: 0.9595759120060147
Energy: 0.9533961717973816
Energy: 0.9768484585663864
Energy: 0.9533961717959433
Energy: 0.9768484585663864
Energy: 0.9533961717959433
Energy: 0.9768484585663864
Energy: 0.9625163934201083
Energy: 1.0032867743568643
Energy: 0.9625163934191496
Energy: 1.0032867743568643
Energy: 0.9625163934201083
Energy: 1.0032867743554261
Energy: 0.9967669114164514
Energy: 0.9591874357304836
Energy: 0.9967669114150133
Energy: 0.9591874357304836
Energy: 0.9967669114159721
Energy: 0.9591874357300042
Energy: 0.9996398324949595
Energy: 1.038667921398417
Energy: 0.9996398324940007
Energy: 1.038667921399376
Energy: 0.9996398324925626
Energy: 1.0386679213998553
Energy: 0.9634568280458251
Energy: 1.022461678086635
Energy: 0.9634568280453457
Energy: 1.022461678086635
Energy: 0.9634568280453457
Energy: 1.0224616780871143
Energy: 1.0326639757284934
Energy: 0.9441159763131972
Energy: 1.0326639757323286
Energy: 0.9441159763131972
Energy: 1.0326639757332874
Energy: 0.9441159763136766
Energy: 0.9605505099538034
Energy: 1.0160257234844814
Energy: 0.9605505099523651
Energy: 1.0160257234844814
Energy: 0.9605505099533238
Energy: 1.0160257234849608
Energy: 0.9524929256206107
Energy: 0.9819398034117041
Energy: 0.9524929256215696
Energy: 0.9819398034117041
Energy: 0.9524929256210902
Energy: 0.9819398034117041
Energy: 1.0559038981649482
Energy: 0.9428576082807641
Energy: 1.0559038981601545
Energy: 0.9428576082817228
Energy: 1.0559038981606341
Energy: 0.9428576082807641
Energy: 0.9484735218989864
Energy: 0.9736429506134266
Energy: 0.9484735219018626
Energy: 0.9736429506129473
Energy: 0.9484735219023422
Energy: 0.9736429506129473
Energy: 0.9605642748744724
Energy: 0.9741094817739202
Energy: 0.9605642748735137
Energy: 0.9741094817739202
Energy: 0.9605642748735137
Energy: 0.9741094817739202
Energy: 1.025306892848841
Energy: 0.9710486757130654
Energy: 1.0253068928507585
Energy: 0.9710486757125861
Energy: 1.025306892846444
Energy: 0.9710486757130654
Energy: 0.9582934899813478
Energy: 0.9819336550123895
Energy: 0.958293489982786
Energy: 0.9819336550123895
Energy: 0.958293489982786
Energy: 0.9819336550123895
Energy: 0.9446076328741796
Energy: 1.0456326184695772
Energy: 0.9446076328737002
Energy: 1.0456326184686184
Energy: 0.9446076328737002
Energy: 1.045632618465742
Energy: 1.0381149378674592
Energy: 0.9429553435252532
Energy: 1.0381149378684182
Energy: 0.9429553435262121
Energy: 1.0381149378688974
Energy: 0.9429553435262121
Energy: 0.9619413647574555
Energy: 1.0284685575679116
Energy: 0.9619413647574555
Energy: 1.028468557564556
Energy: 0.9619413647588936
Energy: 1.0284685575626384
Energy: 1.0420799056592496
Energy: 1.0499669099682283
Energy: 1.0420799056578112
Energy: 1.04996690996679
Energy: 1.0420799056587702
Energy: 1.0499669099687077
Energy: 0.9959415015899339
Energy: 0.9439182438194579
Energy: 0.9959415015880162
Energy: 0.9439182438184991
Energy: 0.9959415015899339
Energy: 0.9439182438194579
Energy: 0.9644052388626547
Energy: 1.003234987351302
Energy: 0.9644052388631341
Energy: 1.003234987351302
Energy: 0.9644052388631341
Energy: 1.0032349873527402
Energy: 0.9572387504611819
Energy: 0.9448082313650067
Energy: 0.9572387504640582
Energy: 0.9448082313640478
Energy: 0.9572387504630995
Energy: 0.9448082313650067
Energy: 0.9725154570677025
Energy: 0.9593595261186478
Energy: 0.9725154570677025
Energy: 0.9593595261191272
Energy: 0.9725154570672232
Energy: 0.9593595261191272
Energy: 0.9485256133952576
Energy: 0.9570237859502486
Energy: 0.9485256133947783
Energy: 0.9570237859507281
Energy: 0.9485256133952576
Energy: 0.9570237859507281
Energy: 0.9642852979184972
Energy: 0.9670267790856434
Energy: 0.9642852979213735
Energy: 0.9670267790856434
Energy: 0.9642852979213735
Energy: 0.967026779086123

minimum gb energy = 0.9426876653800665 eV
minimum distance =  2.34795163529318 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.2017305007784786
Energy: 1.1975765689549827
Energy: 1.20173050077717
Energy: 1.197576568953674
Energy: 1.20173050077717
Energy: 1.1975765689562916
Energy: 1.2240550602942422
Energy: 1.1877841017778188
Energy: 1.2240550602942422
Energy: 1.1877841017778188
Energy: 1.2240550602929334
Energy: 1.1877841017778188
Energy: 1.314453859595904
Energy: 1.184699203219392
Energy: 1.314453859595904
Energy: 1.184699203219392
Energy: 1.314453859595904
Energy: 1.184699203219392
Energy: 1.177452120211707
Energy: 1.2874639860611286
Energy: 1.177452120211707
Energy: 1.2874639860611286
Energy: 1.177452120211707
Energy: 1.2874639860624373
Energy: 1.283948834172189
Energy: 1.2005431043252308
Energy: 1.2839488341708802
Energy: 1.2005431043252308
Energy: 1.2839488341708802
Energy: 1.2005431043252308
Energy: 1.2996590019572742
Energy: 1.2838862920068108
Energy: 1.2996590019559653
Energy: 1.283886292005502
Energy: 1.2996590019533474
Energy: 1.283886292005502
Energy: 1.189263189686176
Energy: 1.2249423492827871
Energy: 1.189263189686176
Energy: 1.2249423492827871
Energy: 1.189263189686176
Energy: 1.2249423492827871
Energy: 1.2303031375907418
Energy: 1.1881471866458515
Energy: 1.2303031375907418
Energy: 1.1881471866458515
Energy: 1.230303137589433
Energy: 1.1881471866458515
Energy: 1.2340332532502
Energy: 1.2275749728164151
Energy: 1.2340332532515088
Energy: 1.2275749728164151
Energy: 1.2340332532502
Energy: 1.2275749728164151
Energy: 1.1768447239016444
Energy: 1.2338613950257418
Energy: 1.1768447239016444
Energy: 1.2338613950257418
Energy: 1.1768447239016444
Energy: 1.2338613950257418
Energy: 1.2237036255491172
Energy: 1.1847375116073906
Energy: 1.2237036255478084
Energy: 1.1847375116073906
Energy: 1.2237036255478084
Energy: 1.1847375116073906
Energy: 1.238243843941146
Energy: 1.186161202381436
Energy: 1.2382438439398373
Energy: 1.186161202381436
Energy: 1.2382438439398373
Energy: 1.186161202381436
Energy: 1.208031889028668
Energy: 1.2867544249955873
Energy: 1.208031889029977
Energy: 1.2867544249942786
Energy: 1.208031889029977
Energy: 1.2867544249929699
Energy: 1.2837564801267898
Energy: 1.1879146764518924
Energy: 1.2837564801267898
Energy: 1.1879146764518924
Energy: 1.2837564801267898
Energy: 1.1879146764518924

minimum gb energy = 1.1768447239016444 eV
minimum distance =  2.35003810749177 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.4270945741408512
Energy: 1.4522456646728081
Energy: 1.4270945741368526
Energy: 1.4522456646728081
Energy: 1.4270945741425762
Energy: 1.4522456646728081
Energy: 1.426625227517984
Energy: 1.3865172083226103
Energy: 1.426625227516259
Energy: 1.3865172083231851
Energy: 1.426625227517984
Energy: 1.3865172083231851
Energy: 1.5090935925153504
Energy: 1.3957088355305218
Energy: 1.5090935925142004
Energy: 1.3957088355305218
Energy: 1.5090935925159255
Energy: 1.3957088355305218
Energy: 1.3919821248990782
Energy: 1.4786151869727961
Energy: 1.3919821248990782
Energy: 1.478615186972221
Energy: 1.3919821248996533
Energy: 1.4786151869727961
Energy: 1.5003776145348084
Energy: 1.4099066540592289
Energy: 1.5003776145348084
Energy: 1.4099066540592289
Energy: 1.5003776145348084
Energy: 1.4099066540592289
Energy: 1.3919516988679392
Energy: 1.4592578539751488
Energy: 1.3919516988656393
Energy: 1.4592578539757237
Energy: 1.3919516988662142
Energy: 1.4592578539751488
Energy: 1.3989880388543379
Energy: 1.50998449957508
Energy: 1.398988038854913
Energy: 1.509984499573355
Energy: 1.398988038854913
Energy: 1.50998449957508
Energy: 1.4669334835256655
Energy: 1.3916842345404585
Energy: 1.4669334835262406
Energy: 1.3916842345404585
Energy: 1.4669334835250907
Energy: 1.3916842345404585
Energy: 1.4726075958509894
Energy: 1.3904088295451897
Energy: 1.4726075958509894
Energy: 1.3904088295451897
Energy: 1.4726075958509894
Energy: 1.3904088295446144
Energy: 1.4082274858924642
Energy: 1.5080523191472528
Energy: 1.408227485891889
Energy: 1.5080523191472528
Energy: 1.408227485891889
Energy: 1.5080523191472528
Energy: 1.480943771774344
Energy: 1.4173596586285915
Energy: 1.480943771775494
Energy: 1.4173596586285915
Energy: 1.480943771773769
Energy: 1.4173596586285915
Energy: 1.4533068759266268
Energy: 1.4523170215134553
Energy: 1.4533068759272016
Energy: 1.4523170215140302
Energy: 1.4533068759260517
Energy: 1.4523170215134553
Energy: 1.392477414585921
Energy: 1.4830939202981648
Energy: 1.392477414585921
Energy: 1.4830939202981648
Energy: 1.392477414585921
Energy: 1.4830939202981648
Energy: 1.5220741226304795
Energy: 1.3876260393354942
Energy: 1.5220741226310543
Energy: 1.3876260393354942
Energy: 1.5220741226304795
Energy: 1.3876260393354942
Energy: 1.4553930514944076
Energy: 1.4153977320163729
Energy: 1.4553930514944076
Energy: 1.4153977320163729
Energy: 1.4553930514949824
Energy: 1.4153977320163729
Energy: 1.4208868085210862
Energy: 1.4747065281381477
Energy: 1.4208868085199362
Energy: 1.474706528139873
Energy: 1.4208868085199362
Energy: 1.4747065281392977
Energy: 1.4794083469602761
Energy: 1.4024909702791428
Energy: 1.4794083469597012
Energy: 1.402490970278568
Energy: 1.4794083469591262
Energy: 1.4024909702791428
Energy: 1.4418940856348688
Energy: 1.4554152012332688
Energy: 1.4418940856354436
Energy: 1.4554152012332688
Energy: 1.4418940856348688
Energy: 1.4554152012332688
Energy: 1.4011519995651094
Energy: 1.4491425236185593
Energy: 1.4011519995645347
Energy: 1.4491425236185593
Energy: 1.4011519995645347
Energy: 1.4491425236185593
Energy: 1.4751061620110362
Energy: 1.418536191238723
Energy: 1.4751061620064365
Energy: 1.418536191238723
Energy: 1.4751061620087362
Energy: 1.418536191238148
Energy: 1.404998812094779
Energy: 1.4707424292144957
Energy: 1.404998812094779
Energy: 1.4707424292144957
Energy: 1.404998812093629
Energy: 1.4707424292144957
Energy: 1.3918324128780732
Energy: 1.4819756766494494
Energy: 1.3918324128780732
Energy: 1.4819756766511745
Energy: 1.3918324128780732
Energy: 1.4819756766528993
Energy: 1.5012884810133964
Energy: 1.396873375297516
Energy: 1.5012884810133964
Energy: 1.3968733752980906
Energy: 1.5012884810145462
Energy: 1.3968733752980906
Energy: 1.4809602789537513
Energy: 1.3863775363244384
Energy: 1.4809602789531764
Energy: 1.3863775363244384
Energy: 1.4809602789543264
Energy: 1.3863775363238637
Energy: 1.4075404002619951
Energy: 1.48482381678043
Energy: 1.40754040026257
Energy: 1.48482381678043
Energy: 1.40754040026257
Energy: 1.48482381678043
Energy: 1.4665500251934138
Energy: 1.4195681840376375
Energy: 1.4665500251934138
Energy: 1.4195681840376375
Energy: 1.466550025195714
Energy: 1.4195681840376375
Energy: 1.4016717362446869
Energy: 1.5199755147030176
Energy: 1.4016717362446869
Energy: 1.519975514703593
Energy: 1.4016717362441118
Energy: 1.519975514703593
Energy: 1.3862478953980728
Energy: 1.458906236468459
Energy: 1.3862478953969228
Energy: 1.458906236468459
Energy: 1.3862478953969228
Energy: 1.458906236468459
Energy: 1.4779836678128193
Energy: 1.409555613541583
Energy: 1.4779836678093694
Energy: 1.409555613541583
Energy: 1.4779836678105194
Energy: 1.409555613541583
Energy: 1.4314068792307462
Energy: 1.3975398649518223
Energy: 1.4314068792295962
Energy: 1.3975398649518223
Energy: 1.431406879229021
Energy: 1.3975398649518223
Energy: 1.4034111006438355
Energy: 1.494851983384479
Energy: 1.4034111006449854
Energy: 1.4948519833821792
Energy: 1.4034111006438355
Energy: 1.4948519833810292

minimum gb energy = 1.3862478953969228 eV
minimum distance =  2.30459567491818 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.4853415315611311
Energy: 1.6665078568434484
Energy: 1.4853415315611311
Energy: 1.6665078568434484
Energy: 1.4853415315611311
Energy: 1.6665078568424252
Energy: 1.4828492884682405
Energy: 1.5147151007190263
Energy: 1.4828492884672173
Energy: 1.5147151007190263
Energy: 1.4828492884682405
Energy: 1.5147151007190263
Energy: 1.6215626246379613
Energy: 1.5115312607501994
Energy: 1.6215626246379613
Energy: 1.5115312607501994
Energy: 1.6215626246400079
Energy: 1.5115312607501994
Energy: 1.4736771817417735
Energy: 1.8486984853948147
Energy: 1.4736771817417735
Energy: 1.8486984853937918
Energy: 1.4736771817427965
Energy: 1.8486984853937918
Energy: 1.62151788808644
Energy: 1.5115453494958435
Energy: 1.6215178880843935
Energy: 1.5115453494958435
Energy: 1.6215178880884862
Energy: 1.5115453494958435
Energy: 1.482849376608646
Energy: 1.514579705694368
Energy: 1.482849376609669
Energy: 1.514579705694368
Energy: 1.482849376608646
Energy: 1.514579705694368
Energy: 1.4853415315611311
Energy: 1.6665078568444716
Energy: 1.4853415315621545
Energy: 1.6665078568434484
Energy: 1.4853415315621545
Energy: 1.6665078568434484
Energy: 1.4828492884661941
Energy: 1.5147151007200492
Energy: 1.4828492884661941
Energy: 1.5147151007190263
Energy: 1.4828492884672173
Energy: 1.5147151007190263
Energy: 1.6215626246400079
Energy: 1.511531260752246
Energy: 1.6215626246389843
Energy: 1.511531260752246
Energy: 1.6215626246400079
Energy: 1.511531260752246
Energy: 1.4736771817407504
Energy: 1.826401334866354
Energy: 1.4736771817417735
Energy: 1.8264013348643076
Energy: 1.4736771817417735
Energy: 1.8264013348643076
Energy: 1.62151788808644
Energy: 1.511545349496867
Energy: 1.6215178880843935
Energy: 1.511545349496867
Energy: 1.6215178880884862
Energy: 1.511545349496867
Energy: 1.4828493766106923
Energy: 1.5145797056953914
Energy: 1.482849376608646
Energy: 1.514579705694368
Energy: 1.482849376609669
Energy: 1.5145797056953914
Energy: 1.4853415315621545
Energy: 1.6665078568424252
Energy: 1.4853415315611311
Energy: 1.6665078568434484
Energy: 1.4853415315621545
Energy: 1.6665078568424252
Energy: 1.4828492884682405
Energy: 1.5147151007200492
Energy: 1.4828492884682405
Energy: 1.5147151007200492
Energy: 1.4828492884672173
Energy: 1.5147151007190263
Energy: 1.6215626246379613
Energy: 1.5115312607501994
Energy: 1.6215626246379613
Energy: 1.5115312607501994
Energy: 1.6215626246389843
Energy: 1.5115312607501994
Energy: 1.4736771817417735
Energy: 1.6700398113425978
Energy: 1.4736771817427965
Energy: 1.670039811344644
Energy: 1.4736771817417735
Energy: 1.6700398113456671
Energy: 1.6215178880874632
Energy: 1.5115453494958435
Energy: 1.6215178880833703
Energy: 1.5115453494958435
Energy: 1.6215178880895094
Energy: 1.5115453494958435

minimum gb energy = 1.4736771817407504 eV
minimum distance =  2.31148189657865 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.5439128984992454
Energy: 1.5651378679454104
Energy: 1.5439128985009167
Energy: 1.5651378679454104
Energy: 1.543912898501752
Energy: 1.5651378679445749
Energy: 1.5687098105869353
Energy: 1.5528227535367545
Energy: 1.5687098105860997
Energy: 1.5528227535375898
Energy: 1.5687098105860997
Energy: 1.5528227535367545
Energy: 1.6114096312488784
Energy: 1.524521831608073
Energy: 1.6114096312505493
Energy: 1.524521831608073
Energy: 1.6114096312505493
Energy: 1.5245218316089086
Energy: 1.4881266597890144
Energy: 1.6582662592251267
Energy: 1.48812665978985
Energy: 1.6582662592251267
Energy: 1.4881266597890144
Energy: 1.6582662592226205
Energy: 1.5644638813934246
Energy: 1.5238009938095665
Energy: 1.5644638813934246
Energy: 1.5238009938095665
Energy: 1.56446388139426
Energy: 1.5238009938095665
Energy: 1.6031950721365629
Energy: 1.5036739269032764
Energy: 1.6031950721373984
Energy: 1.5036739269024408
Energy: 1.6031950721399046
Energy: 1.5036739269032764
Energy: 1.4846362654044323
Energy: 1.61634369854245
Energy: 1.4846362654044323
Energy: 1.6163436985449562
Energy: 1.4846362654035967
Energy: 1.6163436985441209
Energy: 1.4810706096397972
Energy: 1.6030660634138956
Energy: 1.4810706096397972
Energy: 1.6030660634138956
Energy: 1.4810706096389619
Energy: 1.603066063414731
Energy: 1.6556774699661008
Energy: 1.5234307509254919
Energy: 1.6556774699677717
Energy: 1.5234307509246945
Energy: 1.6556774699661008
Energy: 1.5234307509254919
Energy: 1.4882602120354536
Energy: 1.5940277430910965
Energy: 1.4882602120354536
Energy: 1.5940277430910965
Energy: 1.4882602120362889
Energy: 1.5940277430902612
Energy: 1.5253327281682045
Energy: 1.5702032296333257
Energy: 1.5253327281673692
Energy: 1.5702032296341608
Energy: 1.5253327281665336
Energy: 1.5702032296333257
Energy: 1.626791558845831
Energy: 1.5034830315145937
Energy: 1.6267915588441602
Energy: 1.5034830315145937
Energy: 1.626791558847502
Energy: 1.5034830315137584
Energy: 1.482432333286273
Energy: 1.6336127036276633
Energy: 1.4824323332854374
Energy: 1.6336127036276633
Energy: 1.482432333286273
Energy: 1.6336127036276633
Energy: 1.5628854113584538
Energy: 1.6054548498560897
Energy: 1.5628854113584538
Energy: 1.6054548498560897
Energy: 1.5628854113584538
Energy: 1.6054548498560897
Energy: 1.6706928360142088
Energy: 1.5010031800772272
Energy: 1.6706928360167148
Energy: 1.5010031800772272
Energy: 1.6706928360158793
Energy: 1.501003180078063
Energy: 1.5409822284952692
Energy: 1.6316734866270757
Energy: 1.5409822284935986
Energy: 1.631673486622063
Energy: 1.5409822284935986
Energy: 1.6316734866287466
Energy: 1.540084096850161
Energy: 1.642200480376008
Energy: 1.540084096850161
Energy: 1.6422004803768435
Energy: 1.5400840968509963
Energy: 1.6422004803793497
Energy: 1.7742886119082077
Energy: 1.5033041105781961
Energy: 1.7742886119165617
Energy: 1.5033041105773606
Energy: 1.7742886119098782
Energy: 1.5033041105773606
Energy: 1.506019418630454
Energy: 1.617179563526448
Energy: 1.5060194186312894
Energy: 1.6171795635256125
Energy: 1.5060194186296187
Energy: 1.6171795635256125
Energy: 1.5317694400224902
Energy: 1.5498855807332874
Energy: 1.5317694400249964
Energy: 1.5498855807332874
Energy: 1.5317694400233257
Energy: 1.5498855807332874
Energy: 1.623026949768807
Energy: 1.5087896990824772
Energy: 1.623026949766301
Energy: 1.5087896990816416
Energy: 1.623026949766301
Energy: 1.5087896990816416

minimum gb energy = 1.4810706096389619 eV
minimum distance =  2.31684098609959 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5544249200821667
Energy: 1.5460121404701264
Energy: 1.5544249200807585
Energy: 1.5460121404708302
Energy: 1.554424920082871
Energy: 1.5460121404708302
Energy: 1.5609507306839476
Energy: 1.5202522951954416
Energy: 1.5609507306839476
Energy: 1.520252295196146
Energy: 1.5609507306846517
Energy: 1.520252295196146
Energy: 1.5760482534206501
Energy: 1.5281424723108863
Energy: 1.5760482534199458
Energy: 1.5281424723108863
Energy: 1.5760482534206501
Energy: 1.5281424723108863
Energy: 1.5501971173723574
Energy: 1.567602701575439
Energy: 1.550197117371653
Energy: 1.567602701583185
Energy: 1.550197117371653
Energy: 1.567602701575439
Energy: 1.515661436569611
Energy: 1.5151960386435095
Energy: 1.5156614365717238
Energy: 1.5151960386435095
Energy: 1.5156614365717238
Energy: 1.5151960386435095
Energy: 1.5263843125366285
Energy: 1.5215256533024226
Energy: 1.5263843125359244
Energy: 1.5215256533017183
Energy: 1.5263843125359244
Energy: 1.5215256533024226
Energy: 1.526867013572055
Energy: 1.54956136558476
Energy: 1.5268670135727596
Energy: 1.5495613655861684
Energy: 1.5268670135727596
Energy: 1.5495613655875768
Energy: 1.5591825218742013
Energy: 1.578986341733832
Energy: 1.5591825218749056
Energy: 1.5789863417359447
Energy: 1.5591825218756097
Energy: 1.578986341737353
Energy: 1.5635405710778478
Energy: 1.5225401626049986
Energy: 1.5635405710764392
Energy: 1.5225401626049986
Energy: 1.5635405710771435
Energy: 1.5225401626049986
Energy: 1.5194155020106532
Energy: 1.5336633186967439
Energy: 1.5194155020106532
Energy: 1.5336633186967439
Energy: 1.5194155020113576
Energy: 1.5336633186967439
Energy: 1.517502026836357
Energy: 1.5232167736459956
Energy: 1.517502026836357
Energy: 1.5232167736459956
Energy: 1.517502026836357
Energy: 1.5232167736467
Energy: 1.5558557204820198
Energy: 1.5210454465119116
Energy: 1.5558557204806114
Energy: 1.5210454465126158
Energy: 1.5558557204806114
Energy: 1.5210454465119116
Energy: 1.5810979217670684
Energy: 1.5479422105097589
Energy: 1.5810979217656604
Energy: 1.5479422105083507
Energy: 1.5810979217670684
Energy: 1.5479422105097589
Energy: 1.5271898017670704
Energy: 1.5239534138610173
Energy: 1.5271898017677747
Energy: 1.5239534138617217
Energy: 1.5271898017677747
Energy: 1.5239534138617217
Energy: 1.5233006162545006
Energy: 1.5215950095966788
Energy: 1.5233006162537965
Energy: 1.5215950095966788
Energy: 1.5233006162537965
Energy: 1.5215950095980872
Energy: 1.5203932990666074
Energy: 1.514654620886291
Energy: 1.52039329906872
Energy: 1.514654620886291
Energy: 1.520393299069424
Energy: 1.5146546208855864
Energy: 1.5530284895621638
Energy: 1.5831132723010912
Energy: 1.553028489562868
Energy: 1.5831132722996826
Energy: 1.5530284895621638
Energy: 1.5831132722989785
Energy: 1.5499523245717206
Energy: 1.5284959413132566
Energy: 1.549952324573129
Energy: 1.5284959413132566
Energy: 1.549952324572425
Energy: 1.5284959413125525
Energy: 1.5384810361465933
Energy: 1.5202427566318868
Energy: 1.5384810361465933
Energy: 1.5202427566318868
Energy: 1.5384810361465933
Energy: 1.5202427566318868
Energy: 1.554424920082871
Energy: 1.5460121404736473
Energy: 1.5544249200807585
Energy: 1.5460121404736473
Energy: 1.554424920082871
Energy: 1.5460121404736473
Energy: 1.5609507306804264
Energy: 1.520252295193329
Energy: 1.5609507306797223
Energy: 1.520252295192625
Energy: 1.5609507306797223
Energy: 1.520252295193329
Energy: 1.5760482534220581
Energy: 1.5281424723101822
Energy: 1.5760482534213542
Energy: 1.5281424723101822
Energy: 1.5760482534220581
Energy: 1.5281424723101822
Energy: 1.5501971173744702
Energy: 1.5676027015775515
Energy: 1.5501971173744702
Energy: 1.5676027015775515
Energy: 1.5501971173737659
Energy: 1.5676027015775515
Energy: 1.5156614365682028
Energy: 1.5151960386399883
Energy: 1.515661436573132
Energy: 1.5151960386399883
Energy: 1.515661436573132
Energy: 1.5151960386399883
Energy: 1.5263843125394454
Energy: 1.5215256532981976
Energy: 1.5263843125387413
Energy: 1.5215256532974932
Energy: 1.5263843125380372
Energy: 1.5215256532981976

minimum gb energy = 1.5146546208855864 eV
minimum distance =  2.32635311344092 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.54498577426443
Energy: 1.5071587535038253
Energy: 1.5449857742662534
Energy: 1.5071587535062567
Energy: 1.5449857742656459
Energy: 1.507158753505041
Energy: 1.5053289976420317
Energy: 1.4969149786792282
Energy: 1.5053289976414237
Energy: 1.4969149786792282
Energy: 1.5053289976414237
Energy: 1.4969149786792282
Energy: 1.520312675057359
Energy: 1.4797841137823107
Energy: 1.5203126750561433
Energy: 1.4797841137823107
Energy: 1.520312675057359
Energy: 1.479784113781703
Energy: 1.4841185864729074
Energy: 1.5160149229937798
Energy: 1.4841185864729074
Energy: 1.5160149229937798
Energy: 1.4841185864735151
Energy: 1.5160149229931716
Energy: 1.4903654469418444
Energy: 1.5259788255284992
Energy: 1.4903654469412366
Energy: 1.5259788255297146
Energy: 1.4903654469418444
Energy: 1.525978825529107
Energy: 1.5263054759790295
Energy: 1.499203512061123
Energy: 1.5263054759790295
Energy: 1.499203512061123
Energy: 1.5263054759784218
Energy: 1.499203512061123
Energy: 1.4796006269902509
Energy: 1.5110836329412802
Energy: 1.4796006269908588
Energy: 1.5110836329400645
Energy: 1.4796006269902509
Energy: 1.511083632939457
Energy: 1.4892589529791296
Energy: 1.5212110609551064
Energy: 1.4892589529797373
Energy: 1.521211060953283
Energy: 1.4892589529791296
Energy: 1.5212110609551064
Energy: 1.5823195921486164
Energy: 1.4790773061978726
Energy: 1.5823195921522635
Energy: 1.4790773061978726
Energy: 1.5823195921467925
Energy: 1.479077306199088
Energy: 1.504177813102158
Energy: 1.5120325419815615
Energy: 1.504177813102158
Energy: 1.512032541983385
Energy: 1.504177813102158
Energy: 1.5120325419827774
Energy: 1.4848993728986324
Energy: 1.5688852326816087
Energy: 1.4848993728986324
Energy: 1.5688852326810008
Energy: 1.4848993728980246
Energy: 1.5688852326822165
Energy: 1.5408434821046264
Energy: 1.4823938770474498
Energy: 1.5408434821040187
Energy: 1.4823938770419793
Energy: 1.5408434821040187
Energy: 1.4823938770413714
Energy: 1.4826045672385701
Energy: 1.4986689938617952
Energy: 1.4826045672385701
Energy: 1.4986689938611872
Energy: 1.482604567239178
Energy: 1.4986689938611872
Energy: 1.4838359326730193
Energy: 1.5094305870304752
Energy: 1.4838359326724115
Energy: 1.5094305870304752
Energy: 1.4838359326730193
Energy: 1.5094305870310833
Energy: 1.527252058116148
Energy: 1.4801433626899878
Energy: 1.5272520581197953
Energy: 1.4801433626899878
Energy: 1.5272520581185793
Energy: 1.4801433626893798
Energy: 1.542617429683347
Energy: 1.4717232764883907
Energy: 1.5426174296803077
Energy: 1.4717232764889985
Energy: 1.5426174296821311
Energy: 1.4717232764883907
Energy: 1.485359968851208
Energy: 1.5427614550584383
Energy: 1.485359968851816
Energy: 1.5427614550584383
Energy: 1.485359968851208
Energy: 1.5427614550578306
Energy: 1.542406994108712
Energy: 1.5105734533873951
Energy: 1.5424069941099279
Energy: 1.5105734533819244
Energy: 1.54240699410932
Energy: 1.5105734533819244
Energy: 1.52718868376448
Energy: 1.500573913808035
Energy: 1.5271886837632642
Energy: 1.500573913808035
Energy: 1.5271886837632642
Energy: 1.500573913808035
Energy: 1.4824789434456391
Energy: 1.5285990839157946
Energy: 1.4824789434450312
Energy: 1.528599083913971
Energy: 1.4824789434456391
Energy: 1.5285990839133632
Energy: 1.4739323125217703
Energy: 1.5471767012867965
Energy: 1.4739323125217703
Energy: 1.5471767012867965
Energy: 1.4739323125211625
Energy: 1.5471767012861888
Energy: 1.5848495057782326
Energy: 1.4701978634802972
Energy: 1.5848495252897192
Energy: 1.4701978634802972
Energy: 1.5848495252696877
Energy: 1.4701978634802972
Energy: 1.5206264233497897
Energy: 1.521136747848879
Energy: 1.5206264233485742
Energy: 1.5211367478482711
Energy: 1.5206264233479663
Energy: 1.521136747848879
Energy: 1.5224190597195106
Energy: 1.5136209109317904
Energy: 1.5224190597189027
Energy: 1.5136209109360454
Energy: 1.5224190597195106
Energy: 1.5136209109354377
Energy: 1.5048943859976363
Energy: 1.4792607384772303
Energy: 1.5048943859958126
Energy: 1.4792607384778382
Energy: 1.504894385998244
Energy: 1.4792607384772303
Energy: 1.5029195995787303
Energy: 1.4908615995571135
Energy: 1.5029195995787303
Energy: 1.4908615995565055
Energy: 1.5029195995781226
Energy: 1.4908615995565055
Energy: 1.4704809059808508
Energy: 1.5492458748464537
Energy: 1.4704809059808508
Energy: 1.5492458748458457
Energy: 1.4704809059808508
Energy: 1.5492458748470617
Energy: 1.5207427760786165
Energy: 1.49704482724154
Energy: 1.5207427760816559
Energy: 1.49704482724154
Energy: 1.5207427760780088
Energy: 1.49704482724154
Energy: 1.4749077235623005
Energy: 1.5029272965833786
Energy: 1.474907723564124
Energy: 1.5029272965833786
Energy: 1.4749077235647319
Energy: 1.5029272965833786

minimum gb energy = 1.4701978634802972 eV
minimum distance =  2.27152190887585 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.5090947055676767
Energy: 1.47738451007323
Energy: 1.5090947055676767
Energy: 1.4773845100737644
Energy: 1.5090947055666082
Energy: 1.47738451007323
Energy: 1.4732959124070915
Energy: 1.4485473235005177
Energy: 1.4732959124070915
Energy: 1.4485473234999833
Energy: 1.473295912407626
Energy: 1.4485473235005177
Energy: 1.4672679268399489
Energy: 1.448431606189438
Energy: 1.4672679268404833
Energy: 1.448431606188369
Energy: 1.4672679268404833
Energy: 1.4484316061899722
Energy: 1.425119843851192
Energy: 1.4905141043257588
Energy: 1.4251198438506576
Energy: 1.4905141043225527
Energy: 1.425119843851192
Energy: 1.4905141043220183
Energy: 1.4382380626719709
Energy: 1.4573940272210673
Energy: 1.4382380626709022
Energy: 1.4573940272205328
Energy: 1.4382380626714366
Energy: 1.4573940272210673
Energy: 1.4429533590388486
Energy: 1.4463709346669589
Energy: 1.4429533590383141
Energy: 1.4463709346658902
Energy: 1.4429533590388486
Energy: 1.4463709346658902
Energy: 1.4386462593574658
Energy: 1.4769671437219565
Energy: 1.4386462593558629
Energy: 1.4769671437219565
Energy: 1.4386462593563973
Energy: 1.476967143722491
Energy: 1.4331659673375827
Energy: 1.5065974562134383
Energy: 1.4331659673365138
Energy: 1.506597456212904
Energy: 1.4331659673370483
Energy: 1.5065974562134383
Energy: 1.4439818752763736
Energy: 1.4425949430479903
Energy: 1.4439818752769078
Energy: 1.4425949430479903
Energy: 1.443981875277442
Energy: 1.4425949430485245
Energy: 1.4541461302733696
Energy: 1.4478364301184676
Energy: 1.4541461302744385
Energy: 1.4478364301184676
Energy: 1.4541461302739038
Energy: 1.4478364301206048
Energy: 1.4374794925881738
Energy: 1.646866635844231
Energy: 1.4374794925887082
Energy: 1.646866635847437
Energy: 1.4374794925876393
Energy: 1.6468666358447654
Energy: 1.4823120430244747
Energy: 1.4486347020574375
Energy: 1.482312043025009
Energy: 1.4486347020579717
Energy: 1.4823120430255434
Energy: 1.4486347020574375
Energy: 1.429710523850813
Energy: 1.4472726796703776
Energy: 1.4297105238497443
Energy: 1.4472726796703776
Energy: 1.4297105238497443
Energy: 1.447272679670912
Energy: 1.4564842304080128
Energy: 1.5024224012802416
Energy: 1.4564842304090817
Energy: 1.5024224012818446
Energy: 1.4564842304101502
Energy: 1.5024224012818446
Energy: 1.4532023491765067
Energy: 1.4530217051714014
Energy: 1.4532023491743695
Energy: 1.4530217051708672
Energy: 1.4532023491759727
Energy: 1.4530217051708672
Energy: 1.4680790661361067
Energy: 1.4463979831755969
Energy: 1.4680790661366412
Energy: 1.4463979831750624
Energy: 1.4680790661339693
Energy: 1.4463979831755969
Energy: 1.4253035089465151
Energy: 1.494035942294339
Energy: 1.4253035089465151
Energy: 1.4940359422938048
Energy: 1.4253035089459807
Energy: 1.4940359422954077
Energy: 1.4311386009304718
Energy: 1.4492152921508068
Energy: 1.4311386009310059
Energy: 1.449215292151341
Energy: 1.4311386009304718
Energy: 1.4492152921502723
Energy: 1.4429902872683569
Energy: 1.443009146664865
Energy: 1.4429902872694256
Energy: 1.443009146664865
Energy: 1.4429902872688913
Energy: 1.443009146664865
Energy: 1.454462087274285
Energy: 1.442442714178626
Energy: 1.454462087275888
Energy: 1.4424427141812977
Energy: 1.454462087274285
Energy: 1.442442714181832
Energy: 1.4336509109997262
Energy: 1.6199208020001048
Energy: 1.4336509109997262
Energy: 1.619920801999036
Energy: 1.433650910999192
Energy: 1.619920801999036
Energy: 1.509970081135713
Energy: 1.439981632936406
Energy: 1.5099700811346444
Energy: 1.439981632936406
Energy: 1.509970081135713
Energy: 1.439981632935872
Energy: 1.50157937222196
Energy: 1.4464465117407312
Energy: 1.5015793722214257
Energy: 1.4464465117407312
Energy: 1.5015793722230286
Energy: 1.4464465117407312
Energy: 1.4252957387273602
Energy: 1.582087294345407
Energy: 1.4252957387284289
Energy: 1.582087294345407
Energy: 1.4252957387278944
Energy: 1.5820872943464754
Energy: 1.4821664322808343
Energy: 1.452450829742432
Energy: 1.4821664322813688
Energy: 1.4524508297429661
Energy: 1.4821664322808343
Energy: 1.4524508297429661
Energy: 1.4312314092661227
Energy: 1.4467379322006824
Energy: 1.4312314092666572
Energy: 1.4467379321990792
Energy: 1.4312314092666572
Energy: 1.4467379322012166
Energy: 1.4591771756350063
Energy: 1.503268201323176
Energy: 1.459177175634472
Energy: 1.503268201323176
Energy: 1.4591771756355405
Energy: 1.5032682013226417
Energy: 1.458638209128775
Energy: 1.4512067220261766
Energy: 1.4586382091293095
Energy: 1.4512067220267109
Energy: 1.4586382091303782
Energy: 1.4512067220277798
Energy: 1.5841110334542237
Energy: 1.4420156096111523
Energy: 1.5841110334542237
Energy: 1.4420156096191674
Energy: 1.5841110334547575
Energy: 1.4420156096148926
Energy: 1.429780335651842
Energy: 1.4512857413762998
Energy: 1.4297803356513075
Energy: 1.4512857413762998
Energy: 1.429780335651842
Energy: 1.4512857413762998
Energy: 1.4333095432178853
Energy: 1.463839011809059
Energy: 1.4333095432178853
Energy: 1.4638390118085245
Energy: 1.4333095432173506
Energy: 1.4638390118085245
Energy: 1.5110685907949095
Energy: 1.438719523756595
Energy: 1.5110685907949095
Energy: 1.4387195237560604
Energy: 1.5110685907938406
Energy: 1.4387195237560604
Energy: 1.5054006761214267
Energy: 1.4445873570174563
Energy: 1.5054006761203578
Energy: 1.4445873570174563
Energy: 1.505400676121961
Energy: 1.4445873570174563

minimum gb energy = 1.4251198438506576 eV
minimum distance =  2.28520349963786 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015324625319011716
Energy: 0.9116921921232022
Energy: 0.015324625319011716
Energy: 0.9116921921232022
Energy: 0.015324625319011716
Energy: 0.9116921921236463
Energy: 0.01619199572506473
Energy: 0.2852047928341406
Energy: 0.01619199572506473
Energy: 0.2852047928341406
Energy: 0.016191995724645438
Energy: 0.28520479283369665
Energy: 1.0657947262045788
Energy: 0.28480585725055163
Energy: 1.065794726206305
Energy: 0.2848057995698242
Energy: 1.065794726206305
Energy: 0.28480589223935654
Energy: 0.01619199572420147
Energy: 0.2852047928332773
Energy: 0.01619199572420147
Energy: 0.28520479283369665
Energy: 0.01619199572420147
Energy: 0.2852047928341406

minimum gb energy = 0.015324625319011716 eV
minimum distance =  2.53901415894962 Angstroms
sigma value = 1