Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150153368711472
cohesive_energy=6.8105384573284145
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.95090349237864e-21, 3.16369002502908e-20, 1.0797388771852798e-19, 2.3108994680499e-19, 3.69497179686348e-19, 4.95683009203554e-19, 6.0077618333415e-19, 6.865535159652419e-19, 7.572767969432699e-19, 8.16592580287218e-19, 8.669826376031519e-19, 9.100026824026858e-19, 9.466364511390958e-19, 9.775937080612439e-19, 1.0034784737601478e-18, 1.02486432747078e-18, 1.04231203101504e-18, 1.0563599157419519e-18, 1.06750625858469e-18, 1.076209282060578e-18, 1.082821465029096e-18, 1.087459766384526e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.0869999416905678e-18, 1.081334645112744e-18, 1.072679686935876e-18, 1.060669770887412e-18, 1.0448691049229039e-18, 1.02472013157372e-18, 9.99561151890018e-19, 9.685846688482618e-19, 9.307957307587379e-19, 8.849462420235598e-19, 8.29466069541408e-19, 7.6236370775622e-19, 6.810997067031059e-19, 5.824536913477259e-19, 4.623064655640659e-19, 3.15359631223488e-19, 1.3463763169688279e-19, -8.944920104089319e-20, -3.7107051714093597e-19, -7.32672170374932e-19, -1.2103659403319339e-18]
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: -9.5367431640625e-07 eV

========================================
theta = 0.0
========================================

Energy: 0.017294408910713672
Energy: 1.5802332188017858
Energy: 2.8808636287212557
Energy: 0.017683365077138184
Energy: 1.5802332188010055
Energy: 0.2361903264756951
Energy: 1.5703403344198081
Energy: 0.23619032647652108
Energy: 2.8808636188346175
Energy: 1.5703403344198081
Energy: 1.9611473646891806
Energy: 1.5703403344198081
Energy: 0.01768336507874426
Energy: 0.23619032647652108
Energy: 1.5703403344198081
Energy: 0.2361903264756951

minimum gb energy = 0.017294408910713672 eV
minimum distance =  2.68105035033625 Angstroms
sigma value = 1


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

Energy: 3.1435988070958105
Energy: 1.6146303310501533
Energy: 1.600990156190733
Energy: 1.6246358359111122
Energy: 2.910251224142348
Energy: 1.5153715351686383
Energy: 1.5328694567308367
Energy: 1.5153715351706418
Energy: 2.9346094394049373
Energy: 1.4771293617758878
Energy: 1.4750778153749624
Energy: 1.4771293617748862
Energy: 2.928554891855367
Energy: 1.5104052285178962
Energy: 1.4750970793035225
Energy: 1.5104052285178962
Energy: 2.913925789995394
Energy: 1.4777296577505665
Energy: 2.1112428928093596
Energy: 1.4777296577575787
Energy: 2.929546963297446
Energy: 1.7282434698578168
Energy: 1.9686145124788614
Energy: 1.7282434698588185
Energy: 2.5001875969716187
Energy: 1.8038489541989133
Energy: 2.024332187101882
Energy: 1.803848954195908
Energy: 2.5156244936287986
Energy: 1.8054088470892247
Energy: 1.960825674748301
Energy: 1.8054088470902263
Energy: 2.4600060821311964
Energy: 1.6994587134817183
Energy: 2.2219609007256453
Energy: 1.6994587134787131
Energy: 2.5143594075379374
Energy: 1.7420498890077023
Energy: 2.526064538645718
Energy: 1.7420498890097063
Energy: 2.550007477441446
Energy: 1.803980777644299
Energy: 2.359256914097263
Energy: 1.8039807776432972
Energy: 1.9622191226039298
Energy: 1.8042289194718841
Energy: 2.5088850393083084
Energy: 1.8042289194718841
Energy: 2.0427436109053243
Energy: 1.7107097914211709
Energy: 2.5029549563765063
Energy: 1.7107097914191676
Energy: 1.9931538197059895
Energy: 1.6754695219986533
Energy: 2.9307861244763806
Energy: 1.6754695219996552
Energy: 2.020765471317206
Energy: 1.4777589030656506
Energy: 3.154401640073672
Energy: 1.4777589030716611
Energy: 1.511637001754658
Energy: 1.510691446465219
Energy: 2.9667900189402685
Energy: 1.510691446465219
Energy: 1.4770518930713492
Energy: 1.4773763842729106
Energy: 2.912146114938141
Energy: 1.4773763842739123
Energy: 1.5669939458916198
Energy: 1.516399795072544
Energy: 2.9018353532631593
Energy: 1.5163997950665338
Energy: 1.5677553500626842
Energy: 1.477206522487648
Energy: 3.388290606277918
Energy: 1.4772065224856443
Energy: 1.7594294720587451
Energy: 1.5657212749151899
Energy: 2.922172862156865
Energy: 1.5657212749171932
Energy: 1.6445272238371011
Energy: 1.6000782521794652
Energy: 2.914214211068329
Energy: 1.6000782521784636
Energy: 1.6482817630718105
Energy: 1.4767443988706395
Energy: 2.8306440108255106
Energy: 1.4767443988736448
Energy: 1.6464239122605249
Energy: 1.478167171043364
Energy: 2.921760792047854
Energy: 1.478167171043364
Energy: 2.271813312189882
Energy: 1.4798611146915432
Energy: 2.8245700301088665
Energy: 1.4798611146915432
Energy: 2.234698963421635
Energy: 1.8853165103633673
Energy: 2.708817842952296
Energy: 1.8853165103623652
Energy: 2.2404700403258815
Energy: 1.8849929745906582
Energy: 2.2515862754235396
Energy: 1.8849929745856497
Energy: 2.2471849329870417
Energy: 1.7076625322155532
Energy: 2.4703495014688404
Energy: 1.7076625322165548
Energy: 2.803562996634989
Energy: 1.8920875727623203
Energy: 2.2499147157553603
Energy: 1.8920875727593147
Energy: 2.633399210929139
Energy: 1.4776070945524025
Energy: 2.249287463192352
Energy: 1.4776070945504445
Energy: 2.6323756697732765
Energy: 1.4767383281766153
Energy: 1.700246305148846
Energy: 1.4767383281766153
Energy: 2.8059192078524964
Energy: 1.645061762540106
Energy: 1.6594766461219268
Energy: 1.645061762540106
Energy: 2.9128752839058607
Energy: 1.6788420842082405
Energy: 1.6996178470119276
Energy: 1.6788420842082405
Energy: 2.9225601699746138
Energy: 1.5328523050441727
Energy: 1.8042199462874031
Energy: 1.5328523050431708

minimum gb energy = 1.4750778153749624 eV
minimum distance =  2.54280533399955 Angstroms
sigma value = 1


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

Energy: 3.49065371189697
Energy: 1.5234623060797923
Energy: 1.5233525993867163
Energy: 1.7332094536641125
Energy: 2.85339817106243
Energy: 1.5226191332516006
Energy: 1.655726824518706
Energy: 1.5226191332516006
Energy: 2.855603901088922
Energy: 1.5217936919826769
Energy: 1.5214126543768296
Energy: 1.5217936919838189
Energy: 2.8552131413701844
Energy: 1.5223510122493815
Energy: 1.5227294360399994
Energy: 1.5223510122482393
Energy: 2.9297565896364572
Energy: 1.5233146317385227
Energy: 1.7567330816541642
Energy: 1.523314631729437
Energy: 2.855760231761585
Energy: 1.5223173650927322
Energy: 1.934222989308538
Energy: 1.5223173650927322
Energy: 2.8946956926002896
Energy: 1.7653804833287658
Energy: 1.884655007893928
Energy: 1.7653804833299083
Energy: 2.5939573632822728
Energy: 1.76601295214786
Energy: 1.9400830557638604
Energy: 1.76601295214786
Energy: 2.96635473335918
Energy: 1.766202494308741
Energy: 1.9379029545096913
Energy: 1.7662024943098833
Energy: 2.5913674378568308
Energy: 1.7650731988743888
Energy: 2.5462135994795605
Energy: 1.7650731988732467
Energy: 2.352565260828688
Energy: 1.7661716604032838
Energy: 2.412640718115937
Energy: 1.7661716604009996
Energy: 2.007342122480721
Energy: 1.7653599850256894
Energy: 2.2088936488033215
Energy: 1.7653599850256894
Energy: 1.976083979037838
Energy: 1.7654452286314166
Energy: 2.5522060095938834
Energy: 1.7654452286302746
Energy: 2.012063978172202
Energy: 1.7657488214526547
Energy: 2.8910143624277693
Energy: 1.765748821454939
Energy: 2.0064933183552154
Energy: 1.6579488181745066
Energy: 2.796561585209057
Energy: 1.6579488181745066
Energy: 1.656211583604255
Energy: 1.5227961669194054
Energy: 2.8625476982038105
Energy: 1.5227961669194054
Energy: 1.523118402029351
Energy: 1.5213934770870314
Energy: 2.892440983214253
Energy: 1.5213934770858892
Energy: 1.5226982725562375
Energy: 1.5220171815050398
Energy: 2.85560010617069
Energy: 1.5220171815061299
Energy: 1.6561906212376878
Energy: 1.523975915189368
Energy: 2.9323353316566427
Energy: 1.52397591519051
Energy: 2.0486655321235485
Energy: 1.523355904295131
Energy: 2.8556825687346215
Energy: 1.523355904293989
Energy: 1.8818705084072265
Energy: 1.7656080056263401
Energy: 2.8534358521211316
Energy: 1.765608005627482
Energy: 1.8866025195955594
Energy: 1.7660974445514352
Energy: 2.5909694721004066
Energy: 1.7660974445514352
Energy: 1.9368951196480795
Energy: 1.7661565250379445
Energy: 2.971865115346741
Energy: 1.7661565250379445
Energy: 2.549972302335803
Energy: 1.766126490103535
Energy: 2.5944666664746414
Energy: 1.766126490102393
Energy: 2.2072742677700528
Energy: 1.7658366844699727
Energy: 2.5892280878111604
Energy: 1.7658366844699727
Energy: 2.2104860437259854
Energy: 1.765281555336389
Energy: 2.010427439254138
Energy: 1.765281555336389
Energy: 2.55027912226884
Energy: 1.9228114523510185
Energy: 1.9705430374924142
Energy: 1.9228114523521604
Energy: 2.8906289099136657
Energy: 1.7653306173216927
Energy: 2.0092804612601394
Energy: 1.7653306173216927
Energy: 2.7981254999166074
Energy: 1.6573233293544323
Energy: 2.0054579160332326
Energy: 1.6573233293544323

minimum gb energy = 1.5213934770858892 eV
minimum distance =  2.58521852601385 Angstroms
sigma value = 25


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

Energy: 3.3041996956491047
Energy: 1.8097651994560824
Energy: 1.7410596340232183
Energy: 1.7813582818806637
Energy: 2.702577004916776
Energy: 1.6674662512257896
Energy: 1.8178750455376758
Energy: 1.6674662512244618
Energy: 2.712106985723728
Energy: 1.6322687812389427
Energy: 1.6326820278335297
Energy: 1.6322687812376147
Energy: 2.711339479082068
Energy: 1.659034942796572
Energy: 1.7410924899576172
Energy: 1.659034942796572
Energy: 2.9943924993900612
Energy: 1.632292719181591
Energy: 2.3215931791247337
Energy: 1.6322927191802632
Energy: 2.71120200265535
Energy: 1.6587676883241973
Energy: 2.2692653300083947
Energy: 1.658767688325525
Energy: 2.7120675609167253
Energy: 1.9608040502390813
Energy: 2.282309655847341
Energy: 1.9608040502390813
Energy: 2.2409876185337922
Energy: 1.9591523434050837
Energy: 2.2421754016011675
Energy: 1.9591523434037559
Energy: 2.413646699249634
Energy: 1.9619834045439914
Energy: 2.2454731559698202
Energy: 1.9619834045439914
Energy: 2.2982964843376537
Energy: 1.8642410410711971
Energy: 2.7113624851992664
Energy: 1.8642410410698695
Energy: 2.2519041904549986
Energy: 1.63208466768687
Energy: 2.7455148206807074
Energy: 1.6320846676881977
Energy: 1.6577920460696063
Energy: 1.6586510440210929
Energy: 2.7468262479672507
Energy: 1.6586510440237483
Energy: 1.6324399192874064
Energy: 1.6312350010678445
Energy: 2.7137014720632067
Energy: 1.6312350010691723
Energy: 1.742699812201377
Energy: 1.667455325455587
Energy: 2.7018219566422963
Energy: 1.6674553254542592
Energy: 1.7419738246641605
Energy: 1.6339331433785123
Energy: 2.9805628084632296
Energy: 1.6339331433785123
Energy: 1.9991785030861724
Energy: 1.7435631725845941
Energy: 2.7034911078354438
Energy: 1.7435631725845941
Energy: 1.8562528476147513
Energy: 1.7933741253092408
Energy: 2.711086077065433
Energy: 1.7933741253079132
Energy: 1.8584941352866124
Energy: 1.7956948652246112
Energy: 2.5771897290396155
Energy: 1.7956948652285942
Energy: 1.9263218382489646
Energy: 1.795864425275955
Energy: 2.3961106023422234
Energy: 1.795864425275955
Energy: 2.579333544302545
Energy: 1.7943590310567814
Energy: 2.5773225850330728
Energy: 1.7943590310554536
Energy: 2.388241154561104
Energy: 1.796114204000033
Energy: 2.577814896672505
Energy: 1.7961142040013607
Energy: 2.389341996136117
Energy: 1.7952949669088891
Energy: 1.932081930706468
Energy: 1.7952949669075613
Energy: 2.5771258070194585
Energy: 1.8486229492514035
Energy: 1.8761246875116488
Energy: 1.8486229492500756
Energy: 2.7004413967930865
Energy: 1.667589273887751
Energy: 1.932655506759252
Energy: 1.6675892738890787
Energy: 2.708769913679473
Energy: 1.7148957902720203
Energy: 1.9585051650492213
Energy: 1.7148957902720203

minimum gb energy = 1.6312350010678445 eV
minimum distance =  2.50808170679219 Angstroms
sigma value = 9


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

Energy: 2.9763612723073023
Energy: 1.8349728612894862
Energy: 1.8336414987807326
Energy: 1.8708554775285495
Energy: 2.5532041506988468
Energy: 1.6552170198931029
Energy: 1.8307089304137314
Energy: 1.6552170198946865
Energy: 2.552729933965796
Energy: 1.6550350862493235
Energy: 1.6535714732556683
Energy: 1.655035086241404
Energy: 2.5533566794316442
Energy: 1.6555534205485192
Energy: 2.0284626173931346
Energy: 1.655553420546935
Energy: 2.272381061736001
Energy: 1.6562631864443211
Energy: 1.8895540592504665
Energy: 1.6562631864364015
Energy: 2.552673368581842
Energy: 1.6552851263360657
Energy: 2.271343597769022
Energy: 1.6552851263328978
Energy: 2.551366429498964
Energy: 1.8003673117815866
Energy: 1.6331243344116475
Energy: 1.8003673117815866
Energy: 2.274031261907467
Energy: 1.7972637222933046
Energy: 2.2351740762541175
Energy: 1.7972637222933046
Energy: 2.32774434462153
Energy: 1.7962985216384755
Energy: 2.1293036809421455
Energy: 1.7962985216384755
Energy: 2.2727289252924234
Energy: 1.8298350673227606
Energy: 2.5524134787335457
Energy: 1.8298350673227606
Energy: 2.083340027561121
Energy: 1.8404253298013042
Energy: 2.9736581015725476
Energy: 1.8404253298028883
Energy: 1.8408029588745223
Energy: 1.655669238667424
Energy: 2.5002862356611875
Energy: 1.655669238669008
Energy: 1.8412032159581124
Energy: 1.6553954259603674
Energy: 2.5527540319556294
Energy: 1.655395425966703
Energy: 1.8324179615943093
Energy: 1.6548578329089882
Energy: 2.5525105770032646
Energy: 1.6548578329089882
Energy: 1.8429061861646732
Energy: 1.6548461767778784
Energy: 2.275059067396291
Energy: 1.6548461767762945
Energy: 2.2789874346225734
Energy: 1.6549946062070569
Energy: 2.5544601070683286
Energy: 1.6549946062133922
Energy: 1.6318296277798234
Energy: 1.7977093970358267
Energy: 2.552349377865009
Energy: 1.7977093970358267
Energy: 1.6312612134857536
Energy: 1.79731978499908
Energy: 2.270296912858212
Energy: 1.79731978499908
Energy: 2.1315468453783613
Energy: 1.7963146779162542
Energy: 2.321888456188177
Energy: 1.7963146779241737
Energy: 2.5536327087696726
Energy: 1.7956669474377658
Energy: 2.2774002398507203
Energy: 1.795666947436182
Energy: 2.499747900331121
Energy: 1.8326824905120442
Energy: 2.2758024668391745
Energy: 1.8326824905120442

minimum gb energy = 1.6312612134857536 eV
minimum distance =  2.55740845971574 Angstroms
sigma value = 25


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

Energy: 2.576175801220974
Energy: 2.779271285843257
Energy: 1.9118390536907641
Energy: 2.0240191398338974
Energy: 2.384252083916712
Energy: 1.8475858035741206
Energy: 2.07170399641724
Energy: 1.8475858035741206
Energy: 2.4722165560733522
Energy: 1.823507203361036
Energy: 1.9523676862337966
Energy: 1.8235072033590771
Energy: 2.468547371528693
Energy: 1.829636811242316
Energy: 1.9623220450023873
Energy: 1.829636811242316
Energy: 2.179002253410372
Energy: 1.828665947564459
Energy: 2.157548914165105
Energy: 1.828665947564459
Energy: 2.46843359818241
Energy: 1.828703646981129
Energy: 2.3862783093080178
Energy: 1.8287036469850466
Energy: 2.467448155760806
Energy: 1.829189899068246
Energy: 2.452404010612435
Energy: 1.8291898990702047
Energy: 1.8270242248588218
Energy: 1.829243895828126
Energy: 2.4536112300204906
Energy: 1.8292438958340025
Energy: 1.8292754883096247
Energy: 1.8212213102842878
Energy: 2.4014038493250642
Energy: 1.8212213102823294
Energy: 1.959538747607518
Energy: 1.8476849886867102
Energy: 2.4029564465160007
Energy: 1.8476849886867102
Energy: 1.9572882155685332
Energy: 1.9565718979470927
Energy: 2.5081303255910607
Energy: 1.9565718979470927
Energy: 2.349213772698864
Energy: 1.8462078446592516
Energy: 2.3834632721325977
Energy: 1.8462078446592516
Energy: 2.1582723597480498
Energy: 1.9650358556377594
Energy: 2.402776447496844
Energy: 1.9650358556377594
Energy: 2.1501601562116823
Energy: 1.9653201911920646
Energy: 2.2582246381723663
Energy: 1.9653201911920646
Energy: 2.3492353941290784
Energy: 1.9414736797053826
Energy: 2.1912309649715547
Energy: 1.9414736797073415
Energy: 2.3811429027221647
Energy: 1.965808852409239
Energy: 2.2601079544824025
Energy: 1.9658088524111978
Energy: 2.2880855636225594
Energy: 2.072849701612345
Energy: 2.3696403264560613
Energy: 2.0728497016143037

minimum gb energy = 1.8212213102823294 eV
minimum distance =  2.55658615151932 Angstroms
sigma value = 17


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

Energy: 3.5978797547600476
Energy: 2.1920388850226207
Energy: 2.21114887009717
Energy: 2.1138887571629583
Energy: 2.2884342836766822
Energy: 2.035310733005282
Energy: 2.1541631244349797
Energy: 2.035310733006391
Energy: 2.321793190354711
Energy: 1.9567794948434807
Energy: 1.9339035713310393
Energy: 1.9567794948456994
Energy: 2.2774621172329024
Energy: 1.8821229119734548
Energy: 1.9168438655538955
Energy: 1.882122911971236
Energy: 2.3583807578297344
Energy: 2.0149032351168996
Energy: 2.1509659617924095
Energy: 2.0149032351168996
Energy: 2.321632014319664
Energy: 2.1091783966095745
Energy: 2.2620081923679614
Energy: 2.1091783966073554
Energy: 2.387908331282161
Energy: 2.005828415055182
Energy: 2.238692076303202
Energy: 2.005828415051854
Energy: 2.0206888663072395
Energy: 2.019291431182823
Energy: 2.3362049055994993
Energy: 2.019291431178386
Energy: 1.9124797621173681
Energy: 1.9725240568226072
Energy: 2.2929288013156617
Energy: 1.9725240568203888
Energy: 1.884105009218336
Energy: 1.9278537063014294
Energy: 2.29059642151255
Energy: 1.9278537063047574
Energy: 2.0824081374528265
Energy: 1.8687739615534051
Energy: 2.38128298142379
Energy: 1.8687739615534051
Energy: 2.297729266733815
Energy: 1.884247153096467
Energy: 2.2904165120707582
Energy: 1.884247153099795
Energy: 2.2494229084343327
Energy: 1.8847221012797477
Energy: 2.3022370094272717
Energy: 1.8847221012786386
Energy: 2.2479077463785924
Energy: 1.8849504068615608
Energy: 2.083009065163649
Energy: 1.884950406858283
Energy: 2.2624154243897863
Energy: 1.9292803897152195
Energy: 1.8850528196903913
Energy: 1.9292803897130006
Energy: 2.26171242377378
Energy: 1.9997390096194805
Energy: 1.9222927547667124
Energy: 1.9997390096216994
Energy: 2.296439878827
Energy: 2.0186674131886124
Energy: 2.1273113812745716
Energy: 2.0186674131863933
Energy: 2.2967699293229877
Energy: 2.0185461951250487
Energy: 2.3655305018062407
Energy: 2.0185461951239394
Energy: 2.2617185499253254
Energy: 1.97402914155729
Energy: 2.2779537195849886
Energy: 1.9740291415583993
Energy: 2.158395842058596
Energy: 2.0122348486357677
Energy: 2.3016893983967943
Energy: 2.0122348486368766
Energy: 1.8431534083074552
Energy: 1.8808105006220912
Energy: 2.278924077517257
Energy: 1.8808105006220912
Energy: 1.9643108050653026
Energy: 1.9546848483216428
Energy: 2.2842722432410976
Energy: 1.9546848483238612
Energy: 2.191136982010904
Energy: 2.059532635492266
Energy: 2.29697078318948
Energy: 2.059532635491157
Energy: 2.3515168408651235
Energy: 2.1653192178424994
Energy: 2.28949458968069
Energy: 2.1653192178424994
Energy: 2.273099444847573
Energy: 1.9313408338211577
Energy: 2.282175545272979
Energy: 1.9313408338211577
Energy: 2.0639050725000327
Energy: 2.0384348652970874
Energy: 2.2819723736576796
Energy: 2.038434865294869
Energy: 2.147886828844398
Energy: 2.0392692066803573
Energy: 2.127205687082596
Energy: 2.0392692066781386
Energy: 2.321481832558832
Energy: 2.0392079992123078
Energy: 2.133261433577625
Energy: 2.039207999215636
Energy: 2.2855151979435635
Energy: 1.9319471638751857
Energy: 2.338766858193462
Energy: 1.9319471638751857
Energy: 2.329377985868382
Energy: 1.9651359290095012
Energy: 2.482359059983546
Energy: 1.96513592901172

minimum gb energy = 1.8431534083074552 eV
minimum distance =  2.47148399389905 Angstroms
sigma value = 53


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

Energy: 1.6719930400716552
Energy: 2.5654924543674578
Energy: 1.9916099589454836
Energy: 1.7105745376844557
Energy: 2.1227873551060203
Energy: 1.7198823600559077
Energy: 1.9910418571686392
Energy: 1.7198823600559077
Energy: 2.1207514191938794
Energy: 1.7558633921066233
Energy: 1.989505440605159
Energy: 1.7558633921040696
Energy: 2.121325002163028
Energy: 1.7536228021696607
Energy: 2.3081172553011813
Energy: 1.7536228021722147
Energy: 1.985262935713472
Energy: 1.7225233849359682
Energy: 2.3065890654250207
Energy: 1.7225233849359682
Energy: 2.1213107748076725
Energy: 1.7541160085654721
Energy: 2.3070290984957347
Energy: 1.7541160085654721
Energy: 2.1207251582324296
Energy: 1.754421602625802
Energy: 1.6727898891751756
Energy: 1.754421602625802
Energy: 1.9894354891067638
Energy: 1.720590970809676
Energy: 1.6730280354966676
Energy: 1.720590970809676
Energy: 1.9884848945071176
Energy: 1.7547029693491285
Energy: 2.1217354452542305
Energy: 1.7547029693491285
Energy: 1.9891515423562514
Energy: 1.7542684648789355
Energy: 2.121233521067325
Energy: 1.7542684648789355
Energy: 2.312957739405499
Energy: 2.073234010055979
Energy: 1.9916029210262134
Energy: 2.073234010055979
Energy: 2.309550455113686
Energy: 1.8663736097527437
Energy: 2.131262358574206
Energy: 1.8663736097527437
Energy: 1.673012385571969
Energy: 1.7555957388969128
Energy: 2.120133889319584
Energy: 1.7555957388969128

minimum gb energy = 1.6719930400716552 eV
minimum distance =  2.52804030320344 Angstroms
sigma value = 9


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

Energy: 2.810827616342789
Energy: 2.373670489095029
Energy: 2.3739733022819944
Energy: 2.5101510852228506
Energy: 2.2878976053388076
Energy: 2.0434458519867555
Energy: 2.3742918145549647
Energy: 2.043445851991482
Energy: 2.265801613568553
Energy: 2.042112510231077
Energy: 2.1176019838173747
Energy: 2.042112510233913
Energy: 2.1714479487480105
Energy: 2.042278982245333
Energy: 2.05394207227762
Energy: 2.0422789822472236
Energy: 2.025027519069287
Energy: 2.044057425030716
Energy: 2.2158735018438755
Energy: 2.0440574250316614
Energy: 2.3418503481286534
Energy: 2.044970024641724
Energy: 2.2865781807270724
Energy: 2.0449700246455054
Energy: 2.375723425137447
Energy: 2.376338779622421
Energy: 2.6530556526412634
Energy: 2.376338779623366
Energy: 2.5412645074513844
Energy: 2.3752798823749597
Energy: 2.762971058098469
Energy: 2.3752798823749597
Energy: 2.419513969496239
Energy: 2.102914712956346
Energy: 2.4125192920175733
Energy: 2.1029147129554007
Energy: 2.098613679086461
Energy: 2.1045438665481786
Energy: 2.1560171241588617
Energy: 2.1045438665510146
Energy: 2.4203571160461856
Energy: 2.007630089460578
Energy: 1.943867793805507
Energy: 2.007630089457742
Energy: 2.433545690798048
Energy: 2.0369769429871663
Energy: 2.143875453222341
Energy: 2.0369769429871663
Energy: 2.659127125103109
Energy: 2.2193915735623215
Energy: 2.226748353935463
Energy: 2.2193915735613765
Energy: 2.6563774867243164
Energy: 2.21847548643273
Energy: 2.625485300021278
Energy: 2.21847548643273
Energy: 2.458747468753092
Energy: 2.1098239034758555
Energy: 2.5705939151309942
Energy: 2.1098239034692385
Energy: 2.3371265409477884
Energy: 2.170834139203264
Energy: 2.4364766152927197
Energy: 2.170834139204209
Energy: 1.9855840054360194
Energy: 2.0083515728554318
Energy: 2.607894455975195
Energy: 2.0083515728554318
Energy: 2.0457160349559946
Energy: 2.0666147206427548
Energy: 2.5700949536998854
Energy: 2.0666147206437
Energy: 2.096021571205695
Energy: 2.0636001412773233
Energy: 2.6010480425353073
Energy: 2.063600141276378
Energy: 2.1701510037677005
Energy: 2.1751909400718343
Energy: 2.5632126112732387
Energy: 2.1751909400689984
Energy: 2.606095064630295
Energy: 2.0655923420129723
Energy: 2.536470785619233
Energy: 2.0655923420148627
Energy: 2.6964415215605593
Energy: 2.0766601698488536
Energy: 2.476188752586957
Energy: 2.076660169849799
Energy: 2.6970590127120984
Energy: 2.0778973963294853
Energy: 2.074093309362018
Energy: 2.0778973963313754
Energy: 2.637010835350355
Energy: 2.0369742196954643
Energy: 2.12005855978778
Energy: 2.036974219694519
Energy: 2.59191270278494
Energy: 2.0319282652294146
Energy: 2.010677567896546
Energy: 2.0319282652265787
Energy: 2.265633777592011
Energy: 2.1725881630801287
Energy: 2.0711309068191177
Energy: 2.1725881630801287
Energy: 2.6088191197033908
Energy: 2.0936709413855934
Energy: 2.452745598893105
Energy: 2.0936709413855934
Energy: 2.58170816899339
Energy: 2.122261723877182
Energy: 2.602307340914891
Energy: 2.122261723875291
Energy: 2.220893135898883
Energy: 2.2195653212039237
Energy: 2.689978174082019
Energy: 2.219565321204826
Energy: 2.237866206244958
Energy: 2.0536565083116263
Energy: 2.5214414679281627
Energy: 2.053656508314462
Energy: 2.06791891880007
Energy: 2.057470744404354
Energy: 2.379708158154632
Energy: 2.0574707444062446
Energy: 2.0207216803646277
Energy: 2.014552861141242
Energy: 2.2995807982786665
Energy: 2.0145528611374615
Energy: 2.3396594834301294
Energy: 2.106095613974798
Energy: 2.303630523827218
Energy: 2.1060956139729075
Energy: 2.3414785054515894
Energy: 2.049101379258881
Energy: 2.4748373664607564
Energy: 2.0491013792626616
Energy: 2.7374838892942823
Energy: 2.3833513264605077
Energy: 2.58658363086898
Energy: 2.3833513264586172

minimum gb energy = 1.943867793805507 eV
minimum distance =  2.52497123324097 Angstroms
sigma value = 73


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

Energy: 2.910106995074795
Energy: 2.454943285507802
Energy: 2.455346091350617
Energy: 2.313592243691841
Energy: 2.46046869929846
Energy: 2.185629307026984
Energy: 2.3378592003108816
Energy: 2.1856293070284836
Energy: 2.2728625212553784
Energy: 2.084158986490682
Energy: 2.2325655645563875
Energy: 2.0841589864891823
Energy: 2.1884369232662557
Energy: 2.078867097135847
Energy: 2.0781688165876444
Energy: 2.0788670971388465
Energy: 2.189263032369526
Energy: 2.0846111175046915
Energy: 2.2316654668801164
Energy: 2.084611117506191
Energy: 2.2551155947836294
Energy: 2.0997568588014555
Energy: 2.388776262321147
Energy: 2.0997568588014555
Energy: 2.3153980707279267
Energy: 2.3137977407967263
Energy: 2.6751180912893404
Energy: 2.313797740793727
Energy: 2.5830377733018266
Energy: 2.313915063184758
Energy: 2.674913536624974
Energy: 2.313915063184758
Energy: 2.5670718725900596
Energy: 2.109801082180761
Energy: 2.461552516691704
Energy: 2.109801082180761
Energy: 2.190743790250154
Energy: 2.1107997320754506
Energy: 2.0943325954173946
Energy: 2.1107997320754506
Energy: 2.6271410802694803
Energy: 2.0212386817262233
Energy: 1.977096273364554
Energy: 2.021238681727723
Energy: 2.4652834973351876
Energy: 2.171123267338556
Energy: 2.1137653547739514
Energy: 2.171123267338556
Energy: 2.444911229802786
Energy: 2.0956873418368085
Energy: 2.095825337039945
Energy: 2.0956873418353092
Energy: 2.443034075136733
Energy: 2.095288893802388
Energy: 2.5972940562822937
Energy: 2.0952888938038883
Energy: 2.673342825876907
Energy: 2.1003376413558033
Energy: 2.731486261807415
Energy: 2.1003376413573025
Energy: 2.3688332144878386
Energy: 2.095894792455044
Energy: 2.7099017024745886
Energy: 2.095894792455044
Energy: 2.0947294957132256
Energy: 2.095205428623969
Energy: 2.704729248460804
Energy: 2.095205428623969
Energy: 2.253997682128596
Energy: 2.0976029210789093
Energy: 2.5549507795180126
Energy: 2.0976029210789093
Energy: 1.9778528579370578
Energy: 2.020230515668947
Energy: 2.5005937734566146
Energy: 2.020230515668947
Energy: 2.1830352899909804
Energy: 2.110671928628139
Energy: 2.46418624509955
Energy: 2.1106719286401368
Energy: 2.3893715878887427
Energy: 2.0154327797297724
Energy: 2.62453759128716
Energy: 2.0154327797297724
Energy: 2.6915848079036335
Energy: 2.1879741961865853
Energy: 2.541087913042707
Energy: 2.1879741961865853

minimum gb energy = 1.977096273364554 eV
minimum distance =  2.47983781515216 Angstroms
sigma value = 7


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

Energy: 3.5690857799472253
Energy: 3.095458594672093
Energy: 2.430472191382798
Energy: 2.7088124776620273
Energy: 2.4235699902294545
Energy: 2.0976789185326163
Energy: 2.241475417268066
Energy: 2.0976789185326163
Energy: 2.4366209441554916
Energy: 2.088938992668843
Energy: 2.1865283679350886
Energy: 2.088938992668843
Energy: 2.273459554673985
Energy: 2.087184130739838
Energy: 2.1107423071992817
Energy: 2.0871841307408987
Energy: 2.2785913926243655
Energy: 2.088755516789243
Energy: 2.2677654071826336
Energy: 2.0887555167881824
Energy: 2.237312266040794
Energy: 2.097462420979448
Energy: 2.6001766353998885
Energy: 2.097462420979448
Energy: 2.2400437234731654
Energy: 2.241195343952944
Energy: 2.619506381970421
Energy: 2.241195343952944
Energy: 2.6458240007843123
Energy: 2.2391472628141997
Energy: 2.609364561077202
Energy: 2.2391472628141997
Energy: 2.6030150512464383
Energy: 2.1522336520970815
Energy: 2.59962979012102
Energy: 2.1522336520960215
Energy: 2.2659445416937816
Energy: 2.1528744456946978
Energy: 2.011856837896231
Energy: 2.1528744456957583
Energy: 2.6004707628729284
Energy: 2.0089705752285174
Energy: 2.0077682299440984
Energy: 2.0089705752285174
Energy: 2.4891069855386734
Energy: 2.1391343196414505
Energy: 2.2441994574113013
Energy: 2.1391343196414505
Energy: 2.6406258367797504
Energy: 2.0103358425547655
Energy: 2.1840111936123887
Energy: 2.0103358425547655
Energy: 2.617175652362323
Energy: 2.152149475064687
Energy: 2.4210594027585084
Energy: 2.1521494750636263
Energy: 2.5977619897182094
Energy: 2.0964067638216513
Energy: 2.4250955966233754
Energy: 2.0964067638227117
Energy: 2.4923639367148676
Energy: 2.0970462611436784
Energy: 2.9423347730788816
Energy: 2.097046261142618
Energy: 2.4252660036838023
Energy: 2.0961983470065437
Energy: 2.9730719029494574
Energy: 2.096198347007604
Energy: 2.3061872145739626
Energy: 2.122077080592646
Energy: 2.4366267519372977
Energy: 2.1220770805937064
Energy: 2.1143056801153737
Energy: 2.08881146788985
Energy: 2.269446427427157
Energy: 2.0888114678887897
Energy: 2.185580825259418
Energy: 2.092390367407445
Energy: 2.1169075614829245
Energy: 2.092390367407445
Energy: 2.271782966617251
Energy: 2.1219928109685484
Energy: 2.2420916343554813
Energy: 2.1219928109664754
Energy: 2.6286453436206063
Energy: 2.238648465700438
Energy: 2.2394316657827207
Energy: 2.2386484656993773
Energy: 2.6282660391378987
Energy: 2.240746003925573
Energy: 2.5144853766258732
Energy: 2.240746003923452
Energy: 2.6001560507967927
Energy: 2.009798614510995
Energy: 2.6471846567072346
Energy: 2.009798614512055
Energy: 2.424133796249474
Energy: 2.1527340859420727
Energy: 2.265549763915681
Energy: 2.1527340859410122
Energy: 2.010985479545388
Energy: 2.0091090989220124
Energy: 2.2680127544084723
Energy: 2.009109098924133
Energy: 2.0795480004511875
Energy: 2.231795039104655
Energy: 2.621154551069526
Energy: 2.231795039104655
Energy: 2.011127742141006
Energy: 2.0120927671783333
Energy: 2.690795180470487
Energy: 2.0120927671783333
Energy: 2.011636587931277
Energy: 2.1529217391007522
Energy: 2.6347876381966624
Energy: 2.1529217391007522
Energy: 2.423800968481537
Energy: 2.01241828325068
Energy: 2.688410053789721
Energy: 2.0124182832517405
Energy: 2.968608615184903
Energy: 2.096727076566039
Energy: 2.6883000447961534
Energy: 2.0967270765670993

minimum gb energy = 2.0077682299440984 eV
minimum distance =  2.49128179002438 Angstroms
sigma value = 29


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

Energy: 2.6599951376090214
Energy: 2.668227516520453
Energy: 2.264056854096319
Energy: 2.0885084867455044
Energy: 2.4096438433600076
Energy: 1.8905925965084889
Energy: 2.2614213209825826
Energy: 1.8905925965088581
Energy: 2.489348136607486
Energy: 1.9426806217417607
Energy: 2.1139112722860127
Energy: 1.9426806217413914
Energy: 2.36812599221701
Energy: 1.8889600304234024
Energy: 1.7462104376816285
Energy: 1.888960030423772
Energy: 2.3692231011583087
Energy: 1.9659303045722365
Energy: 2.264461435772649
Energy: 1.9659303045722365
Energy: 2.3673287664222604
Energy: 1.8864085052448532
Energy: 2.2656692505433917
Energy: 1.8864085052441144
Energy: 2.5638827754105344
Energy: 2.259667397928923
Energy: 2.0633700524761682
Energy: 2.259667397927815
Energy: 2.4156762757926367
Energy: 2.0768532975076868
Energy: 2.2048861631870933
Energy: 2.0768532975112985
Energy: 2.3464760903105897
Energy: 2.0537448243243817
Energy: 2.3225175127988162
Energy: 2.0537448243240126

minimum gb energy = 1.7462104376816285 eV
minimum distance =  2.4280162961979 Angstroms
sigma value = 5


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

Energy: 2.9776845806668772
Energy: 2.940680163722052
Energy: 2.8359687416107535
Energy: 2.777183732563946
Energy: 1.9529902380962816
Energy: 2.1483464158766803
Energy: 2.4914497952053805
Energy: 2.1483464158756784
Energy: 1.9546761700696997
Energy: 1.9516273858485769
Energy: 2.4667024977467
Energy: 1.9516273858485769
Energy: 1.95515304702198
Energy: 2.06158467455438
Energy: 2.366741758422226
Energy: 2.061584674552377
Energy: 1.9575532357365548
Energy: 1.951897801730183
Energy: 2.491669087243745
Energy: 1.951897801726176
Energy: 2.021748550149695
Energy: 1.9973847535890683
Energy: 2.3377346467115583
Energy: 1.9973847535871103
Energy: 2.0271942953749518
Energy: 2.1146091794753556
Energy: 2.2884124832440116
Energy: 2.1146091794743542
Energy: 2.0226774398682665
Energy: 1.9948045243758272
Energy: 2.3430560510608136
Energy: 1.9948045243798345
Energy: 2.5429821525192287
Energy: 1.9978502665772935
Energy: 2.3353147206079456
Energy: 1.9978502665813005
Energy: 2.4538273093713787
Energy: 2.3723675034303775
Energy: 2.3987747679409117
Energy: 2.372367503432381
Energy: 2.7140180816352713
Energy: 2.176687432220422
Energy: 2.612747274388673
Energy: 2.176687432220422
Energy: 2.347702302966484
Energy: 2.121169296252025
Energy: 2.548079818810812
Energy: 2.1211692962560322
Energy: 2.2879086259147225
Energy: 2.288375242446121
Energy: 2.5481368732772567
Energy: 2.288375242448124
Energy: 2.3632126711650514
Energy: 2.2102493167893
Energy: 2.025953394550341
Energy: 2.2102493167903012
Energy: 2.2849631769717185
Energy: 2.114951785708713
Energy: 2.0228836388674654
Energy: 2.114951785707711
Energy: 2.2842629365320026
Energy: 1.995124316235421
Energy: 2.0407404462484395
Energy: 1.9951243162394277
Energy: 2.4789708512963142
Energy: 2.172202973263495
Energy: 2.188225943305531
Energy: 2.172202973264497
Energy: 2.4729801732484944
Energy: 1.9522136003536668
Energy: 1.9535710468330354
Energy: 1.9522136003546684
Energy: 2.4638927485181346
Energy: 2.0625191189195253
Energy: 1.953808008698191
Energy: 2.06251911891652
Energy: 2.5200275943520394
Energy: 1.980344946128799
Energy: 1.955103464664453
Energy: 1.9803449461298006
Energy: 2.5085735992246856
Energy: 2.2964124948916873
Energy: 2.6415529489674
Energy: 2.2964124948916873
Energy: 2.6326944660479885
Energy: 2.2081338872330276
Energy: 2.6419541781327682
Energy: 2.208133887230022
Energy: 2.6134492093558372
Energy: 2.097009811865905
Energy: 2.283786336913858
Energy: 2.097009811863902
Energy: 2.552828844702339
Energy: 2.0499994455680803
Energy: 2.098702056671059
Energy: 2.049999445570084
Energy: 2.552852804385279
Energy: 2.048370817743544
Energy: 2.075006474022326
Energy: 2.048370817743544
Energy: 2.3806560523717057
Energy: 2.0406863464578495
Energy: 2.2594270171478383
Energy: 2.0406863464578495
Energy: 2.1312894309153716
Energy: 2.0418853929263343
Energy: 2.1277253202320425
Energy: 2.041885392925333
Energy: 2.1317500940151337
Energy: 2.044262488476119
Energy: 2.1368138485596697
Energy: 2.044262488481128
Energy: 2.3560882538071746
Energy: 2.1665866285512574
Energy: 2.382511480674372
Energy: 2.1665866285532607
Energy: 2.07431545221805
Energy: 2.0492335740816277
Energy: 2.456830834549041
Energy: 2.0492335740836314
Energy: 2.0985705272544535
Energy: 2.049253537063993
Energy: 2.456757708006222
Energy: 2.049253537063993
Energy: 2.282808404317544
Energy: 2.097095944407432
Energy: 2.631277907743221
Energy: 2.097095944408434
Energy: 2.742339243283009
Energy: 2.6287063177771723
Energy: 2.7632102279882074
Energy: 2.628706317774167

minimum gb energy = 1.9516273858485769 eV
minimum distance =  2.42967749530173 Angstroms
sigma value = 1


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

Energy: 3.223276392959077
Energy: 2.634995663532114
Energy: 2.3396183544536364
Energy: 2.1757666202035306
Energy: 1.9621724324780538
Energy: 1.9224267770824444
Energy: 2.117321004243626
Energy: 1.9224267770824444
Energy: 1.9602029548302704
Energy: 1.9213158149857175
Energy: 2.2934116151556325
Energy: 1.9213158149857175
Energy: 1.9612265669684363
Energy: 1.9364465987823907
Energy: 2.0355103232825873
Energy: 1.9364465987823907
Energy: 1.9613656584219408
Energy: 1.9219071630748985
Energy: 2.243301365763981
Energy: 1.9219071630735134
Energy: 1.9638768800390152
Energy: 1.9220028575017338
Energy: 2.24162954293475
Energy: 1.9220028575017338
Energy: 1.9649999761835084
Energy: 1.9383544042650067
Energy: 2.295806214819615
Energy: 1.9383544042650067
Energy: 1.9643847329499147
Energy: 1.9186989437321333
Energy: 2.216113320518247
Energy: 1.9186989437321333
Energy: 1.9629209415733648
Energy: 1.9214491549309813
Energy: 2.2155853706744275
Energy: 1.9214491549295964
Energy: 2.270479683546352
Energy: 2.5861657147075756
Energy: 2.4108450546946223
Energy: 2.5861657147089607
Energy: 1.961247935163553
Energy: 1.9220423844886332
Energy: 2.3010244687738397
Energy: 1.9220423844886332
Energy: 1.9623777353121639
Energy: 1.936192946993571
Energy: 2.5026467598890454
Energy: 1.9361929469949561
Energy: 1.9629968962910083
Energy: 1.9361007308337188
Energy: 2.5051652629977252
Energy: 1.9361007308337188
Energy: 2.1176967931246278
Energy: 1.996997047029353
Energy: 1.964430749475226
Energy: 1.996997047029353
Energy: 2.034936878960549
Energy: 1.9355581128255468
Energy: 1.9613550730588
Energy: 1.9355581128255468
Energy: 2.0341004507674376
Energy: 1.9211087011919479
Energy: 1.9607893677529464
Energy: 1.9211087011919479
Energy: 2.3787274708911386
Energy: 1.9507468296615715
Energy: 1.960485890929746
Energy: 1.9507468296615715
Energy: 2.2956612076034864
Energy: 1.9215593718942836
Energy: 1.9607010460837022
Energy: 1.9215593718928983
Energy: 2.29550715917611
Energy: 2.076664103494465
Energy: 1.9605316219959248
Energy: 2.076664103494465
Energy: 2.2099666832207077
Energy: 1.9220054957846457
Energy: 1.963826534581567
Energy: 1.9220054957860309
Energy: 2.2149222652144047
Energy: 2.2147314815262082
Energy: 2.270957280775066
Energy: 2.2147314815082026
Energy: 2.302262010778728
Energy: 2.216715863423712
Energy: 2.271386036783001
Energy: 2.216715863437563
Energy: 2.3006798388383496
Energy: 1.9969036214453326
Energy: 1.9600562372392094
Energy: 1.9969036214453326
Energy: 2.503508765213291
Energy: 1.93673069073186
Energy: 1.9610194400278778
Energy: 1.93673069073186

minimum gb energy = 1.9186989437321333 eV
minimum distance =  2.46910339003314 Angstroms
sigma value = 17


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

Energy: 3.0307828074512386
Energy: 2.7890690315777493
Energy: 2.744498341139808
Energy: 2.6648802065794692
Energy: 1.9381485364438733
Energy: 1.9643366814309973
Energy: 2.4826722239940917
Energy: 1.964336681430141
Energy: 1.9377144107083157
Energy: 1.9356158133761465
Energy: 2.4316837702004217
Energy: 1.935615813377003
Energy: 1.938246177880021
Energy: 1.935350404220055
Energy: 2.4147807040896123
Energy: 1.9353504042191991
Energy: 1.937415102920763
Energy: 1.9357089211067686
Energy: 2.2879269945965492
Energy: 1.9357089211067686
Energy: 2.092146212516648
Energy: 1.9838978458884304
Energy: 2.143862019218512
Energy: 1.9838978458918548
Energy: 2.093136674057422
Energy: 1.9785532843247788
Energy: 2.090873858118884
Energy: 1.9785532843256348
Energy: 2.1375428817018443
Energy: 1.9775367408719262
Energy: 2.15211415080644
Energy: 1.9775367408710698
Energy: 2.4312278986704334
Energy: 1.9357739542582018
Energy: 1.9815173553733376
Energy: 1.9357739542641943
Energy: 2.343798138357641
Energy: 1.9354526587846548
Energy: 1.9374897407148153
Energy: 1.9354526587923593
Energy: 2.46611429254048
Energy: 1.9358559848085404
Energy: 1.9372980255845331
Energy: 1.9358559848111083
Energy: 2.424096440218495
Energy: 1.9641241034290653
Energy: 2.6857725641869616
Energy: 1.9641241034307775
Energy: 2.74967525825866
Energy: 2.422975213482246
Energy: 2.6231518063138783
Energy: 2.4229752134805342
Energy: 2.4640523344210483
Energy: 2.1233473058626178
Energy: 1.936383025842639
Energy: 2.1233473058686103
Energy: 2.4108816852980537
Energy: 2.059785736575062
Energy: 2.0860421191071676
Energy: 2.059785736575062
Energy: 2.5750620280746874
Energy: 1.9353840189104892
Energy: 2.058346548013619
Energy: 1.9353840189070648
Energy: 2.0181432652159406
Energy: 1.9653376418203423
Energy: 2.3307002025867973
Energy: 1.9653376418246227
Energy: 2.0251969587314003
Energy: 2.015272465092522
Energy: 2.2034262097608344
Energy: 2.0152724650890974
Energy: 2.0195349643559597
Energy: 1.9674325536896964
Energy: 2.2128444119097246
Energy: 1.967432553696467
Energy: 2.1235200947416306
Energy: 2.2198507737859683
Energy: 2.3965266466414263
Energy: 2.2198507737834
Energy: 1.9919284988826256
Energy: 1.9472530284317926
Energy: 2.3469212393323393
Energy: 1.9472530284317926
Energy: 1.9667444097269162
Energy: 1.9471763108214792
Energy: 2.348133981348393
Energy: 1.9471763108249038
Energy: 1.9664572406950773
Energy: 2.239054280048356
Energy: 2.3787611400853073
Energy: 2.2390542800432196
Energy: 2.5521468457704084
Energy: 2.3422868490792332
Energy: 2.3448166377609914
Energy: 2.342286849077521
Energy: 2.6277771862070023
Energy: 1.9522408787390277
Energy: 2.406353198832198
Energy: 1.9522408787381715
Energy: 2.1865567427264425
Energy: 1.9475010934795716
Energy: 2.688620042833149
Energy: 1.9475010934787154
Energy: 2.394820956645986
Energy: 2.3733537333001675
Energy: 2.575596563319133
Energy: 2.3733537333001675
Energy: 2.2973843040024593
Energy: 1.947286609193564
Energy: 2.2097078390662497
Energy: 1.947286609196132
Energy: 2.3521727011353435
Energy: 1.9478810235831343
Energy: 1.9665328896054053
Energy: 1.9478810235771415
Energy: 2.270492451818415
Energy: 1.9988857060664367
Energy: 1.9686159032373747
Energy: 1.9988857060595882
Energy: 2.3602454136002953
Energy: 1.9477833976736822
Energy: 1.9693131128030819
Energy: 1.9477833976685457
Energy: 2.2712156062629503
Energy: 1.9872601832453929
Energy: 2.0229114055308894
Energy: 1.987260183247961
Energy: 2.2033791259468476
Energy: 2.015377935531673
Energy: 2.021720066902142
Energy: 2.015377935531673
Energy: 2.2035994178716862
Energy: 1.9681547247068636
Energy: 2.023945902537163
Energy: 1.968154724710288
Energy: 2.0975616036395355
Energy: 1.9356839701273802
Energy: 2.020560430367309
Energy: 1.9356839701222437
Energy: 2.0880194228290345
Energy: 2.0883460182436124
Energy: 2.5559501485757203
Energy: 2.0883460182384757
Energy: 1.9359235128493004
Energy: 1.9356530942897907
Energy: 2.643356002960055
Energy: 1.935653094292359
Energy: 2.6725824930283033
Energy: 1.96723758257715
Energy: 2.543164161839871
Energy: 1.9672375825788622

minimum gb energy = 1.9353504042191991 eV
minimum distance =  2.44508896684914 Angstroms
sigma value = 89


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

Energy: 3.4944528322495305
Energy: 2.2654699667123084
Energy: 2.2667886958937027
Energy: 1.8969896360739058
Energy: 1.9111340613373247
Energy: 1.8810362870688324
Energy: 1.9100763836811767
Energy: 1.8810362870688324
Energy: 1.9103646436154202
Energy: 1.8802028630497771
Energy: 2.1250934605939187
Energy: 1.8802028630497771
Energy: 1.9067754494998874
Energy: 1.8817550295046679
Energy: 2.1240362137045934
Energy: 1.8817550295046679
Energy: 1.912117116195159
Energy: 1.8821324486011952
Energy: 2.1270789702014348
Energy: 1.882132448596715
Energy: 2.036300053190721
Energy: 1.8685614166333409
Energy: 2.037864773646032
Energy: 1.8685614166333409
Energy: 2.037195950556392
Energy: 1.8716754930515953
Energy: 2.037233863370288
Energy: 1.8716754930515953
Energy: 2.11578768000535
Energy: 1.8728196649059043
Energy: 2.195150497086239
Energy: 1.8728196649059043
Energy: 2.1271328299170125
Energy: 1.8806822781634218
Energy: 1.9110426178452806
Energy: 1.8806822781634218
Energy: 2.3456782218943184
Energy: 1.882127874317404
Energy: 1.9115622148441174
Energy: 1.882127874317404
Energy: 2.344048159156889
Energy: 1.881404400053363
Energy: 1.9104404289957186
Energy: 1.881404400053363
Energy: 2.329297537337386
Energy: 1.8809845866460861
Energy: 2.309721996737232
Energy: 1.8809845866460861
Energy: 2.285743647367598
Energy: 1.9101526734721814
Energy: 2.310118304217759
Energy: 1.9101526734721814
Energy: 2.286689376950295
Energy: 2.036850971748518
Energy: 1.9114338318429813
Energy: 2.036850971748518
Energy: 2.519274056509136
Energy: 1.881533984945894
Energy: 1.9107153289780638
Energy: 1.881533984945894

minimum gb energy = 1.8685614166333409 eV
minimum distance =  2.46778431633572 Angstroms
sigma value = 13


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

Energy: 2.3987573848937678
Energy: 2.221664928474635
Energy: 2.251146593993035
Energy: 2.02180226737016
Energy: 1.8829530157767225
Energy: 1.872209391518435
Energy: 2.2524867883661392
Energy: 1.872209391518435
Energy: 1.8839120116305497
Energy: 1.9187901570661554
Energy: 2.320491396897489
Energy: 1.9187901570670944
Energy: 1.9396671662936202
Energy: 1.918792928713685
Energy: 2.316590716138683
Energy: 1.918792928713685
Energy: 2.1144535889778275
Energy: 1.8829472296975291
Energy: 2.039209105256152
Energy: 1.882947229698468
Energy: 2.087760961629843
Energy: 1.8201243695309302
Energy: 1.9382859438564313
Energy: 1.8201243695346856
Energy: 2.0862876633318397
Energy: 1.819721256999673
Energy: 1.9749153571086717
Energy: 1.819721256999673
Energy: 2.1598118438130034
Energy: 1.9779291986660685
Energy: 2.0129099535553503
Energy: 1.9779291986641907
Energy: 2.0972991561763705
Energy: 1.8271525907756203
Energy: 1.9415317451572678
Energy: 1.8271525907803148
Energy: 2.09746585769432
Energy: 1.8260371908256396
Energy: 1.9429414971097994
Energy: 1.8260371908265356
Energy: 2.1126856900326407
Energy: 1.9354787034532719
Energy: 1.9837859899883399
Energy: 1.9354787034504555
Energy: 1.8820525204314806
Energy: 1.838493613062361
Energy: 2.3593526686778694
Energy: 1.8384936130586054
Energy: 1.8789121942841527
Energy: 1.8381283659440053
Energy: 2.3599726214495056
Energy: 1.8381283659440053
Energy: 1.9540786727982038
Energy: 1.9162838645125218
Energy: 2.3295507130100463
Energy: 1.9162838645115827
Energy: 2.6211311998318636
Energy: 1.8155092429419528
Energy: 2.427753174354767
Energy: 1.8155092429372583
Energy: 2.6200994613650104
Energy: 1.810935705784224
Energy: 2.44340264681721
Energy: 1.8109357057861015
Energy: 1.8592234915363548
Energy: 1.8413840270633894
Energy: 2.4304388596986146
Energy: 1.8413840270633894
Energy: 1.859779540763082
Energy: 1.8393798385659463
Energy: 2.1504441710308555
Energy: 1.8393798385640685
Energy: 1.8601605473348373
Energy: 1.8393898558043311
Energy: 1.8572369193861122
Energy: 1.8393898558080863
Energy: 2.286382641490018
Energy: 1.8123559713625987
Energy: 2.0723503355098294
Energy: 1.8123559713569657
Energy: 2.5337850840863037
Energy: 2.019842184448627
Energy: 2.029115288466803
Energy: 2.019842184451443
Energy: 2.0902892483543583
Energy: 1.8125945341019507
Energy: 2.0449069907582587
Energy: 1.8125945341038288
Energy: 2.0334777255882424
Energy: 1.7856211689868604
Energy: 2.0895452461182256
Energy: 1.7856211689896768
Energy: 1.9302841555093084
Energy: 1.7856336211761392
Energy: 2.004064925825404
Energy: 1.7856336211789556
Energy: 1.9758418202579875
Energy: 1.7963952636240583
Energy: 2.095178332334247
Energy: 1.7963952636212415
Energy: 1.9462321233339115
Energy: 1.8288026824389503
Energy: 2.114658209048283
Energy: 1.8288026824408279
Energy: 1.9434749430849438
Energy: 1.8299643303574644
Energy: 2.090624880854941
Energy: 1.829964330354648
Energy: 1.9850984176979827
Energy: 1.8235554011083925
Energy: 2.100944731556523
Energy: 1.823555401106515
Energy: 2.050650585980847
Energy: 1.8715911577035056
Energy: 1.9027196188531408
Energy: 1.8715911577044446
Energy: 2.110850384622712
Energy: 1.878025136186338
Energy: 1.884672331125004
Energy: 1.878025136186338
Energy: 2.3539984672616265
Energy: 1.8788736964920325
Energy: 1.884936528269538
Energy: 1.8788736964901551
Energy: 2.3103244758783172
Energy: 1.919062632040222
Energy: 2.6204759868867082
Energy: 1.919062632038344
Energy: 2.3480992323835075
Energy: 1.9445771859155594
Energy: 2.6212417618250456
Energy: 1.9445771859155594
Energy: 2.2588566913075985
Energy: 1.8748184552060287
Energy: 2.219931274422688
Energy: 1.8748184552088452
Energy: 2.22215334065831
Energy: 2.0262804964752656
Energy: 2.0313308296401327
Energy: 2.026280496473388

minimum gb energy = 1.7856211689868604 eV
minimum distance =  2.46987618318065 Angstroms
sigma value = 37


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

Energy: 2.263600525237902
Energy: 2.0863258011793557
Energy: 2.0820561220528613
Energy: 1.7933363802991238
Energy: 1.7768041747811614
Energy: 1.7702579965282486
Energy: 1.7894820085282022
Energy: 1.7702579965282486
Energy: 1.7779062376091763
Energy: 1.7696996691934084
Energy: 2.1267143491073766
Energy: 1.7696996691934084
Energy: 1.7779458403947332
Energy: 1.7702034697763236
Energy: 2.127220945116813
Energy: 1.7702034697747082
Energy: 1.9767758558307906
Energy: 1.810434689281451
Energy: 1.912182299116035
Energy: 1.810434689283066
Energy: 2.0495188171705423
Energy: 1.6950009332918647
Energy: 1.8001596925690249
Energy: 1.6950009332902491
Energy: 1.930823171622466
Energy: 1.6949497704803616
Energy: 1.7994095269640589
Energy: 1.6949497704803616
Energy: 2.0215367857881312
Energy: 1.6922833921561113
Energy: 1.8707499249895978
Energy: 1.6922833921577267
Energy: 1.880708943019467
Energy: 1.6328372749203373
Energy: 1.8809001784733184
Energy: 1.6328372749203373
Energy: 1.8818786487415784
Energy: 1.6328631987733273
Energy: 1.882966012115903
Energy: 1.6328631987717124
Energy: 2.013646880886476
Energy: 1.8529858160387538
Energy: 2.009359560447689
Energy: 1.852985816040369
Energy: 1.800938139526667
Energy: 1.6928096164477053
Energy: 2.0478549009064673
Energy: 1.6928096164477053
Energy: 1.7992488257355697
Energy: 1.6931973076351658
Energy: 2.045582666904736
Energy: 1.6931973076335507
Energy: 1.9128312969064774
Energy: 1.7779078328165991
Energy: 2.051013544494976
Energy: 1.7779078328149838
Energy: 2.0260464325891796
Energy: 1.769954466531959
Energy: 1.7772678039112804
Energy: 1.769954466531959
Energy: 2.2831168933028625
Energy: 1.7699760062414618
Energy: 1.7775525634400398
Energy: 1.7699760062414618
Energy: 2.0181961532940473
Energy: 1.8092379003059254
Energy: 1.776364006163484
Energy: 1.8092379003075405
Energy: 2.082064391480342
Energy: 2.128323346025339
Energy: 2.401215624726972
Energy: 2.128323346036646
Energy: 1.777891706935887
Energy: 1.7699682669228738
Energy: 2.006392827352956
Energy: 1.7699682669228738
Energy: 1.776866348246678
Energy: 1.770664361832506
Energy: 1.7770322963608345
Energy: 1.7706643618308908

minimum gb energy = 1.6328372749203373 eV
minimum distance =  2.48138699193615 Angstroms
sigma value = 25


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

Energy: 2.248283078360966
Energy: 2.0594873131936478
Energy: 1.9933306781400608
Energy: 1.9893916100020412
Energy: 1.6604212055722307
Energy: 1.6657196952282336
Energy: 1.6673783864652276
Energy: 1.6657196952282336
Energy: 1.6596946983764058
Energy: 1.6621852973261302
Energy: 1.9377252383408368
Energy: 1.6621852973299138
Energy: 1.6617657566802788
Energy: 1.6613220585867576
Energy: 1.9106671198698462
Energy: 1.6613220585880193
Energy: 1.7732336483398208
Energy: 1.6619248192631808
Energy: 1.7467024685396089
Energy: 1.661924819264442
Energy: 1.9143246601311814
Energy: 1.5842717942052358
Energy: 1.653244539858517
Energy: 1.5842717942052358
Energy: 1.9154826262560136
Energy: 1.5849548798362039
Energy: 1.6565869444229138
Energy: 1.5849548798324202
Energy: 1.8203886326490062
Energy: 1.7354103128932465
Energy: 1.8179651045170027
Energy: 1.7354103128932465
Energy: 1.6772474497219012
Energy: 1.492652363439093
Energy: 1.8552334248770086
Energy: 1.4926523634365703
Energy: 1.682382935984872
Energy: 1.4932149118458808
Energy: 1.8493127501846267
Energy: 1.4932149118446192
Energy: 1.7430605065220715
Energy: 1.6776506803439428
Energy: 1.8427473204732423
Energy: 1.6776506803414202
Energy: 1.7447594462031089
Energy: 1.4626547907361038
Energy: 1.7420218964152738
Energy: 1.4626547907361038
Energy: 1.7434755973058171
Energy: 1.4628053672200383
Energy: 1.7436212809258926
Energy: 1.462805367218777
Energy: 1.8395818499877634
Energy: 1.4953508887710527
Energy: 1.7014937624401674
Energy: 1.4953508887697915
Energy: 1.8553407719054038
Energy: 1.4947109922090431
Energy: 1.6808894701294335
Energy: 1.4947109922115656
Energy: 1.854971686923753
Energy: 1.4936868947943462
Energy: 1.6767222598085698
Energy: 1.493686894793085
Energy: 1.7080291155512022
Energy: 1.5841574000438976
Energy: 1.8209005204946307
Energy: 1.5841574000438976
Energy: 1.6784348043256399
Energy: 1.584200260188008
Energy: 1.8517878721848013
Energy: 1.5842002601867469
Energy: 1.6514194018956592
Energy: 1.5845744671531425
Energy: 1.9967884181995523
Energy: 1.5845744671531425
Energy: 1.7463786962839885
Energy: 1.666103711507191
Energy: 1.6981757589212554
Energy: 1.666103711507191
Energy: 2.1485809882403206
Energy: 1.8224826099931852
Energy: 1.7550078736864811
Energy: 1.8224826099931852
Energy: 1.747343941726755
Energy: 1.6660079293988181
Energy: 1.6607929615390082
Energy: 1.6660079293988181
Energy: 1.6671280197795888
Energy: 1.6618152713183652
Energy: 2.1102050798602012
Energy: 1.6618152713158425
Energy: 1.9460073408880283
Energy: 1.6649834535423613
Energy: 2.0772490226573006
Energy: 1.664983453544884
Energy: 1.6608834194422124
Energy: 1.6666628799950771
Energy: 1.6608910993197958
Energy: 1.6666628799975995
Energy: 2.0594430774136803
Energy: 1.747640995394245
Energy: 1.6609720870965454
Energy: 1.747640995394245

minimum gb energy = 1.4626547907361038 eV
minimum distance =  2.46920311691283 Angstroms
sigma value = 41


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

Energy: 2.3459352546816326
Energy: 1.8838641881841376
Energy: 1.8262947756876566
Energy: 1.8335724141754368
Energy: 1.5572057880311536
Energy: 1.5617846596626401
Energy: 1.5580995360973708
Energy: 1.5617846596667764
Energy: 1.556146006850307
Energy: 1.5580859629180315
Energy: 1.610739435469036
Energy: 1.5580859629221675
Energy: 1.6720478846518088
Energy: 1.6351918820969178
Energy: 1.870315913672241
Energy: 1.6351918820969178
Energy: 1.6480654935885977
Energy: 1.5501719859605307
Energy: 1.542274694684294
Energy: 1.550171985965701
Energy: 1.8718657175686517
Energy: 1.4915013504460441
Energy: 1.5433849176750527
Energy: 1.4915013504470782
Energy: 1.8724506530570717
Energy: 1.49103217123848
Energy: 1.5667747653125832
Energy: 1.4910321712364119
Energy: 1.676656950076596
Energy: 1.6601306750766045
Energy: 1.5982219319888775
Energy: 1.660130675085911
Energy: 1.5446565413245972
Energy: 1.4023418359687565
Energy: 1.7649375098922555
Energy: 1.4023418359677227
Energy: 1.5445551997377613
Energy: 1.401245834986025
Energy: 1.7648678711678856
Energy: 1.4012458349880932
Energy: 1.6891320623865995
Energy: 1.3501694035163245
Energy: 1.6762860407388787
Energy: 1.3501694035173584
Energy: 1.7212542592766926
Energy: 1.350755108948729
Energy: 1.5763608666244266
Energy: 1.350755108948729
Energy: 1.6994547469679218
Energy: 1.3514108756499348
Energy: 1.57722723368484
Energy: 1.3514108756530367
Energy: 1.7024653843212534
Energy: 1.3329107815667551
Energy: 1.6339455926986137
Energy: 1.332910781565721
Energy: 1.6372721276444135
Energy: 1.3319282687883744
Energy: 1.6380510404532562
Energy: 1.3319282687945786
Energy: 1.64028777578259
Energy: 1.3323882303426868
Energy: 1.6671378707282445
Energy: 1.3323882303406187
Energy: 1.592070957918823
Energy: 1.3511351464380679
Energy: 1.702210431948418
Energy: 1.3511351464359997
Energy: 1.5763914888495338
Energy: 1.3500676333095771
Energy: 1.7215089391706033
Energy: 1.3500676333095771
Energy: 1.6252016765444428
Energy: 1.35019540975093
Energy: 1.7227536089851139
Energy: 1.3501954097529982
Energy: 1.67657724579869
Energy: 1.4013984353731628
Energy: 1.5697974356492765
Energy: 1.401398435372129
Energy: 1.820612160739129
Energy: 1.4041041556581717
Energy: 1.5458383810020193
Energy: 1.4041041556561034
Energy: 1.8336746105956965
Energy: 1.4051803280090112
Energy: 1.605600778237763
Energy: 1.4051803280090112
Energy: 1.5955554725785077
Energy: 1.4934817064075872
Energy: 1.6066192177321628
Energy: 1.4934817064075872
Energy: 1.541241472073876
Energy: 1.4914576494584353
Energy: 1.8158546684312806
Energy: 1.4914576494594693
Energy: 1.6208783769628154
Energy: 1.4938414510809692
Energy: 1.762194793900443
Energy: 1.4938414510820033
Energy: 1.891263002813273
Energy: 1.6262997576454101
Energy: 1.6593321295601635
Energy: 1.6262997576454101
Energy: 1.8637640985984452
Energy: 1.6254287218105594
Energy: 1.6340976200107216
Energy: 1.6254287218115933
Energy: 1.6208984512630817
Energy: 1.6200429578132067
Energy: 1.5551994497648989
Energy: 1.6200429578121724
Energy: 1.633800249684254
Energy: 1.5557223024884177
Energy: 2.0056328112464024
Energy: 1.5557223024863496
Energy: 1.5606048130338872
Energy: 1.5579357258382398
Energy: 2.0057878213930365
Energy: 1.5579357258331168
Energy: 1.5555645003317542
Energy: 1.5642963280208586
Energy: 1.5563317789825326
Energy: 1.5642963280177566
Energy: 1.891329241288706
Energy: 1.6356189123218194
Energy: 1.6354241277878123
Energy: 1.6356189123228533

minimum gb energy = 1.3319282687883744 eV
minimum distance =  2.47835543964588 Angstroms
sigma value = 15


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

Energy: 2.1134254665293146
Energy: 1.7933751050836975
Energy: 1.7440757633539594
Energy: 1.705639792475018
Energy: 1.4710866807190754
Energy: 1.4687791965987989
Energy: 1.4703850485468566
Energy: 1.4687791965926669
Energy: 1.4642682631988444
Energy: 1.4665182216545758
Energy: 1.5088362600034446
Energy: 1.4665182216537003
Energy: 1.5752727286286183
Energy: 1.5345795084362992
Energy: 1.7079348193866746
Energy: 1.5345795084319191
Energy: 1.5466271265347948
Energy: 1.4111443853728982
Energy: 1.4526462709625845
Energy: 1.4111443853764023
Energy: 1.7045188061896268
Energy: 1.4114358434570338
Energy: 1.4528659943093076
Energy: 1.4114358434570338
Energy: 1.7327298440852785
Energy: 1.4110339880890714
Energy: 1.5039550419004426
Energy: 1.4110339880969553
Energy: 1.5656854918389922
Energy: 1.4681321029316476
Energy: 1.4966614891614256
Energy: 1.4681321029333996
Energy: 1.4452130278416833
Energy: 1.3278454879452886
Energy: 1.7374177586960358
Energy: 1.3278454879461647
Energy: 1.4842480426235376
Energy: 1.3276454030573914
Energy: 1.7368189521715873
Energy: 1.3276454030565152
Energy: 1.6129954182326323
Energy: 1.272831785673085
Energy: 1.5562408968721373
Energy: 1.272831785672209
Energy: 1.6542762683144074
Energy: 1.2718604249230674
Energy: 1.4603924344284653
Energy: 1.2718604249178116
Energy: 1.623420798878089
Energy: 1.2719229436356057
Energy: 1.4950492834060907
Energy: 1.2719229436347295
Energy: 1.57269429132531
Energy: 1.2447241695656446
Energy: 1.5830832443047207
Energy: 1.244724169564848
Energy: 1.4985197153285594
Energy: 1.2393698074732429
Energy: 1.6195626171201416
Energy: 1.2393698074758708
Energy: 1.497749375013124
Energy: 1.2424179525323453
Energy: 1.6005842461315938
Energy: 1.2424179525314694
Energy: 1.5528233208457272
Energy: 1.2284864913893605
Energy: 1.5934415009881282
Energy: 1.2284864913919884
Energy: 1.5519994820195042
Energy: 1.227979900832308
Energy: 1.5518182557332696
Energy: 1.227979900832308
Energy: 1.5691913634066097
Energy: 1.2275161823245637
Energy: 1.5512386248113408
Energy: 1.2275161823254395
Energy: 1.596000582166389
Energy: 1.2437289343029165
Energy: 1.5079352870686025
Energy: 1.2437289343011646
Energy: 1.6200522993666753
Energy: 1.2428060709730306
Energy: 1.4983538567610757
Energy: 1.2428060709774105
Energy: 1.6181213928187335
Energy: 1.2435062476140466
Energy: 1.576147617524127
Energy: 1.2435062476149226
Energy: 1.4761962463550031
Energy: 1.2734450470668517
Energy: 1.5703864700907884
Energy: 1.2734450470668517
Energy: 1.4610976824062845
Energy: 1.2730978441403227
Energy: 1.6970632148569709
Energy: 1.2730978441473306
Energy: 1.5567690820624176
Energy: 1.2709339853561663
Energy: 1.709306110291397
Energy: 1.2709339853552903
Energy: 1.5575556146575906
Energy: 1.3292555204061798
Energy: 1.4650465867750684
Energy: 1.3292555204088077
Energy: 1.6960656309834468
Energy: 1.3282804235273213
Energy: 1.4450556532831476
Energy: 1.3282804235290733
Energy: 1.496044393358383
Energy: 1.3298769335963163
Energy: 1.501688652931061
Energy: 1.3298769335989442
Energy: 1.5019123319767613
Energy: 1.411711320128962
Energy: 1.731736967395234
Energy: 1.4117113201264135
Energy: 1.4537799745010955
Energy: 1.411544451082156
Energy: 1.7310041034155745
Energy: 1.411544451078652
Energy: 1.4559375905774725
Energy: 1.5431531419491153
Energy: 1.4913068356070662
Energy: 1.5431531419526194
Energy: 1.8383367049511647
Energy: 1.5347823549145694
Energy: 1.5657999344050406
Energy: 1.5347823549128177
Energy: 1.5776699599189097
Energy: 1.5265227660618408
Energy: 1.4693045289640532
Energy: 1.5265227660583367
Energy: 1.4490860759929418
Energy: 1.414673612159629
Energy: 1.5384498714498316
Energy: 1.4146736121526213
Energy: 1.7489868374114965
Energy: 1.7438207784787372
Energy: 1.6393092431992689
Energy: 1.743820778475233
Energy: 1.4704649063539166
Energy: 1.4663473992552631
Energy: 1.5269242634668132
Energy: 1.4663473992517593
Energy: 1.5090789530097615
Energy: 1.4695367003012285
Energy: 1.4681760595899467
Energy: 1.4695367003064843

minimum gb energy = 1.2275161823245637 eV
minimum distance =  2.46399998225276 Angstroms
sigma value = 85


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

Energy: 2.123536914204849
Energy: 1.610775995040398
Energy: 1.6121675606906904
Energy: 1.4868491103542645
Energy: 1.419493818816557
Energy: 1.35722672076416
Energy: 1.3576355363905215
Energy: 1.3572267207634003
Energy: 1.352180498246681
Energy: 1.3557993157821115
Energy: 1.455975927077155
Energy: 1.3557993157828714
Energy: 1.4592649214987816
Energy: 1.4212370884293486
Energy: 1.3650213400536053
Energy: 1.421237088428589
Energy: 1.37780270174974
Energy: 1.3105854868616846
Energy: 1.3438050673542261
Energy: 1.310585486863204
Energy: 1.366005423755148
Energy: 1.31175412201631
Energy: 1.3434581890821562
Energy: 1.3117541220193492
Energy: 1.3651669112306315
Energy: 1.3113006954486823
Energy: 1.3978983394147302
Energy: 1.3113006954479225
Energy: 1.389992686409087
Energy: 1.3590596016968992
Energy: 1.3886691365080919
Energy: 1.3590596016976588
Energy: 1.3374133998203057
Energy: 1.2388598355603595
Energy: 1.3668144164839229
Energy: 1.2388598355611193
Energy: 1.378530117267101
Energy: 1.2379863810711744
Energy: 1.374591988400379
Energy: 1.2379863810696548
Energy: 1.3740213285570733
Energy: 1.185113624463457
Energy: 1.436486856219439
Energy: 1.1851136244619376
Energy: 1.6082927433305951
Energy: 1.1847934396751136
Energy: 1.3480263467105824
Energy: 1.1847934396789124
Energy: 1.4451453565354588
Energy: 1.1847179695634977
Energy: 1.3820727714019145
Energy: 1.1847179695604586
Energy: 1.4446164023154358
Energy: 1.1496855379874427
Energy: 1.4923679779516572
Energy: 1.1496855379866828
Energy: 1.374646252531332
Energy: 1.149306117548775
Energy: 1.5436405819654582
Energy: 1.1493061175510544
Energy: 1.3982588593251446
Energy: 1.1497013517294843
Energy: 1.4682641885510577
Energy: 1.1497013517264454
Energy: 1.4884322489520403
Energy: 1.1288565060763909
Energy: 1.4658359149218219
Energy: 1.1288565060763909
Energy: 1.5158605907487444
Energy: 1.1293616153721937
Energy: 1.4130116704045776
Energy: 1.1293616153759924
Energy: 1.4817224890603402
Energy: 1.129073258298155
Energy: 1.4254038776712
Energy: 1.1290732582973952
Energy: 1.4620713892305601
Energy: 1.1234165305145618
Energy: 1.46260002145672
Energy: 1.123416530516841
Energy: 1.4604882852946148
Energy: 1.124345217397754
Energy: 1.4608950781522327
Energy: 1.1243452173954747
Energy: 1.4360311872103917
Energy: 1.1225586951311088
Energy: 1.4833262923837833
Energy: 1.1225586951318687
Energy: 1.4217117415598937
Energy: 1.1292175792541965
Energy: 1.5163530462567205
Energy: 1.1292175792557162
Energy: 1.4131192298866606
Energy: 1.129673189408613
Energy: 1.5161189642630009
Energy: 1.129673189408613
Energy: 1.467438646478747
Energy: 1.1304558632296473
Energy: 1.3955502122381152
Energy: 1.1304558632296473
Energy: 1.577925465954648
Energy: 1.148841461676601
Energy: 1.3907964705943345
Energy: 1.1488414616750815
Energy: 1.5777414762260265
Energy: 1.149610260055445
Energy: 1.37441045321973
Energy: 1.1496102600569644
Energy: 1.375834651182859
Energy: 1.4100915572084518
Energy: 1.444912724729691
Energy: 1.4100915572069321
Energy: 1.3668451104322599
Energy: 1.1844489542829213
Energy: 1.4935495358671962
Energy: 1.1844489542829213
Energy: 1.3479815375599649
Energy: 1.184599059575097
Energy: 1.4936725583923556
Energy: 1.1845990595743372
Energy: 1.436558867353717
Energy: 1.238485999916492
Energy: 1.3741347534625292
Energy: 1.238485999916492
Energy: 1.4874154193346136
Energy: 1.238230829270978
Energy: 1.3588142320011996
Energy: 1.238230829270978
Energy: 1.4750111663853813
Energy: 1.2394349103337345
Energy: 1.337667413622884
Energy: 1.2394349103344944
Energy: 1.3938218930729565
Energy: 1.3124116319373957
Energy: 1.3900452521771975
Energy: 1.3124116319358763
Energy: 1.3852649421775807
Energy: 1.3122666951465984
Energy: 1.6381079587167604
Energy: 1.3122666951488777
Energy: 1.344010197842645
Energy: 1.3125747422738143
Energy: 1.4277550449793803
Energy: 1.312574742271535
Energy: 1.3363794498925397
Energy: 1.3570305557985882
Energy: 1.3854776291672686
Energy: 1.3570305557993478
Energy: 1.4682919185551195
Energy: 1.463200446270676
Energy: 1.419800380932129
Energy: 1.4632004462714356
Energy: 1.3439279351950904
Energy: 1.356450930559383
Energy: 1.352321970736631
Energy: 1.3564509305563441
Energy: 1.3474972670459562
Energy: 1.35617047879998
Energy: 1.3378716743646009
Energy: 1.3561704787984603
Energy: 1.4186056066068968
Energy: 1.4211927846361947
Energy: 1.469268094366573
Energy: 1.4211927846361947
Energy: 1.352486177946591
Energy: 1.351359146428835
Energy: 1.419190102564514
Energy: 1.3513591463954058
Energy: 1.571156074508583
Energy: 1.4129155547281573
Energy: 1.418892770669375
Energy: 1.412915554725878

minimum gb energy = 1.1225586951311088 eV
minimum distance =  2.49908431734027 Angstroms
sigma value = 113


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

Energy: 0.019566390107247807