Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.92180147767067
cohesive_energy=5.8506096220346135
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.63321079540058e-19, 2.6184853382452197e-19, 3.4577535244334397e-19, 4.1875610029867796e-19, 4.833206142956099e-19, 5.40930079524348e-19, 5.92582652027874e-19, 6.390105265279259e-19, 6.80782475729574e-19, 7.18358324326776e-19, 7.521834774237839e-19, 7.826264356464179e-19, 8.09759296943208e-19, 8.337374724476519e-19, 8.5480128865485e-19, 8.73147813290784e-19, 8.889308553123178e-19, 9.022849975567079e-19, 9.133288010948698e-19, 9.22169611761282e-19, 9.289019579773498e-19, 9.336139594579439e-19, 9.36388929388032e-19, 9.3729736353951e-19, 9.363120249096e-19, 9.33109273818234e-19, 9.272693399873039e-19, 9.182859356004659e-19, 9.055278030639239e-19, 8.882146823569199e-19, 8.654253219149039e-19, 8.360462089772459e-19, 7.98707482521876e-19, 7.51714039670022e-19, 6.929429963816339e-19, 6.19744352504076e-19, 5.287631501657519e-19, 4.1576002999309796e-19, 2.75279580547344e-19, 9.99740595673026e-20, -1.197180026634114e-19, -3.96428166727254e-19, -7.47348108342372e-19, -1.19616104229489e-18, -1.7763172123494597e-18, -2.5358931327625198e-18, -3.54524839041618e-18, -4.91172881978844e-18, -6.804828686990159e-18, -9.500667113124898e-18, -1.34745458184351e-17, -1.9599266546058598e-17, -2.96011746191304e-17, -4.72534761195522e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.26270284990531e-25 eV

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

Energy: 0.01917112396375409
Energy: 0.11476365138794428
Energy: 0.5385790441011747
Energy: 0.11476365138794428
Energy: 0.11476365138794428
Energy: 0.6441875387953183
Energy: 0.11476365138794428
Energy: 0.6441875387958512
Energy: 0.5385790441006714
Energy: 0.11476365138794428
Energy: 0.01917112396375409
Energy: 0.11476365138794428
Energy: 0.11476365138741138
Energy: 0.6441875387958512
Energy: 0.11476365138794428
Energy: 0.6441875387953183

minimum gb energy = 0.01917112396375409 eV
minimum distance =  2.7128524887894 Angstroms
sigma value = 1


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

Energy: 1.19893113327197
Energy: 0.9034134532472111
Energy: 0.913969505997448
Energy: 0.9034134532465647
Energy: 0.865580155876141
Energy: 0.9601500291547841
Energy: 0.8644240583624114
Energy: 0.9601500291547841
Energy: 0.9036773901952362
Energy: 0.9123208771980135
Energy: 1.304804148004231
Energy: 0.9123208771973671
Energy: 0.8677324174423565
Energy: 0.8662578287589582
Energy: 0.8635599039538978
Energy: 0.8662578287589582
Energy: 1.1209269025039286
Energy: 0.8660872511363019
Energy: 0.8663593292951614
Energy: 0.8660872511363019
Energy: 0.9030583138338932
Energy: 0.941461669377029
Energy: 0.8674261495731004
Energy: 0.941461669377029
Energy: 0.8969051008390261
Energy: 0.906553529067094
Energy: 1.12011724643975
Energy: 0.906553529067094
Energy: 0.9037274027769012
Energy: 0.9065147572778325
Energy: 0.9498306211682918
Energy: 0.9065147572784787
Energy: 0.9839871854777581
Energy: 0.9319658556742081
Energy: 0.9545201360051544
Energy: 0.9319658556742081
Energy: 0.9932658568557402
Energy: 0.9327408509162523
Energy: 0.9437537481035765
Energy: 0.9327408509168986
Energy: 0.9400394943287228
Energy: 0.9318014738269845
Energy: 0.9865991442179647
Energy: 0.9318014738269845
Energy: 0.9043018158607301
Energy: 0.9299778447760975
Energy: 0.94537569062415
Energy: 0.9299778447760975
Energy: 0.8945210536571896
Energy: 0.9054569221359866
Energy: 0.8646737176279626
Energy: 0.9054569221366328
Energy: 0.8997650822419409
Energy: 0.9061752587133503
Energy: 0.8626293193272042
Energy: 0.9061752587133503
Energy: 0.8607859660452672
Energy: 0.8658171202256488
Energy: 0.8662237068631294
Energy: 0.8658171202256488
Energy: 0.8997665489941653
Energy: 0.8661156240447263
Energy: 0.8649080015815077
Energy: 0.8661156240447263
Energy: 0.9133836997205377
Energy: 0.9032851431093764
Energy: 0.8677625819120176
Energy: 0.9032851431093764
Energy: 0.8642092143959987
Energy: 0.8660845495712493
Energy: 0.8611723470538085
Energy: 0.8660845495712493
Energy: 0.8967014474175495
Energy: 0.9060605003581025
Energy: 0.9047830100230303
Energy: 0.9060605003581025
Energy: 0.9316354822279657
Energy: 0.866410220432628
Energy: 0.868087357050506
Energy: 0.866410220432628
Energy: 0.8662293588005329
Energy: 0.8684309700261676
Energy: 1.118416928129322
Energy: 0.868430970026814
Energy: 0.8668634377972633
Energy: 0.8667126686384659
Energy: 0.9066791431750614
Energy: 0.8667126686384659
Energy: 1.1168906986216571
Energy: 0.9077810785531667
Energy: 0.8978138361941824
Energy: 0.9077810785531667
Energy: 0.899198328377443
Energy: 0.9080040335207448
Energy: 0.9116502071436193
Energy: 0.9080040335207448
Energy: 0.9566610471164216
Energy: 0.9314106103658616
Energy: 0.9847049897804276
Energy: 0.9314106103658616
Energy: 0.9446688916291393
Energy: 0.9302016609799754
Energy: 0.9919634623075736
Energy: 0.9302016609799754
Energy: 0.9852335696171823
Energy: 0.9306665581009512
Energy: 0.934870134310945
Energy: 0.9306665581009512
Energy: 0.9471873794046979
Energy: 0.9296837294895427
Energy: 0.9032692880488844
Energy: 0.9296837294895427
Energy: 0.8647236843272161
Energy: 0.9049687845322553
Energy: 0.8954698318276941
Energy: 0.904968784531609
Energy: 0.8622614087241468
Energy: 0.9063730962763029
Energy: 0.904530848912986
Energy: 0.9063730962763029
Energy: 0.8659439213337157
Energy: 0.8661625743931329
Energy: 0.8618358256283567
Energy: 0.8661625743924866
Energy: 0.8655645174467088
Energy: 0.866127926912883
Energy: 0.9008630298852638
Energy: 0.866127926912883
Energy: 0.8655206157869672
Energy: 0.8678040571035199
Energy: 0.9146240006743072
Energy: 0.8678040571035199

minimum gb energy = 0.8607859660452672 eV
minimum distance =  2.52826583458226 Angstroms
sigma value = 1


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

Energy: 1.3725654996471084
Energy: 0.9385215957216334
Energy: 0.9448157790397909
Energy: 0.9385215957216334
Energy: 0.8974568672487283
Energy: 0.9958448893743386
Energy: 0.897910585626059
Energy: 0.9958448893743386
Energy: 0.9367378426101098
Energy: 0.9475254669909969
Energy: 1.261294506522423
Energy: 0.94752546699026
Energy: 0.9009624595118664
Energy: 0.8986644218459279
Energy: 0.8975722287023673
Energy: 0.8986644218459279
Energy: 0.8966245857423184
Energy: 0.8978289231059781
Energy: 0.8965698901422878
Energy: 0.8978289231052411
Energy: 0.9536439721721108
Energy: 0.9816233860066292
Energy: 0.8973244272676348
Energy: 0.9816233860066292
Energy: 0.942596775391655
Energy: 0.9502312520322899
Energy: 1.0697662304967857
Energy: 0.9502312520322899
Energy: 0.9581383688829167
Energy: 0.9523278651037083
Energy: 0.9465546977751285
Energy: 0.9523278651029714
Energy: 1.0710848947228153
Energy: 0.9748622556113333
Energy: 0.9896418211604506
Energy: 0.9748622556113333
Energy: 0.9586783755828793
Energy: 0.9804325103876226
Energy: 0.9561590354932571
Energy: 0.9804325103876226
Energy: 0.9006214953402272
Energy: 0.9471164934015737
Energy: 0.9453581976819965
Energy: 0.9471164934015737
Energy: 0.8988425121728182
Energy: 0.950411095147191
Energy: 0.9538200825888058
Energy: 0.950411095147191
Energy: 0.8972714258860046
Energy: 0.8990259456953612
Energy: 0.8959146888446787
Energy: 0.8990259456953612
Energy: 0.8978835316344319
Energy: 0.8991377755726411
Energy: 0.894908803892411
Energy: 0.8991377755726411
Energy: 0.9429025332210024
Energy: 0.9388165371077439
Energy: 0.9444333609503784
Energy: 0.9388165371077439
Energy: 0.8970248594183614
Energy: 0.8989033253258086
Energy: 0.8967220802804501
Energy: 0.8989033253265456
Energy: 0.9382579232693156
Energy: 0.9480638199055295
Energy: 0.9373896917221586
Energy: 0.9480638199055295
Energy: 0.9473490389867079
Energy: 0.8989529109574518
Energy: 0.9797314976537205
Energy: 0.8989529109567148
Energy: 0.9396728635230603
Energy: 0.9007328758312227
Energy: 0.9004383900112405
Energy: 0.9007328758312227
Energy: 0.9529554127110426
Energy: 0.8989799984888701
Energy: 0.8970798925754035
Energy: 0.8989799984881331
Energy: 0.9439458009195714
Energy: 0.9509664154423564
Energy: 1.0689399896295424
Energy: 0.9509664154423564
Energy: 0.9538723796943045
Energy: 0.9515800548636039
Energy: 0.9476055989967465
Energy: 0.9515800548636039
Energy: 0.9533965664270094
Energy: 0.9750779780686721
Energy: 0.9893612168723057
Energy: 0.9750779780686721
Energy: 0.9603387331969968
Energy: 0.9769274258175683
Energy: 0.9555616889737073
Energy: 0.9769274258168313
Energy: 0.9008395712501874
Energy: 0.9472823334003394
Energy: 0.9463559611131479
Energy: 0.9472823334003394
Energy: 0.8999712488894618
Energy: 0.949645420773772
Energy: 0.9545813703690214
Energy: 0.949645420773772
Energy: 0.8981500750048313
Energy: 0.8993370230802317
Energy: 0.8972065784747336
Energy: 0.8993370230802317
Energy: 0.8978419332901099
Energy: 0.8988555572232572
Energy: 0.8941538761084253
Energy: 0.8988555572239941
Energy: 0.8922434218099823
Energy: 0.9000503220435974
Energy: 0.9465663279019959
Energy: 0.9000503220435974

minimum gb energy = 0.8922434218099823 eV
minimum distance =  2.52439020762678 Angstroms
sigma value = 25


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

Energy: 1.31594697992963
Energy: 0.9781609862192789
Energy: 0.9814137375245119
Energy: 0.9781609862184224
Energy: 0.9372164246043105
Energy: 1.0314525201129778
Energy: 0.9348871526863247
Energy: 1.0314525201129778
Energy: 0.9770680385589638
Energy: 0.9827776279228332
Energy: 1.193981612142569
Energy: 0.9827776279228332
Energy: 0.9399396674964081
Energy: 0.9369037516098281
Energy: 0.9389900098947734
Energy: 0.9369037516098281
Energy: 0.9340668274878335
Energy: 0.9342304133987442
Energy: 0.934866760917506
Energy: 0.9342304133987442
Energy: 0.9786766765028534
Energy: 0.9367404183634824
Energy: 0.9365281459577487
Energy: 0.9367404183660522
Energy: 0.9792650818593365
Energy: 1.0018259639313591
Energy: 1.0076843786564742
Energy: 1.0018259639305023
Energy: 0.9818454568512347
Energy: 1.0038325586389396
Energy: 0.9603277122116369
Energy: 1.0038325586389396
Energy: 1.0137103811506811
Energy: 1.0001727184647071
Energy: 0.9471101153776091
Energy: 1.0001727184647071
Energy: 0.9825259094703114
Energy: 1.0008867604111806
Energy: 0.9366901154240992
Energy: 1.0008867604111806
Energy: 0.9215191444422488
Energy: 0.9344011238344732
Energy: 0.9312776397669054
Energy: 0.9344011238344732
Energy: 0.91977513112242
Energy: 0.9362814115540682
Energy: 0.9328488584729991
Energy: 0.9362814115540682
Energy: 0.9813627028210035
Energy: 0.978021937658917
Energy: 0.9191369038321157
Energy: 0.978021937658917
Energy: 0.9341931781050652
Energy: 0.9344741774881895
Energy: 0.944571390044323
Energy: 0.9344741774881895
Energy: 0.927103545792368
Energy: 0.9829241702011157
Energy: 0.9806319214931883
Energy: 0.9829241702011157
Energy: 0.9683516649054235
Energy: 0.9352514864354278
Energy: 0.9843924169416437
Energy: 0.9352514864362843
Energy: 0.9329736494127729
Energy: 0.9390904698527687
Energy: 0.9302132115984124
Energy: 0.9390904698527687
Energy: 0.9355233962816873
Energy: 0.936975691987961
Energy: 0.9373027667230523
Energy: 0.936975691987961
Energy: 1.0102194980496655
Energy: 1.0035774032032378
Energy: 0.9837006953308677
Energy: 1.0035774032032378
Energy: 0.9359247210014693
Energy: 1.004094538155776
Energy: 0.9840391796481357
Energy: 1.004094538155776
Energy: 0.9472875635039588
Energy: 1.0002078531332175
Energy: 1.0132948893682587
Energy: 1.0002078531332175
Energy: 0.9451777798561246
Energy: 1.0016870397694368
Energy: 0.9826306682066251
Energy: 1.0016870397694368
Energy: 0.9320377614177376
Energy: 0.9341396555347768
Energy: 0.9214312071553423
Energy: 0.9341396555347768
Energy: 0.9328725514124715
Energy: 0.9360819567161205
Energy: 0.9202646282300655
Energy: 0.9360819567161205
Energy: 0.9183205188696936
Energy: 0.9382889992463386
Energy: 0.9841080609137175
Energy: 0.9382889992463386

minimum gb energy = 0.9183205188696936 eV
minimum distance =  2.52241899132388 Angstroms
sigma value = 9


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

Energy: 1.2275865608777363
Energy: 1.0163352550649243
Energy: 1.0160230562644226
Energy: 1.0163352550649243
Energy: 1.0179358540919825
Energy: 1.061732975091741
Energy: 0.9798585108825114
Energy: 1.061732975091741
Energy: 1.0159771712872265
Energy: 1.017094902228575
Energy: 0.9854920314255193
Energy: 1.017094902229597
Energy: 0.983481479893177
Energy: 0.979026210920331
Energy: 0.9798907917089866
Energy: 0.979026210920331
Energy: 1.007773935203374
Energy: 0.9809429286304586
Energy: 0.97873809559287
Energy: 0.9809429286304586
Energy: 0.9835491124912719
Energy: 0.9866662353642833
Energy: 0.9844443104608109
Energy: 0.9866662353642833
Energy: 1.0044606691244629
Energy: 1.0578773019803946
Energy: 1.0186488934939792
Energy: 1.0578773019803946
Energy: 0.9847662001516375
Energy: 1.059122708511538
Energy: 0.9820766883715883
Energy: 1.059122708511538
Energy: 0.9755273146765532
Energy: 0.9816250753266761
Energy: 0.9424400469712015
Energy: 0.9816250753266761
Energy: 0.9797483268250465
Energy: 0.9830136026774157
Energy: 0.9418131781781361
Energy: 0.9830136026774157
Energy: 0.9369159479635262
Energy: 1.0172011292405216
Energy: 1.0153785339071053
Energy: 1.017201129235412
Energy: 1.0092292881591072
Energy: 0.9853023252529921
Energy: 0.9810130068911855
Energy: 0.9853023252529921
Energy: 1.017408414301903
Energy: 1.0177751236443615
Energy: 0.9822591611317057
Energy: 1.0177751236443615
Energy: 1.019677730359015
Energy: 0.9824937160468665
Energy: 1.004835175142721
Energy: 0.9824937160468665
Energy: 1.1138673791791314
Energy: 0.98799982857561
Energy: 0.9842318660847112
Energy: 0.98799982857561
Energy: 0.9860173863321141
Energy: 0.9809043186689057
Energy: 0.9883333407549252
Energy: 0.9809043186689057
Energy: 1.0093798359341721
Energy: 1.065215263989277
Energy: 0.9831164691823888
Energy: 1.065215263989277
Energy: 1.010366539622528
Energy: 1.0502371085903124
Energy: 0.9819691620063211
Energy: 1.0502371085903124
Energy: 0.9769908022669098
Energy: 0.9817781871715675
Energy: 0.9436395445932566
Energy: 0.9817781871705457
Energy: 0.9800922958952905
Energy: 0.9817739635329077
Energy: 0.9416579808033503
Energy: 0.9817739635339297
Energy: 0.9380073851126782
Energy: 0.9872480608345017
Energy: 1.0186473325353158
Energy: 0.9872480608345017

minimum gb energy = 0.9369159479635262 eV
minimum distance =  2.5174384515912 Angstroms
sigma value = 25


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

Energy: 1.0963683344197057
Energy: 1.0446951398601967
Energy: 1.043842757045442
Energy: 1.0446951398601967
Energy: 1.051441318186137
Energy: 1.0404901157403952
Energy: 0.9905389012913739
Energy: 1.0404901157403952
Energy: 1.0443137621288368
Energy: 1.0455369015899139
Energy: 1.040022647024898
Energy: 1.0455369015911773
Energy: 1.0478566054066634
Energy: 1.0411074461353615
Energy: 0.9918260459500874
Energy: 1.0411074461353615
Energy: 1.0169366471530488
Energy: 1.0458142540371993
Energy: 0.9977827231565324
Energy: 1.0458142540371993
Energy: 0.9658485813922473
Energy: 0.9968508626262684
Energy: 0.9967794535867188
Energy: 0.9968508626262684
Energy: 0.957103816439045
Energy: 1.0442730369022528
Energy: 0.9919623311035686
Energy: 1.044273036900989
Energy: 0.9557000038822472
Energy: 1.041963120754766
Energy: 0.9983538241207781
Energy: 1.041963120754766
Energy: 1.0422633372174368
Energy: 1.0456800094194445
Energy: 0.9563142976254245
Energy: 1.0456800094207084
Energy: 1.0464509516848606
Energy: 1.0416484152350474
Energy: 0.9558019120024118
Energy: 1.0416484152350474
Energy: 0.9559712372299065
Energy: 1.045769797526319
Energy: 1.0450764598968842
Energy: 1.045769797526319
Energy: 1.0323830504363776
Energy: 1.0441090360467002
Energy: 1.0476743601274174
Energy: 1.0441090360454364
Energy: 0.9910950025328962
Energy: 1.0462008273051824
Energy: 1.026209447091821
Energy: 1.0462008273051824
Energy: 0.9997141707206573
Energy: 1.0452977868184867
Energy: 0.9675834054681284
Energy: 1.0452977867376034
Energy: 0.9992513473617212
Energy: 1.0450718044771976
Energy: 0.9555624266281741
Energy: 1.045071804482253
Energy: 0.9969271045200973
Energy: 1.0513423516311409
Energy: 0.9564389786371722
Energy: 1.0513423516311409
Energy: 0.9544173919839789
Energy: 1.0463423459784058
Energy: 1.0476223717718043
Energy: 1.0463423459784058

minimum gb energy = 0.9544173919839789 eV
minimum distance =  2.51406506681621 Angstroms
sigma value = 17


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

Energy: 1.5731082732532786
Energy: 1.112540986314228
Energy: 1.1093083145227391
Energy: 1.1125409863149438
Energy: 1.023733074225158
Energy: 1.0529054685801364
Energy: 1.1184155816192134
Energy: 1.0529054685801364
Energy: 1.0219693623840036
Energy: 1.0248564734609515
Energy: 1.1117248327279436
Energy: 1.0248564734609515
Energy: 1.0253794381072063
Energy: 1.0793502434214848
Energy: 1.0479159219903387
Energy: 1.0793502434214848
Energy: 1.0988916068427266
Energy: 1.1023276976004281
Energy: 1.0423088367684177
Energy: 1.1023276976004281
Energy: 1.0532354312037158
Energy: 1.0875911358654078
Energy: 1.0514847607933733
Energy: 1.0875911358646921
Energy: 1.1008682887039207
Energy: 1.0221747103119685
Energy: 1.019916152596593
Energy: 1.0221747103112526
Energy: 1.1149413283937166
Energy: 1.0502093630066973
Energy: 1.0231098436627086
Energy: 1.0502093630066973
Energy: 1.1148197521914893
Energy: 1.1144844205356963
Energy: 1.1070873487807003
Energy: 1.1144844205356963
Energy: 1.1148136816549128
Energy: 1.0845012227733077
Energy: 1.095507216690411
Energy: 1.0845012227747393
Energy: 1.0414080985708931
Energy: 1.0317407807370134
Energy: 1.0020531086212154
Energy: 1.0317407806511876
Energy: 1.114607509227978
Energy: 1.0341317641105292
Energy: 1.0116618784472717
Energy: 1.0341317641105292
Energy: 1.1057663855729516
Energy: 1.0265037676381306
Energy: 1.019208877460902
Energy: 1.0265037676381306
Energy: 1.107616930449581
Energy: 1.0486260518757315
Energy: 1.0020693007040613
Energy: 1.0486260518757315
Energy: 1.1146943674804495
Energy: 1.1090619271886446
Energy: 1.1131447215204209
Energy: 1.1090619271886446
Energy: 1.1141324728455144
Energy: 1.1106835827685098
Energy: 1.1127701418758187
Energy: 1.1106835827692254
Energy: 1.109465218097721
Energy: 1.049196611765118
Energy: 1.0244493320889574
Energy: 1.0491966117636864
Energy: 1.12216940317904
Energy: 1.049954433670236
Energy: 1.0201315286496324
Energy: 1.0499544336709519
Energy: 1.0480378973268303
Energy: 1.1081023125385303
Energy: 1.0484883986139562
Energy: 1.1081023125378147
Energy: 1.0573773350698719
Energy: 1.1045170357329293
Energy: 1.0491968633825826
Energy: 1.1045170357329293
Energy: 1.025205355696322
Energy: 1.050245188308026
Energy: 1.1161282193069888
Energy: 1.050245188308026
Energy: 1.0219825641323264
Energy: 1.0225127346499288
Energy: 1.1039192052616138
Energy: 1.0225127346499288
Energy: 1.0569924914946924
Energy: 1.0824834823131158
Energy: 1.1131822711029102
Energy: 1.0824834823124
Energy: 1.1237006168426207
Energy: 1.114238487484869
Energy: 1.1124195675808024
Energy: 1.114238487484869
Energy: 1.0057431183813483
Energy: 1.05023822560204
Energy: 1.1292166832851314
Energy: 1.05023822560204
Energy: 1.0131798749497647
Energy: 1.0279842365418654
Energy: 1.0857451828734483
Energy: 1.0279842365411496
Energy: 1.007164030467985
Energy: 1.0081851904751156
Energy: 1.1151159238402468
Energy: 1.0081851904758312
Energy: 1.0189910965651654
Energy: 1.0274156361842364
Energy: 1.110350492264675
Energy: 1.0274156361863838
Energy: 1.0057945358312363
Energy: 1.0507303347517367
Energy: 1.0557571035977245
Energy: 1.0507303347517367
Energy: 1.105852637088852
Energy: 1.1127584560665835
Energy: 1.1084137040581818
Energy: 1.1127584560665835

minimum gb energy = 1.0020531086212154 eV
minimum distance =  2.54802278119736 Angstroms
sigma value = 53


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

Energy: 1.4238519078787681
Energy: 1.0449001808108853
Energy: 1.0307932258080394
Energy: 1.0449001808092375
Energy: 1.0435054968315007
Energy: 0.9763664548199666
Energy: 1.0356238036357697
Energy: 0.9763664548199666
Energy: 1.0290494155527408
Energy: 1.0430465951033052
Energy: 1.1315855368095895
Energy: 1.0430465951033052
Energy: 1.052858032668039
Energy: 0.9765794028895498
Energy: 1.1273523639260725
Energy: 0.9765794028879018
Energy: 1.0465691784765323
Energy: 0.9890522136800035
Energy: 0.9217779593953258
Energy: 0.9890522136816512
Energy: 1.1232013059700356
Energy: 0.9787649068853791
Energy: 0.9101737817076535
Energy: 0.9787649068853791
Energy: 1.1301685729009794
Energy: 1.0437025416241712
Energy: 1.0390486485189347
Energy: 1.0437025416241712
Energy: 1.1321294093445318
Energy: 0.9774151109973632
Energy: 1.0393183819860838
Energy: 0.9774151109973632
Energy: 1.030106723868433
Energy: 1.0445858731281672
Energy: 1.1101790891206587
Energy: 1.0445858731281672
Energy: 1.0479630364820582
Energy: 0.9773670236367996
Energy: 1.0334251818373685
Energy: 0.9773670236367996
Energy: 1.04520094376749
Energy: 0.9949651025939993
Energy: 0.9114332308259697
Energy: 0.9949651025939993
Energy: 1.1238493428764391
Energy: 0.9846056015088681
Energy: 0.918742515519745
Energy: 0.9846056015088681
Energy: 1.133128297912146
Energy: 0.978038393549734
Energy: 1.0434010327755299
Energy: 0.978038393549734

minimum gb energy = 0.9101737817076535 eV
minimum distance =  2.57053398944138 Angstroms
sigma value = 9


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

Energy: 1.4013954713902315
Energy: 1.1478702357468589
Energy: 1.1548189668349815
Energy: 1.147870235746249
Energy: 1.0188273971290083
Energy: 1.019172921600579
Energy: 1.153547525163292
Energy: 1.0191729216066778
Energy: 1.006577583871524
Energy: 1.013253249065975
Energy: 1.2725709362859512
Energy: 1.013253249065975
Energy: 1.0122663408946355
Energy: 1.0161342267334457
Energy: 1.325227992135426
Energy: 1.0161342267334457
Energy: 1.0200221663634055
Energy: 1.019954004868854
Energy: 1.2476906705672113
Energy: 1.019954004868854
Energy: 1.012543568528976
Energy: 1.0196427362566687
Energy: 1.2469977877145302
Energy: 1.0196427362566687
Energy: 1.2296631183431763
Energy: 1.1481001131122706
Energy: 1.1574058160813214
Energy: 1.1481001131122706
Energy: 1.1976914027309276
Energy: 1.0153981373514602
Energy: 1.1542468904334258
Energy: 1.0153981373508503
Energy: 1.0680038193310748
Energy: 1.0974474791231614
Energy: 1.1039528391642766
Energy: 1.0974474791225517
Energy: 1.0209564897274106
Energy: 1.0185391496771734
Energy: 1.2114385071412563
Energy: 1.0185391496771734
Energy: 1.0609026588234787
Energy: 1.0573897431883819
Energy: 1.147159354568091
Energy: 1.0573897431889918
Energy: 1.0602238600444425
Energy: 1.0520022532280218
Energy: 1.293455527079854
Energy: 1.0520022532280218
Energy: 1.19247230026381
Energy: 1.0579675970014055
Energy: 1.058359466639459
Energy: 1.0579675970014055
Energy: 1.2028393959658683
Energy: 1.0556538946141536
Energy: 1.0450573628574875
Energy: 1.0556538946135439
Energy: 1.2338497552645191
Energy: 1.059254910842618
Energy: 1.0867217713523591
Energy: 1.059254910842618
Energy: 1.1810758799197876
Energy: 1.1035417344914666
Energy: 1.0847566594381266
Energy: 1.1035417344914666
Energy: 1.1557790177875569
Energy: 1.0190037906260498
Energy: 1.0819735854808272
Energy: 1.019003790635198
Energy: 1.1502141068893383
Energy: 1.1485602987224683
Energy: 1.2889420463630623
Energy: 1.1485602987218586
Energy: 1.154314704660825
Energy: 1.0183383172914382
Energy: 1.080993063216174
Energy: 1.0183383172914382
Energy: 1.298586017460546
Energy: 1.0077189935475732
Energy: 1.0073901946184234
Energy: 1.0077189935469633
Energy: 1.2367755998887289
Energy: 1.0162750248093433
Energy: 1.0135968277350025
Energy: 1.0162750247843384
Energy: 1.247648174667503
Energy: 1.0188089118843726
Energy: 1.0228308376897202
Energy: 1.0188089118849823
Energy: 1.2473039487610518
Energy: 1.0191689030019608
Energy: 1.0135407154733196
Energy: 1.0191689018918757
Energy: 1.1603756322369265
Energy: 1.147341754102859
Energy: 1.1851614932222954
Energy: 1.147341754102859
Energy: 1.1568843247375888
Energy: 1.0155795415442377
Energy: 1.197700459510507
Energy: 1.0155795415442377
Energy: 1.101786920512865
Energy: 1.0272811178700927
Energy: 1.064687782910867
Energy: 1.027281117869483
Energy: 1.212810923124694
Energy: 1.0193947934225378
Energy: 1.0225302523722841
Energy: 1.0193947934225378
Energy: 1.1509257627441607
Energy: 1.0571264857235891
Energy: 1.0628453750225297
Energy: 1.0571264857229792
Energy: 1.313654454453577
Energy: 1.0531589803645571
Energy: 1.0593347616230646
Energy: 1.0531589803651673
Energy: 1.0569787028716808
Energy: 1.0575745441257247
Energy: 1.1950754643334234
Energy: 1.0575745441263347
Energy: 1.044970988691668
Energy: 1.0520658904411853
Energy: 1.2491945503474098
Energy: 1.0520658904417948
Energy: 1.076018949644232
Energy: 1.0585549717011447
Energy: 1.2341803307728152
Energy: 1.0585549717011447
Energy: 1.0846896759300595
Energy: 1.1056096508692639
Energy: 1.1620028777078921
Energy: 1.105609650868654
Energy: 1.0811730910361323
Energy: 1.0196876028574062
Energy: 1.1373199536254803
Energy: 1.0196876028567965
Energy: 1.2889559047791577
Energy: 1.1475565481218184
Energy: 1.1453404332010901
Energy: 1.1475565481218184

minimum gb energy = 1.006577583871524 eV
minimum distance =  2.54768254141197 Angstroms
sigma value = 73


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

Energy: 1.401497871133651
Energy: 1.11525882286345
Energy: 1.1151974032518444
Energy: 1.11525882286345
Energy: 1.0393056221230865
Energy: 1.105418995667626
Energy: 1.1147482823660066
Energy: 1.105418995667626
Energy: 1.036659929264848
Energy: 1.0290994908955076
Energy: 1.2258345800907988
Energy: 1.0290994908955076
Energy: 1.0305161005966157
Energy: 1.0386418034944305
Energy: 1.299219098331892
Energy: 1.0386418034944305
Energy: 1.0421537339176983
Energy: 1.0370436273480172
Energy: 1.2574891400936508
Energy: 1.0370436273480172
Energy: 1.0321741777362594
Energy: 1.0402182990750084
Energy: 1.1555660631520661
Energy: 1.0402182990750084
Energy: 1.0548993178198451
Energy: 1.1801839901947768
Energy: 1.1553197985559729
Energy: 1.1801839901947768
Energy: 1.0905523213558252
Energy: 1.0384329088281319
Energy: 1.1576248455388645
Energy: 1.0384329088281319
Energy: 1.0561202104213332
Energy: 1.03500838128845
Energy: 1.209559110518331
Energy: 1.03500838128845
Energy: 1.0792382613210503
Energy: 1.1170167406893061
Energy: 1.2115368579549926
Energy: 1.1170167406883384
Energy: 1.0484004917572438
Energy: 1.0345263354335053
Energy: 0.9969583648756835
Energy: 1.0345263354335053
Energy: 1.0372500997315113
Energy: 0.9967741960028682
Energy: 1.2257860395049611
Energy: 0.996774196003836
Energy: 1.198422722133274
Energy: 1.0368856004328033
Energy: 1.0715459272044963
Energy: 1.0368856004328033
Energy: 1.1982521014524252
Energy: 1.080032882444009
Energy: 1.0679578693109621
Energy: 1.080032882444009
Energy: 1.1747560893970497
Energy: 1.0583799923224164
Energy: 1.0703826613381469
Energy: 1.0583799923224164
Energy: 1.2594727875114042
Energy: 1.0657206082323085
Energy: 1.0618876290499102
Energy: 1.0657206082323085
Energy: 1.191506099120019
Energy: 1.079920653365045
Energy: 1.071331820858743
Energy: 1.079920653365045
Energy: 1.1199669855546106
Energy: 1.1208212292913546
Energy: 1.2420982550152853
Energy: 1.1208212292913546
Energy: 1.13450288838318
Energy: 1.0787991775613748
Energy: 1.0924021467705198
Energy: 1.0787991775613748
Energy: 1.1917232358291356
Energy: 1.0859696198249398
Energy: 1.1556886301151361
Energy: 1.0859696198249398
Energy: 1.1672414383835563
Energy: 1.113275613157483
Energy: 1.0935899706898498
Energy: 1.113275613157483
Energy: 1.2017083130962345
Energy: 1.1056875012006062
Energy: 1.1142612693745044
Energy: 1.1056875011638807

minimum gb energy = 0.9967741960028682 eV
minimum distance =  2.53171782506692 Angstroms
sigma value = 7


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

Energy: 1.4976313161262447
Energy: 1.1207443696409314
Energy: 1.1238863440447404
Energy: 1.1207443696409314
Energy: 1.0447359625109895
Energy: 1.049794341779297
Energy: 1.1250618111794037
Energy: 1.0497943417786129
Energy: 1.0343405988411256
Energy: 1.0516763058257208
Energy: 1.1577727086052354
Energy: 1.0516763058257208
Energy: 1.0335501294681788
Energy: 1.0441048187178936
Energy: 1.236905884509771
Energy: 1.0441048187178936
Energy: 1.0265847531704355
Energy: 1.0597426355432078
Energy: 1.2313156667312033
Energy: 1.059742635543892
Energy: 1.0301805441491967
Energy: 1.059468583242014
Energy: 1.2281533654622685
Energy: 1.059468583242014
Energy: 1.1673371627542346
Energy: 1.02992417133948
Energy: 1.029734725923012
Energy: 1.02992417133948
Energy: 1.1622317321951319
Energy: 1.056292365071159
Energy: 1.0293032856304065
Energy: 1.056292365070475
Energy: 1.1718909587469515
Energy: 1.0528175523216021
Energy: 1.0362358382546328
Energy: 1.0528175523216021
Energy: 1.275118790213492
Energy: 1.0550817836103596
Energy: 1.0355800751968005
Energy: 1.0550817836103596
Energy: 1.1376362121177037
Energy: 1.0381450038548428
Energy: 1.0252795151167002
Energy: 1.0381450038548428
Energy: 1.1202674928877197
Energy: 1.1187132250984682
Energy: 1.154308867576076
Energy: 1.1187132250984682
Energy: 1.1371906901279512
Energy: 1.0510243836215318
Energy: 1.1502159536180794
Energy: 1.0510243836790054
Energy: 1.1466547710777815
Energy: 1.0885145895054187
Energy: 1.0626077000478775
Energy: 1.0885145895054187
Energy: 1.1434753646385971
Energy: 1.0529571100913528
Energy: 1.044083898292509
Energy: 1.0529571100934054
Energy: 1.0331750313776533
Energy: 1.123957211822437
Energy: 1.1162465591810782
Energy: 1.123957211822437
Energy: 1.1420872356437062
Energy: 1.0406784796171453
Energy: 1.1280612229993061
Energy: 1.0406784796274084
Energy: 1.0376512950640562
Energy: 1.0559442364645653
Energy: 1.156053623375854
Energy: 1.0559442364645653
Energy: 1.0360956110132207
Energy: 1.0491495865164233
Energy: 1.1297438569487226
Energy: 1.0491495865164233
Energy: 1.0338487757077288
Energy: 1.0560104366863485
Energy: 1.037820966918214
Energy: 1.0560104366863485
Energy: 1.0305409202634492
Energy: 1.0959918811524225
Energy: 1.233015014196664
Energy: 1.0959918811517384
Energy: 1.1214293384630685
Energy: 1.0540955032692043
Energy: 1.0310998025444813
Energy: 1.0540955032692043
Energy: 1.1657257719256067
Energy: 1.03676569609192
Energy: 1.0276602922052775
Energy: 1.0367656960926046
Energy: 1.1655760116246512
Energy: 1.0446377552727097
Energy: 1.032445817848085
Energy: 1.0446377552727097
Energy: 1.2512286447993648
Energy: 1.0511694020602018
Energy: 1.0321526392771638
Energy: 1.0511694020602018
Energy: 1.2281624653926433
Energy: 1.048260975025997
Energy: 1.0399510438084023
Energy: 1.0482609750246283
Energy: 1.1212239217204156
Energy: 1.1233171787185494
Energy: 1.3860923551473345
Energy: 1.1233171787185494
Energy: 1.1314028886145844
Energy: 1.0386643092120125
Energy: 1.1470737578169605
Energy: 1.0386643092106438
Energy: 1.1557218993534937
Energy: 1.0792158360949473
Energy: 1.1354497893270348
Energy: 1.0792158360949473
Energy: 1.1462921071388716
Energy: 1.1199055274693226
Energy: 1.046992115206977
Energy: 1.1199055274686385
Energy: 1.0336412638413068
Energy: 1.1342344274713985
Energy: 1.1156861045828894
Energy: 1.1342344274713985

minimum gb energy = 1.0252795151167002 eV
minimum distance =  2.51846334878278 Angstroms
sigma value = 29


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

Energy: 0.9730823494385017
Energy: 0.9888572088597716
Energy: 1.0302212550572398
Energy: 0.9888573082020193
Energy: 1.0146276859814518
Energy: 0.9702906117221347
Energy: 1.018160165775036
Energy: 0.9702906117221347
Energy: 0.9964857870438593
Energy: 0.9921139622682532
Energy: 0.9742555084094872
Energy: 0.9921139622402891
Energy: 0.978035330558657
Energy: 0.9664651969187874
Energy: 0.9925907085813234
Energy: 0.9664651969187874
Energy: 0.9762819326814437
Energy: 0.9873789829272984
Energy: 0.9662181016388597
Energy: 0.9873789829272984
Energy: 0.9929942849402562
Energy: 0.9866033834562853
Energy: 0.9666491451221048
Energy: 0.9866033834329822
Energy: 0.9643947984195081
Energy: 0.9846575089674758
Energy: 0.9933674888295496
Energy: 0.9846575089674758
Energy: 1.0171448371709264
Energy: 0.9717922790434602
Energy: 0.9753613280694048
Energy: 0.9717922790434602
Energy: 0.9687109073433221
Energy: 0.9693174486872266
Energy: 0.9870084170474955
Energy: 0.9693174486872266

minimum gb energy = 0.9643947984195081 eV
minimum distance =  2.58797328545036 Angstroms
sigma value = 5


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

Energy: 1.266154488270924
Energy: 1.1092887248071313
Energy: 1.0144836161112933
Energy: 1.1092887248026069
Energy: 1.0821384105516276
Energy: 1.0076834609403325
Energy: 1.1134433168135416
Energy: 1.0076834609403325
Energy: 1.1146957768896348
Energy: 1.0842828000034643
Energy: 1.142485582216311
Energy: 1.0842828000041105
Energy: 1.0343558094078995
Energy: 1.08239988115124
Energy: 1.079172295359534
Energy: 1.0823998811505937
Energy: 1.0747847707228084
Energy: 1.0196999762419108
Energy: 1.1036518854602875
Energy: 1.0196999762419108
Energy: 1.0213866463664805
Energy: 1.008804815026606
Energy: 1.1032055010779813
Energy: 1.0088048150272522
Energy: 1.0064354013179218
Energy: 1.0098483056934153
Energy: 1.0728317751776608
Energy: 1.009848305692769
Energy: 1.011974107949569
Energy: 1.0081492513007506
Energy: 0.9746325660500558
Energy: 1.0081492513007506
Energy: 1.0131778990530689
Energy: 1.0347974283799388
Energy: 0.9780977610595024
Energy: 1.0347974283799388
Energy: 1.148968357340846
Energy: 0.983163721752975
Energy: 0.9865190635519895
Energy: 0.9831637217523286
Energy: 1.015970328313
Energy: 0.9780002054488535
Energy: 0.9770754563511387
Energy: 0.9780002054482072
Energy: 0.9747403411361683
Energy: 0.9801791766421107
Energy: 0.9754350891491448
Energy: 0.9801791766421107
Energy: 0.9721612953020123
Energy: 0.9922827303341366
Energy: 0.9821255926622512
Energy: 0.9922827303334903
Energy: 1.0178990669682366
Energy: 1.0385854282171596
Energy: 1.1125959888740744
Energy: 1.0385854282178058
Energy: 1.0033000497742173
Energy: 1.0106555787439018
Energy: 1.1113872401274005
Energy: 1.0106555787439018
Energy: 1.0048744394965332
Energy: 1.0069413602177653
Energy: 1.0831149103382165
Energy: 1.0069413602177653
Energy: 1.0092783031407775
Energy: 1.0242277201287573
Energy: 1.033091903553114
Energy: 1.0242277201332812
Energy: 1.062808627857839
Energy: 1.0075865463443914
Energy: 0.9819875488224155
Energy: 1.0075865463443914
Energy: 1.1484267119378126
Energy: 1.0848301180981137
Energy: 1.1138800834498843
Energy: 1.0848301180981137
Energy: 1.0872136403241615
Energy: 1.0890634616041681
Energy: 1.0350279072323154
Energy: 1.0890634616041681
Energy: 1.1035477778546074
Energy: 1.007997428794079
Energy: 1.0753861011191683
Energy: 1.007997428794079
Energy: 1.1037272113632621
Energy: 1.023180194644365
Energy: 1.0250534190286784
Energy: 1.023180194644365
Energy: 1.059700326482921
Energy: 1.0080481143030515
Energy: 1.0048380627784381
Energy: 1.0080481143030515
Energy: 0.9765092151103875
Energy: 1.0070257876490762
Energy: 1.0078280802403634
Energy: 1.0070257876490762
Energy: 0.9798822180679984
Energy: 1.031602058258777
Energy: 1.0124599728442993
Energy: 1.031602058258777
Energy: 0.9886974829222518
Energy: 0.9836018544208074
Energy: 1.1487528987430151
Energy: 0.9836018544259779
Energy: 0.9799565608382681
Energy: 0.9777006358864617
Energy: 1.0133603626961842
Energy: 0.9777006358864617
Energy: 0.986230269808287
Energy: 0.9788497638714251
Energy: 1.0402597443447037
Energy: 0.9788497638720713
Energy: 0.9818812714295932
Energy: 0.9873619905777717
Energy: 0.9719576253186947
Energy: 0.9873619905777717
Energy: 1.1101917158425336
Energy: 1.0331370260352486
Energy: 1.0730108218815957
Energy: 1.0331370260352486
Energy: 1.1143792168588718
Energy: 1.011102942237346
Energy: 1.004389686278529
Energy: 1.011102942237346
Energy: 1.1357078553423505
Energy: 1.0063782988002021
Energy: 1.0074701245869582
Energy: 1.0063782987995558
Energy: 1.031658517818075
Energy: 1.026856697994137
Energy: 1.0089353812523154
Energy: 1.0268566979947833

minimum gb energy = 0.9719576253186947 eV
minimum distance =  2.53369753129882 Angstroms
sigma value = 1


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

Energy: 1.3152748980359432
Energy: 0.9734844148349235
Energy: 1.0718542095635282
Energy: 0.9734844148340299
Energy: 0.9754485240726384
Energy: 0.9669934524174503
Energy: 0.9873079095843217
Energy: 0.9669934524174503
Energy: 1.0119855407303966
Energy: 1.0638347770974015
Energy: 0.987815660034593
Energy: 1.0638347770974015
Energy: 0.9942760230997344
Energy: 1.0646609886736649
Energy: 1.0079585134592106
Energy: 1.0646609886736649
Energy: 1.0062509936647068
Energy: 0.9737871547507209
Energy: 1.032682235390436
Energy: 0.9737871547507209
Energy: 0.9753084796854353
Energy: 0.9737459873495494
Energy: 1.0006397482745397
Energy: 0.9737459873495494
Energy: 0.9621247110611012
Energy: 0.9671213821341293
Energy: 1.008377502637432
Energy: 0.9671213821341293
Energy: 0.967151370149565
Energy: 0.9694375091569634
Energy: 0.9427587755983491
Energy: 0.9694375091569634
Energy: 1.0092681641518797
Energy: 1.0099125416033603
Energy: 0.9279950970144087
Energy: 1.0099125416033603
Energy: 1.0023450340710873
Energy: 0.9690790409596436
Energy: 0.9699078441454065
Energy: 0.9690790409596436
Energy: 1.0080807475459035
Energy: 0.9674051896835295
Energy: 0.9645566942747015
Energy: 0.9674051896835295
Energy: 0.9279486356998786
Energy: 0.9708844090505231
Energy: 0.9785671506856672
Energy: 0.9708844090505231
Energy: 0.9256498259187881
Energy: 0.9670777042604517
Energy: 1.0021917427758795
Energy: 0.9670777042631326
Energy: 1.005914689187267
Energy: 1.0639193204205804
Energy: 0.9885914908116878
Energy: 1.0639193204205804
Energy: 0.9943658951086892
Energy: 1.0625027408456558
Energy: 0.9877242152041619
Energy: 1.0625027408447625
Energy: 0.9974175605410331
Energy: 0.9684456945151902
Energy: 0.9671621474606885
Energy: 0.9684456945142966
Energy: 1.0076526362155953
Energy: 0.9750488214003961
Energy: 0.9993845786788327
Energy: 0.9750488214003961
Energy: 0.9704758106414458
Energy: 0.9682227082833884
Energy: 1.0291244760817766
Energy: 0.9682227082833884
Energy: 0.9652564449757803
Energy: 0.9689196753308467
Energy: 0.9281290032607353
Energy: 0.9689196753308467
Energy: 0.9685121055104847
Energy: 0.985067601267735
Energy: 0.9337093120727448
Energy: 0.985067601267735
Energy: 0.9992454895582905
Energy: 1.013477950351274
Energy: 0.9868580062455984
Energy: 1.013477950351274
Energy: 1.0017642109661773
Energy: 0.9725766402638308
Energy: 0.9666466962051165
Energy: 0.9725766402638308
Energy: 0.9668380829260713
Energy: 0.9660218582587217
Energy: 0.9629671603057286
Energy: 0.9660218574440859
Energy: 0.9264337648325628
Energy: 0.9668783891799977
Energy: 0.9820220772634479
Energy: 0.9668783891799977

minimum gb energy = 0.9256498259187881 eV
minimum distance =  2.51635474728702 Angstroms
sigma value = 17


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

Energy: 1.3827239473836699
Energy: 0.9778701154889079
Energy: 1.0962190392160998
Energy: 0.9778701154784636
Energy: 0.9781067421508309
Energy: 0.9672190917559239
Energy: 1.0726160165933947
Energy: 0.9672190917554219
Energy: 1.1493768035561163
Energy: 1.0821891809405986
Energy: 1.0765242259007963
Energy: 1.082189180939996
Energy: 1.1672707911926936
Energy: 1.1364349473776225
Energy: 1.0230243170361546
Energy: 1.1364349473781248
Energy: 1.062498021569124
Energy: 0.9475057812679037
Energy: 1.070169524654734
Energy: 0.9475057812679037
Energy: 0.953143127533729
Energy: 0.9471293455815792
Energy: 1.0684311393363122
Energy: 0.9471293455815792
Energy: 0.9443243053003184
Energy: 0.944359051592811
Energy: 1.0168250791973654
Energy: 0.9443590515933131
Energy: 0.9617982715852303
Energy: 0.9462972807832896
Energy: 0.9591753633974743
Energy: 0.9462972807838921
Energy: 1.071373826486728
Energy: 0.9468946304719803
Energy: 1.153319658375816
Energy: 0.9468946304713778
Energy: 1.078186879143033
Energy: 0.9680413369364593
Energy: 1.0732205447047292
Energy: 0.9680413369364593
Energy: 1.0661796842668645
Energy: 1.031777288886023
Energy: 0.984677458767622
Energy: 1.031777288886023
Energy: 1.075435578457608
Energy: 0.9684245676415465
Energy: 1.0750719291325304
Energy: 0.9684245676420488
Energy: 0.9654823284920944
Energy: 0.979157974810585
Energy: 0.9961221777060987
Energy: 0.9791579748111876
Energy: 0.9677447317428538
Energy: 0.9643749961216352
Energy: 0.9653135880820206
Energy: 0.9643749961216352
Energy: 1.1611245373265
Energy: 0.9652441634868031
Energy: 0.9699838427663118
Energy: 0.9652441634868031
Energy: 0.9576939956746829
Energy: 0.9718452121525897
Energy: 0.9672198673175004
Energy: 0.9718452121519873
Energy: 0.9703556354994411
Energy: 0.9737021317481555
Energy: 1.062515451744014
Energy: 0.973702131745444
Energy: 0.970568275058484
Energy: 0.9673367863533386
Energy: 1.0682717293510808
Energy: 0.9673367863538407
Energy: 0.9727898470060264
Energy: 0.9673663636637445
Energy: 1.1468871302230694
Energy: 0.9673663636637445
Energy: 1.0047708872353938
Energy: 1.080985879048716
Energy: 0.9520765877218149
Energy: 1.080985879049218
Energy: 1.0734162507496565
Energy: 0.966585326659216
Energy: 0.9824416073414165
Energy: 0.966585326659216
Energy: 1.0757996670536356
Energy: 1.0832173822352718
Energy: 1.1529731836739232
Energy: 1.083217382235774
Energy: 1.0151821618312813
Energy: 1.010435742809475
Energy: 1.1643381413382585
Energy: 1.010435742809977
Energy: 1.068939654259783
Energy: 0.9495210744903813
Energy: 1.0599379428383895
Energy: 0.9495210744898791
Energy: 1.066487002652258
Energy: 0.9464956207734897
Energy: 0.9497223763145579
Energy: 0.9464956207734897
Energy: 1.023007793205341
Energy: 0.9451345016946257
Energy: 0.9474405827100144
Energy: 0.9451345016946257
Energy: 0.9394233955650291
Energy: 0.9522162465277103
Energy: 0.9569337609417797
Energy: 0.9522162465277103
Energy: 1.148300046746008
Energy: 0.9473452586495584
Energy: 1.0724290827710072
Energy: 0.9473452586495584
Energy: 1.0732627431682211
Energy: 0.9687091322061093
Energy: 1.0755823362369934
Energy: 0.9687091322056073
Energy: 0.983874940941508
Energy: 1.0878140061875932
Energy: 1.069485932145821
Energy: 1.0878140061870911
Energy: 1.083580996201734
Energy: 0.9686229070293928
Energy: 0.9666028542449148
Energy: 0.9686229070338115
Energy: 0.9914739583189949
Energy: 0.9755339245362473
Energy: 0.9644564297059465
Energy: 0.9755339263719304
Energy: 0.9643788798359602
Energy: 0.964717450550814
Energy: 0.96771632427442
Energy: 0.964717450550814
Energy: 0.9728068468132154
Energy: 0.9666002695988641
Energy: 1.1642768837102802
Energy: 0.9666002695988641
Energy: 0.9669283722685187
Energy: 0.9938874117095686
Energy: 0.9407363007998991
Energy: 0.9938874117095686
Energy: 1.2798239292046698
Energy: 0.9692955333427165
Energy: 0.9674925775658617
Energy: 0.9692955333427165
Energy: 0.9811618269319372
Energy: 0.9663038710180691
Energy: 0.9671631661969992
Energy: 0.9663038710185713
Energy: 1.1530204640748445
Energy: 0.9676039995593823
Energy: 0.9837727499086152
Energy: 0.9676039995604869

minimum gb energy = 0.9394233955650291 eV
minimum distance =  2.51229555053878 Angstroms
sigma value = 89


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

Energy: 1.4056479786152887
Energy: 0.8886762535908974
Energy: 0.8973994441201208
Energy: 0.8886762536140208
Energy: 0.9086580616724957
Energy: 0.9675714552610588
Energy: 0.9080672833291223
Energy: 0.9675714552610588
Energy: 0.8807521853699984
Energy: 0.9673149406100507
Energy: 0.9100801683308716
Energy: 0.9673149406100507
Energy: 0.8800613020409512
Energy: 0.9690081214155517
Energy: 0.8915902379748403
Energy: 0.9690081214155517
Energy: 0.9088065963990014
Energy: 0.894369219897981
Energy: 0.9293784254797979
Energy: 0.894369219897981
Energy: 0.89144410931164
Energy: 0.8932973168832294
Energy: 0.9293946787942365
Energy: 0.8932973168832294
Energy: 0.8864600630413015
Energy: 0.8869661517302967
Energy: 0.9123373759157928
Energy: 0.8869661517302967
Energy: 0.8924643461187832
Energy: 0.8912733498193426
Energy: 0.8895666896527499
Energy: 0.8912733498178974
Energy: 0.8897096913242741
Energy: 0.8898166710765573
Energy: 0.8908219545185926
Energy: 0.8898166710765573
Energy: 0.9103365292479126
Energy: 0.9723949843831183
Energy: 0.909290216917982
Energy: 0.9723949843831183
Energy: 0.9126121448843976
Energy: 0.9708417099139602
Energy: 0.8773920586452424
Energy: 0.9708417099139602
Energy: 0.9293285607210293
Energy: 0.8913517431950514
Energy: 0.9098358524866204
Energy: 0.8913517431936061
Energy: 0.9297670440572235
Energy: 0.8893981706080867
Energy: 0.89221713726854
Energy: 0.8893981706080867
Energy: 0.9102469603262267
Energy: 0.8863365743680783
Energy: 0.8849449089221335
Energy: 0.8863365743680783
Energy: 0.8816021636860514
Energy: 0.8898137283976093
Energy: 0.892202702464775
Energy: 0.8898137283976093

minimum gb energy = 0.8773920586452424 eV
minimum distance =  2.53261458506422 Angstroms
sigma value = 13


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

Energy: 1.2650943462082265
Energy: 0.8772140863922077
Energy: 1.0309552189096889
Energy: 0.8772140864570219
Energy: 1.13440115864232
Energy: 0.8588923285484314
Energy: 0.9618496674835868
Energy: 0.8588923285490372
Energy: 0.8678363450475416
Energy: 0.8561757257311281
Energy: 0.957857843551408
Energy: 0.856175725731734
Energy: 1.0444655737588344
Energy: 0.871970865270344
Energy: 0.9589056031363095
Energy: 0.871970865270344
Energy: 0.9577344344216194
Energy: 0.8591109581377233
Energy: 0.9733114258274621
Energy: 0.8591109581383289
Energy: 0.9594620085900989
Energy: 0.8577330809864765
Energy: 0.9685562302778156
Energy: 0.8577330809864765
Energy: 0.954421619355422
Energy: 0.8562293522963835
Energy: 0.9678888178459975
Energy: 0.8562293522963835
Energy: 0.8911244409142304
Energy: 0.871964536632228
Energy: 0.9607438638584553
Energy: 0.8719645366328337
Energy: 0.8633151887934546
Energy: 0.8593595485613444
Energy: 0.9707339837243883
Energy: 0.8593595485613444
Energy: 0.862029034135346
Energy: 0.8583409661329036
Energy: 0.9727413439555858
Energy: 0.8583409661335092
Energy: 0.8794062042488311
Energy: 0.86437397730165
Energy: 1.2676345705808647
Energy: 0.8643739772919581
Energy: 0.9717570740085728
Energy: 0.8560025544402879
Energy: 0.9739625591998273
Energy: 0.8560025544396822
Energy: 0.9735318696039819
Energy: 0.902096006224073
Energy: 0.9684227459231919
Energy: 0.9020960062234672
Energy: 0.9876510452519925
Energy: 1.0010687768152509
Energy: 1.0472118207447836
Energy: 1.0010687768164623
Energy: 0.9648159453948411
Energy: 0.8626748578256527
Energy: 0.9852441828078491
Energy: 0.8626748578256527
Energy: 0.9650290265963267
Energy: 0.8592980351642908
Energy: 0.861459074291682
Energy: 0.8592980351642908
Energy: 1.136198779137289
Energy: 0.8578548858630702
Energy: 0.8599669087343054
Energy: 0.8578548858630702
Energy: 1.254151183826593
Energy: 0.8609924391135058
Energy: 0.8802973933674882
Energy: 0.8609924391129
Energy: 1.050892684304451
Energy: 0.8592454997787149
Energy: 0.9707122443668749
Energy: 0.8592454997787149
Energy: 0.9768227556910067
Energy: 0.8555343107524285
Energy: 0.9554347549204261
Energy: 0.8555343107530342
Energy: 1.0458444744802893
Energy: 0.8629961530898694
Energy: 0.978717649631628
Energy: 0.8629961530898694
Energy: 0.9706762277039007
Energy: 0.9156486649034505
Energy: 0.9950078538938819
Energy: 0.9156486649034505
Energy: 0.9645224150810464
Energy: 0.8595723361935622
Energy: 0.9729198141101675
Energy: 0.8595723361935622
Energy: 0.862323207995231
Energy: 0.8565773169660414
Energy: 0.9876137082138933
Energy: 0.8565773169636185
Energy: 0.982558384879225
Energy: 0.8716002540211966
Energy: 0.9595679530821603
Energy: 0.8716002540218023
Energy: 0.8716464420516946
Energy: 0.8603056493939996
Energy: 0.9549622146867142
Energy: 0.8603056493939996
Energy: 0.8568845295689318
Energy: 0.8564161724289436
Energy: 0.9696353380311318
Energy: 0.8564161724289436
Energy: 0.8711386159447344
Energy: 0.861883297204191
Energy: 0.8782535424237403
Energy: 0.861883297204191
Energy: 0.9682383019047316
Energy: 0.858633518803896
Energy: 1.05962050742676
Energy: 0.858633518803896
Energy: 0.9533101461783345
Energy: 0.9055705011901767
Energy: 0.9904255213775204
Energy: 0.9055705011907824
Energy: 0.9890407816948771
Energy: 0.9094017424077218
Energy: 1.0484215181970824
Energy: 0.9094017424077218
Energy: 0.9652196054582382
Energy: 0.8604300956668943
Energy: 0.9666705425588522
Energy: 0.8604300956662885
Energy: 0.9647545471671373
Energy: 0.8618632723933914
Energy: 0.8657303305728289
Energy: 0.8618632723933914
Energy: 1.1384491275536905
Energy: 0.856558531183402
Energy: 0.8565653968093649
Energy: 0.856558531183402
Energy: 1.0433628532308539
Energy: 0.8628616552560247
Energy: 0.8594059470007213
Energy: 0.8628616552560247

minimum gb energy = 0.8555343107524285 eV
minimum distance =  2.51684261262199 Angstroms
sigma value = 37


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

Energy: 1.1057332730609628
Energy: 0.7911495748533967
Energy: 0.7909808067504747
Energy: 0.7911495748544388
Energy: 0.9528630236460202
Energy: 0.7879997189635618
Energy: 0.9552587339055921
Energy: 0.7879997189635618
Energy: 1.1034670685603059
Energy: 0.8752485358318438
Energy: 0.9535839634799812
Energy: 0.8752485358318438
Energy: 1.109108960853335
Energy: 0.7895505513815866
Energy: 0.9504559828138783
Energy: 0.7895505513815866
Energy: 0.8012054409844108
Energy: 0.8787651836123574
Energy: 0.9431367092106174
Energy: 0.8787651836133996
Energy: 0.9568815521751068
Energy: 0.7895517894075966
Energy: 0.9509608574675447
Energy: 0.7895517894086388
Energy: 0.7872486836176225
Energy: 0.7872548866064151
Energy: 0.9525127752826401
Energy: 0.7872548866064151
Energy: 0.7983265204664022
Energy: 0.7893182967801171
Energy: 0.9495769688018743
Energy: 0.7893182967801171
Energy: 0.7888601668716645
Energy: 0.791207913038537
Energy: 0.8134818252952697
Energy: 0.791207913038537
Energy: 0.799617981315254
Energy: 0.7894261957266457
Energy: 0.9538782628955703
Energy: 0.7894261957266457
Energy: 0.7909808066536015
Energy: 0.7911495749679864
Energy: 1.1057332730609628
Energy: 0.7911495749617335
Energy: 0.9552587339055921
Energy: 0.7879997189635618
Energy: 0.884840379102253
Energy: 0.7879997189635618
Energy: 0.9535839634799812
Energy: 0.8752485358318438
Energy: 1.1034670685603059
Energy: 0.8752485358318438
Energy: 0.9504559828149205
Energy: 0.7895505513805446
Energy: 1.109108960853335
Energy: 0.7895505513815866
Energy: 0.9431367092106174
Energy: 0.8787651836133996
Energy: 0.801205440985453
Energy: 0.8787651836123574
Energy: 0.8914331338469799
Energy: 0.7895517894075966
Energy: 0.9568815521751068
Energy: 0.7895517894075966
Energy: 0.952512775281598
Energy: 0.7872548866064151
Energy: 0.7872486836176225
Energy: 0.7872548866064151
Energy: 0.9495769687977056
Energy: 0.7893182967801171
Energy: 0.7983265204664022
Energy: 0.7893182967801171
Energy: 0.8134818611118211
Energy: 0.791207913038537
Energy: 0.7888601668716645
Energy: 0.7912079130374947
Energy: 0.953878262893486
Energy: 0.7894261957266457
Energy: 0.799617981315254
Energy: 0.7894261957266457

minimum gb energy = 0.7872486836176225 eV
minimum distance =  2.53763086991728 Angstroms
sigma value = 25


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

Energy: 1.250266469561901
Energy: 0.7188946024570434
Energy: 0.720414718892665
Energy: 0.7188946024594848
Energy: 0.9964994136313947
Energy: 0.7121816362972166
Energy: 0.8462279926166902
Energy: 0.7121816362972166
Energy: 0.9604732164264973
Energy: 0.7114664150066325
Energy: 0.8374595144314663
Energy: 0.7114664150066325
Energy: 0.9485426332351644
Energy: 0.7121818552203396
Energy: 0.8367996595695594
Energy: 0.7121818552203396
Energy: 0.997602418259618
Energy: 0.7849857416434529
Energy: 1.0035765648897086
Energy: 0.7849857416434529
Energy: 0.9625339024219206
Energy: 0.7810648997506198
Energy: 1.0067042567533078
Energy: 0.781064899749806
Energy: 0.9574724636258038
Energy: 0.7823838442095429
Energy: 0.9922317952773988
Energy: 0.7823838442103566
Energy: 0.8363283206995714
Energy: 0.7174139615872138
Energy: 0.996914611603989
Energy: 0.7174139615872138
Energy: 0.8379217565281719
Energy: 0.7116330252025295
Energy: 0.9965558778568933
Energy: 0.7116330252025295
Energy: 0.8416383692949184
Energy: 0.7126097986267969
Energy: 1.001537928039609
Energy: 0.7126097986259831
Energy: 0.7211476887506462
Energy: 0.715206492957864
Energy: 1.0977254426309815
Energy: 0.7152064929570502
Energy: 0.7158442840335958
Energy: 0.7126286761589669
Energy: 0.9983981358793107
Energy: 0.7126286761589669
Energy: 0.713326532367948
Energy: 0.714785094952276
Energy: 0.9819378831437661
Energy: 0.7147850949530898
Energy: 0.7270602232450188
Energy: 0.71859884771338
Energy: 0.951647271936605
Energy: 0.71859884771338
Energy: 0.8381132669421446
Energy: 0.7108716556440208
Energy: 0.9950265780856691
Energy: 0.7108716556432069
Energy: 0.8472121725974845
Energy: 0.7133335769359878
Energy: 0.961021855367218
Energy: 0.7133335769368015
Energy: 0.9973700944279924
Energy: 0.7134193817236468
Energy: 0.9598054720891226
Energy: 0.7134193817236468
Energy: 0.8294036059496603
Energy: 0.7866633740371548
Energy: 0.9956993586067088
Energy: 0.7866633740379686
Energy: 1.0019725342276113
Energy: 0.7821592942012308
Energy: 0.9592191545509408
Energy: 0.7821592942020444
Energy: 0.992267647963177
Energy: 0.7834773971081198
Energy: 0.961361276414442
Energy: 0.7834773971081198
Energy: 1.1008887266219425
Energy: 0.7154557395893348
Energy: 0.8434373428417732
Energy: 0.715455739588521
Energy: 0.9948011356210638
Energy: 0.7114771047563484
Energy: 0.7111307341119752
Energy: 0.7114771047563484
Energy: 0.9892818286603099
Energy: 0.714475372243017
Energy: 0.849193221908956
Energy: 0.7144753722438308
Energy: 0.9929606281206457
Energy: 0.7244989284188046
Energy: 0.7143545272457252
Energy: 0.7244989284188046
Energy: 0.9958166315004817
Energy: 0.7111899023988434
Energy: 0.7108362558674738
Energy: 0.7111899023988434
Energy: 0.9538608054059805
Energy: 0.7131881257229665
Energy: 0.7189777115200685
Energy: 0.7131881257229665

minimum gb energy = 0.7108362558674738 eV
minimum distance =  2.53723676876382 Angstroms
sigma value = 41


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

Energy: 1.3377437345385819
Energy: 0.6619391504128985
Energy: 0.6633001535147571
Energy: 0.661939150126803
Energy: 1.0748158403254626
Energy: 0.6538580609613295
Energy: 0.7610243505349412
Energy: 0.6538580609613295
Energy: 1.0562110969765257
Energy: 0.6527046053761896
Energy: 0.7581767103808988
Energy: 0.6527046053761896
Energy: 1.0729105115001718
Energy: 0.6570505004478315
Energy: 0.885440703549943
Energy: 0.6570505004484987
Energy: 1.071096978812633
Energy: 0.6510125037382295
Energy: 0.9596069965914985
Energy: 0.651012503736228
Energy: 1.0577856688278144
Energy: 0.6531126319472869
Energy: 0.9628315670955123
Energy: 0.653112631947954
Energy: 1.0652071752682695
Energy: 0.715582106513449
Energy: 1.0717727737127856
Energy: 0.7155821065121145
Energy: 0.976315959474399
Energy: 0.7132496106985814
Energy: 0.9588567205850644
Energy: 0.7132496106992485
Energy: 0.8515186890144315
Energy: 0.7112669722996527
Energy: 1.0765279027994359
Energy: 0.7112669722769689
Energy: 0.853561798883744
Energy: 0.651499645810801
Energy: 1.0751968668261178
Energy: 0.6514996458101339
Energy: 0.7631878793885545
Energy: 0.6593967175601109
Energy: 1.2075158761692693
Energy: 0.6593967175601109
Energy: 0.7486165786927996
Energy: 0.651760395433168
Energy: 1.068556590089196
Energy: 0.6517603954338353
Energy: 0.7633930456832707
Energy: 0.6558573252000816
Energy: 1.0678461788055633
Energy: 0.6558573252000816
Energy: 0.6579014217320246
Energy: 0.6634200609649761
Energy: 1.0700313788064921
Energy: 0.6634200609649761
Energy: 0.6525567947704883
Energy: 0.6538447739190014
Energy: 1.0730354417013324
Energy: 0.6538447739190014
Energy: 0.6610297091039685
Energy: 0.6578635385289984
Energy: 1.053553225051181
Energy: 0.6578635385296655
Energy: 0.7670512956497275
Energy: 0.6580605881454837
Energy: 1.0537055433094644
Energy: 0.6580605881454837
Energy: 0.749927759981471
Energy: 0.7476064986029135
Energy: 1.0718155795601496
Energy: 0.7476064986029135
Energy: 0.7572825963231613
Energy: 0.6567180834575571
Energy: 1.059137726223746
Energy: 0.6567180834582242
Energy: 0.9654898255017302
Energy: 0.6542373359404768
Energy: 1.0554795536429742
Energy: 0.6542373359404768
Energy: 0.9617112756364459
Energy: 0.7182378577527495
Energy: 1.0684753412503314
Energy: 0.7182378577380717
Energy: 0.9667743562923731
Energy: 0.6620299672359531
Energy: 1.0641089087696012
Energy: 0.6620299672352858
Energy: 1.0744953808372437
Energy: 0.709928444588324
Energy: 1.0566420751364212
Energy: 0.7099284445876568
Energy: 0.9585487474083193
Energy: 0.6573204036094711
Energy: 0.9690480918663706
Energy: 0.6573204036048009
Energy: 1.0724602981287361
Energy: 0.7210854280941804
Energy: 0.8439185468755607
Energy: 0.721085428092179
Energy: 1.075308277195355
Energy: 0.6538222404822329
Energy: 0.963108802262942
Energy: 0.6538222404829002
Energy: 1.072465672653032
Energy: 0.657844825806328
Energy: 0.7702035640218046
Energy: 0.6578448258069951
Energy: 1.0718400800528207
Energy: 0.7492346863184294
Energy: 0.7463628480747407
Energy: 0.7492346863184294
Energy: 1.0694116016091049
Energy: 0.6603372407156959
Energy: 0.7502804146273927
Energy: 0.6603372407156959
Energy: 1.0722629738467948
Energy: 0.6581154360874449
Energy: 0.6559855480943376
Energy: 0.6581154360874449
Energy: 1.07313215988606
Energy: 0.6536562355847463
Energy: 0.6521705187009144
Energy: 0.6536562355847463
Energy: 1.0730694323184515
Energy: 0.6601388325738169
Energy: 0.6567707032556628
Energy: 0.6601388325738169

minimum gb energy = 0.651012503736228 eV
minimum distance =  2.53825904296924 Angstroms
sigma value = 15


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

Energy: 1.1658053881322799
Energy: 0.6154426693563659
Energy: 0.8571166497853896
Energy: 0.6154426106446633
Energy: 1.1149013675355184
Energy: 0.607051669283828
Energy: 0.698432857435979
Energy: 0.6070516692849584
Energy: 1.1275617448830109
Energy: 0.6080010057300027
Energy: 0.6955896157098521
Energy: 0.6080010057300027
Energy: 1.121480972188494
Energy: 0.6109154759751525
Energy: 0.8883403346819946
Energy: 0.6109154759762829
Energy: 1.1131752220386515
Energy: 0.6061822334626966
Energy: 0.8659219741601114
Energy: 0.6061822334604358
Energy: 1.1086892986361172
Energy: 0.6051696562570235
Energy: 0.8714922825243019
Energy: 0.6051696562564584
Energy: 0.9540069213612158
Energy: 0.6125108447123164
Energy: 1.0382548253851047
Energy: 0.6125108446851874
Energy: 1.0471575638217128
Energy: 0.6600044858664708
Energy: 0.8605562110385613
Energy: 0.6600044858664708
Energy: 0.9566883310237131
Energy: 0.6556074659293161
Energy: 1.033582838682488
Energy: 0.6556074659310116
Energy: 0.9563222943411748
Energy: 0.7698832634203734
Energy: 1.1145998844708858
Energy: 0.7698832634198083
Energy: 0.8859349364661436
Energy: 0.6107445372514629
Energy: 1.0629102414132414
Energy: 0.6107445372542888
Energy: 0.7694117897100987
Energy: 0.6046658440522498
Energy: 1.113911890624725
Energy: 0.604665844049989
Energy: 0.8675163538724863
Energy: 0.6075315389810733
Energy: 1.1163007950871846
Energy: 0.6075315389810733
Energy: 0.7070361235362316
Energy: 0.6149267204498993
Energy: 1.0365832912958286
Energy: 0.6149267204498993
Energy: 0.6850107865254387
Energy: 0.6069098847375469
Energy: 1.1138268856657698
Energy: 0.6069098847375469
Energy: 0.7041805598449405
Energy: 0.611086452436134
Energy: 1.1168066682026232
Energy: 0.611086452436134
Energy: 0.6234379821304507
Energy: 0.6134125277159012
Energy: 1.1145328137320927
Energy: 0.6134125277153359
Energy: 0.6069196057409566
Energy: 0.6065151432427187
Energy: 1.1133581079788084
Energy: 0.6065151432427187
Energy: 0.6238590128115782
Energy: 0.6119351396702061
Energy: 1.1100160066748364
Energy: 0.6119351396702061
Energy: 0.7007025325802063
Energy: 0.6117797854840321
Energy: 0.9930554688568416
Energy: 0.6117797854840321
Energy: 0.6851038481042013
Energy: 0.6060532036917037
Energy: 1.1135965540778971
Energy: 0.6060532036917037
Energy: 0.7044805598811621
Energy: 0.6109332914588217
Energy: 1.1158489304409303
Energy: 0.6109332914186932
Energy: 0.8756648867209421
Energy: 0.6078966903337423
Energy: 1.1041172367711056
Energy: 0.6078966903354378
Energy: 0.8627682796321198
Energy: 0.6042531119555219
Energy: 1.1129406321925808
Energy: 0.6042531119583479
Energy: 0.8862648227471063
Energy: 0.6089810219556603
Energy: 0.9558424019041262
Energy: 0.6089810218302397
Energy: 1.0351243026702555
Energy: 0.7696637680457121
Energy: 1.1159851922342165
Energy: 0.7696637680457121
Energy: 0.8648132916779013
Energy: 0.6561295850638504
Energy: 1.0347558967058157
Energy: 0.6561295850644155
Energy: 1.0453477921779188
Energy: 0.6603545284508189
Energy: 0.9571936086477236
Energy: 0.6603545286214545
Energy: 1.0355017517196037
Energy: 0.6075672772509308
Energy: 1.0344685629575987
Energy: 0.6075672772882332
Energy: 1.0338478879699855
Energy: 0.6049135906760661
Energy: 0.8675984486074562
Energy: 0.6049135906952824
Energy: 1.1114268812241221
Energy: 0.6856432977487005
Energy: 0.7688690512559027
Energy: 0.6856432977487005
Energy: 1.0358859040836481
Energy: 0.6137160015338076
Energy: 0.8844389900464422
Energy: 0.6137160015332422
Energy: 1.1152416553869693
Energy: 0.6079271722381324
Energy: 0.6924020394653744
Energy: 0.6079271722381324
Energy: 1.1139141458925936
Energy: 0.6068785510289983
Energy: 0.6901304116921139
Energy: 0.6068785510289983
Energy: 1.1142982416470775
Energy: 0.6150831220782046
Energy: 0.6223783618495374
Energy: 0.6150831220782046
Energy: 1.1139431249314247
Energy: 0.6084432326898873
Energy: 0.6118142897246666
Energy: 0.6084432326898873
Energy: 1.1231695240202548
Energy: 0.6087560399903719
Energy: 0.6156646231674436
Energy: 0.608756039990937

minimum gb energy = 0.6042531119555219 eV
minimum distance =  2.53579146740387 Angstroms
sigma value = 85


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

Energy: 1.213634476425382
Energy: 0.5483837217914793
Energy: 0.5509794840704005
Energy: 0.5483837196846015
Energy: 1.135480585504492
Energy: 0.5494485977581535
Energy: 0.6175795084024495
Energy: 0.5494485977581535
Energy: 1.1200631240009407
Energy: 0.5494298248587324
Energy: 0.6261449618441449
Energy: 0.5494298248592225
Energy: 0.9897528232400183
Energy: 0.5524040638774128
Energy: 0.7844859933132539
Energy: 0.5524040638769226
Energy: 1.1331898397104303
Energy: 0.5476666392541413
Energy: 0.7748134944521465
Energy: 0.5476666392546314
Energy: 0.9931191755944961
Energy: 0.5487808568077145
Energy: 0.7843338934922518
Energy: 0.5487808568082048
Energy: 1.0002566186251567
Energy: 0.5491467495269444
Energy: 0.9389489051467829
Energy: 0.549146749525964
Energy: 1.0628843352805775
Energy: 0.5486810003229817
Energy: 0.7661258165879076
Energy: 0.5486810003229817
Energy: 1.0000364659012837
Energy: 0.5493963223287964
Energy: 0.9331672171431764
Energy: 0.5493963234890297
Energy: 0.9976045778677284
Energy: 0.631669926512638
Energy: 1.0599767194693308
Energy: 0.6316699265121478
Energy: 0.9312548957883603
Energy: 0.5479747810858111
Energy: 0.9382020563214866
Energy: 0.5479747810863014
Energy: 0.8533741694353624
Energy: 0.5480874833628441
Energy: 1.0618511814092084
Energy: 0.5480874833633342
Energy: 0.9303439057477829
Energy: 0.5489203993557171
Energy: 1.0578617983555405
Energy: 0.5489203993562074
Energy: 0.7847125293802226
Energy: 0.5495948668783014
Energy: 0.9256003406005558
Energy: 0.5495948668817326
Energy: 0.6841912211752655
Energy: 0.5476289158641202
Energy: 1.1310689248072552
Energy: 0.5476289158655908
Energy: 0.776275460472318
Energy: 0.550670604332245
Energy: 1.0590134015813715
Energy: 0.5506706043327352
Energy: 0.6260369454895631
Energy: 0.5496688552383098
Energy: 1.0558747199463823
Energy: 0.5496688552388
Energy: 0.6171976969671698
Energy: 0.5478240970729187
Energy: 1.1284824430577176
Energy: 0.547824097073409
Energy: 0.6256903349549843
Energy: 0.553382862030492
Energy: 1.1234761807224778
Energy: 0.553382862030492
Energy: 0.5496003619730826
Energy: 0.5518201025995252
Energy: 1.1230197600920104
Energy: 0.5518201025995252
Energy: 0.5486606592793544
Energy: 0.5485413346255493
Energy: 1.1276794298246837
Energy: 0.5485413346255493
Energy: 0.5558566957742489
Energy: 0.5502648102406023
Energy: 1.1158500711233543
Energy: 0.5502648102406023
Energy: 0.6206793871959938
Energy: 0.5529479259015747
Energy: 1.1251336136846914
Energy: 0.5529479259020649
Energy: 0.6200818306358823
Energy: 0.5481009536023046
Energy: 1.1288322152675634
Energy: 0.5481009536023046
Energy: 0.6252599086708206
Energy: 0.5503171217362979
Energy: 1.0217458616366553
Energy: 0.5503171217362979
Energy: 0.7818570135953142
Energy: 0.5481531069567266
Energy: 1.1282110644697443
Energy: 0.5481531069562363
Energy: 0.776996740009069
Energy: 0.5479059388961598
Energy: 1.121167162798435
Energy: 0.5479059388951795
Energy: 0.8878582873537905
Energy: 0.5487674120046169
Energy: 0.9938440264982221
Energy: 0.5487674120041267
Energy: 0.930392539486999
Energy: 0.549967869016842
Energy: 1.1290507281050106
Energy: 0.5499678690173322
Energy: 0.9297042681738433
Energy: 0.5490458312086335
Energy: 0.9953987990041047
Energy: 0.5490458310699992
Energy: 1.0163168867299504
Energy: 0.6330726040473167
Energy: 0.8483635848242149
Energy: 0.6330726040468265
Energy: 0.9296513154651799
Energy: 0.6311408563988208
Energy: 1.0139672075969692
Energy: 0.6311408564346046
Energy: 1.0615714740008613
Energy: 0.5485576096205101
Energy: 0.8574042600705354
Energy: 0.5485576096317845
Energy: 1.1345652109891482
Energy: 0.5488749091295004
Energy: 0.8557714707774193
Energy: 0.5488749091348927
Energy: 0.9350608574463463
Energy: 0.5494898263429946
Energy: 0.7858016458154606
Energy: 0.5494898263429946
Energy: 1.1328167045862787
Energy: 0.5480982613315443
Energy: 0.7759157693305537
Energy: 0.5480982613315443
Energy: 1.1269115154156641
Energy: 0.5483276082938556
Energy: 0.7827607881553693
Energy: 0.5483276082967969
Energy: 1.0552134763883738
Energy: 0.5550866807590685
Energy: 0.6192263195969785
Energy: 0.5550866807590685
Energy: 1.1282863401732222
Energy: 0.5477774539161853
Energy: 0.6193155893734273
Energy: 0.5477774539161853
Energy: 1.1234087001408055
Energy: 0.5554418147493012
Energy: 0.6210487149769821
Energy: 0.5554418147493012
Energy: 1.0528615343712961
Energy: 0.5497275385216931
Energy: 0.5529471580435932
Energy: 0.5497275385221833
Energy: 1.1285636756350998
Energy: 0.5483226816498287
Energy: 0.5479374656632802
Energy: 0.5483226816498287
Energy: 1.1156867735157487
Energy: 0.5498544305908301
Energy: 0.5493217299999051
Energy: 0.5498544305913202

minimum gb energy = 0.5476289158641202 eV
minimum distance =  2.54540018877469 Angstroms
sigma value = 113


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

Energy: 0.021689650810874178
Energy: 0.4283755744468173
Energy: 0.8872632338523135
Energy: 0.4283755744468173
Energy: 0.5798659295432393
Energy: 0.12463590360472106
Energy: 0.5813508482514925
Energy: 0.12463590360472106
Energy: 0.022651626269402692
Energy: 0.1242958704175109
Energy: 0.5785795385620519
Energy: 0.12429587041713407
Energy: 0.02389611969616851
Energy: 0.1272213629151595
Energy: 0.5818434687565982
Energy: 0.1272213629151595
Energy: 0.5831483144624133
Energy: 0.12683680060916264
Energy: 0.5833912288199148
Energy: 0.12683680060916264
Energy: 0.02235335499048593
Energy: 0.12390097121762822
Energy: 0.5782966596259214
Energy: 0.12390097121762822

minimum gb energy = 0.021689650810874178 eV
minimum distance =  2.74000689684777 Angstroms
sigma value = 1