Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.878740459680557
cohesive_energy=3.900576668706534
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.1666153029872959e-19, 1.8396512546914799e-19, 2.40457873583988e-19, 2.89090343132424e-19, 3.31797963488328e-19, 3.69671816939454e-19, 4.0345210909070993e-19, 4.3367717129111996e-19, 4.60765171642158e-19, 4.850942238294479e-19, 5.07015204535836e-19, 5.2660341606311995e-19, 5.43950182479438e-19, 5.5925577586404e-19, 5.72680413880326e-19, 5.84350668482382e-19, 5.94369078974784e-19, 6.02828571602304e-19, 6.098108573732759e-19, 6.153880342362299e-19, 6.19627393609794e-19, 6.22586613852792e-19, 6.243249755006819e-19, 6.24892146029118e-19, 6.2428011455493e-19, 6.22295017705404e-19, 6.186773028658319e-19, 6.130953194729759e-19, 6.05148523368336e-19, 5.94380294211222e-19, 5.80237881062904e-19, 5.620499719137359e-19, 5.38983434914038e-19, 5.100176835479519e-19, 4.73882191744716e-19, 4.2899080463667e-19, 3.7337765149389597e-19, 3.04568971593498e-19, 2.1919538747417396e-19, 1.129290996121632e-19, -1.9763970304033798e-20, -1.8625463587913397e-19, -3.9650026467578396e-19, -6.64151882268654e-19, -1.0084388126190119e-18, -1.4565660149721779e-18, -2.0477419559154e-18, -2.8424696316784195e-18, -3.93334363647e-18, -5.46946252785018e-18, -7.70163103610532e-18, -1.10768884856541e-17, -1.64389731354936e-17, -2.5484702193394197e-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: -2.94648931732711e-25 eV

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

Energy: 0.016003341522108052
Energy: 0.017128595235271462
Energy: 0.4346966477992341
Energy: 0.6009962708028377
Energy: 0.6020638333926945
Energy: 0.2434091104155515
Energy: 0.017619355705199388
Energy: 0.016813853729816863
Energy: 0.7048370175120705
Energy: 0.1834252292811319
Energy: 0.4149512138303338
Energy: 0.41412804199250614
Energy: 0.016909902045286716
Energy: 0.09165718388325071
Energy: 0.016284329775817744
Energy: 0.6036710181558613
Energy: 0.5687672968581026
Energy: 0.5629764569613859
Energy: 0.49113503537776976
Energy: 0.09028291798816063
Energy: 0.09163325310330486
Energy: 0.01847796553567865
Energy: 0.41440774614899384
Energy: 0.5710956661863698
Energy: 0.6012954421052583
Energy: 0.6026734086278235
Energy: 0.09076478611877864
Energy: 0.01692148105392695
Energy: 0.09140464775525428
Energy: 0.7153771240889106
Energy: 0.18345336447298388
Energy: 0.4169033529394026
Energy: 0.41412108460638053
Energy: 0.01692604493903436
Energy: 0.09127677102188174
Energy: 0.016335146693285705
Energy: 0.4148407201212869
Energy: 0.5693394590995235
Energy: 0.5627484090853213
Energy: 0.4908783369982996
Energy: 0.09011565265498737
Energy: 0.09126367431196195

minimum gb energy = 0.016003341522108052 eV
minimum distance =  2.71819165304949 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.9417562198713197
Energy: 1.0864627058192338
Energy: 0.9524755157202199
Energy: 1.0165378941653955
Energy: 1.0103928384905854
Energy: 1.0056784773347391
Energy: 1.0530011965378194
Energy: 0.8628763848871244
Energy: 0.9308578462800698
Energy: 0.8925580910652718
Energy: 0.9569831240495887
Energy: 0.9045534509123565
Energy: 0.8946031516021079
Energy: 0.9335982866618008
Energy: 0.9724397937672775
Energy: 0.9350119954983641
Energy: 0.9492905134031195
Energy: 0.8973318868309084
Energy: 0.9103255056556859
Energy: 0.9487181262751122
Energy: 0.9847304716550922
Energy: 0.8454093003368051
Energy: 0.9712125756479947
Energy: 0.8647571953128721
Energy: 0.9573986823953493
Energy: 0.9667743455407902
Energy: 0.854834099372995
Energy: 0.947045476178154
Energy: 0.9552550461608864
Energy: 0.9198681243222523
Energy: 0.9004329100283694
Energy: 0.9319795806298754
Energy: 0.9430067536624556
Energy: 0.8947685139260854
Energy: 0.9007810555217095
Energy: 0.8992250831040227
Energy: 0.9340782656458784
Energy: 0.8642527925120504
Energy: 0.9061537390156029
Energy: 0.906838183441875
Energy: 0.9015105526199133
Energy: 0.9449033919270147
Energy: 0.9147049042090228
Energy: 0.9507626976763323
Energy: 0.9311615238737307
Energy: 0.9397998998259528
Energy: 0.9422718734216815
Energy: 0.9464088727360268
Energy: 0.9171060427157702
Energy: 0.8917704850710528
Energy: 0.953604098345356
Energy: 0.9274217996474743
Energy: 0.9553749561929225
Energy: 0.9307690396959353
Energy: 0.9185730491001478
Energy: 0.9817705679437507
Energy: 0.8868868942619246
Energy: 0.9837429645917989
Energy: 0.9310569068974748
Energy: 0.9474739491758393
Energy: 0.9630176685358126
Energy: 0.8702207321223334
Energy: 0.9730550393902202
Energy: 0.8545004959324177
Energy: 0.9911551445599107
Energy: 0.9410269591046905
Energy: 0.9930243968249223
Energy: 0.9193591241904294
Energy: 0.929901633382846
Energy: 0.9687663626761818
Energy: 0.8682637435495193
Energy: 0.9360934866666185
Energy: 0.9441693261070738
Energy: 1.0090991335634218
Energy: 0.9729409638241378
Energy: 0.8851811909310217
Energy: 0.9408694552183765
Energy: 0.9767446319451013
Energy: 0.8998370242728209
Energy: 0.9145344690713159
Energy: 0.9822954274442884
Energy: 0.898669524558352
Energy: 0.932540464285796
Energy: 0.8907560897380704
Energy: 0.8838647031877018
Energy: 0.950910550450743
Energy: 0.9033478067678016
Energy: 0.9552236995388558
Energy: 0.9626411420519375
Energy: 0.872177439119866
Energy: 0.932451146202735
Energy: 0.935025821904665
Energy: 0.9659646435147698
Energy: 0.9723486791023126
Energy: 0.9703785608947498
Energy: 0.9360607901231117
Energy: 0.966451635680247
Energy: 0.9939423234212624
Energy: 0.8663754187810673
Energy: 0.9447399253256301
Energy: 0.9370753549440588
Energy: 0.9534415994234346
Energy: 0.9702574156864479
Energy: 0.8837508169157227
Energy: 0.9380113813794487
Energy: 0.9362715447268641
Energy: 0.9337410935259016
Energy: 0.9385558251897357
Energy: 0.9412063247420897
Energy: 0.930640066131268
Energy: 0.9258454014460795
Energy: 0.9490693927123833
Energy: 0.8951893169592678
Energy: 1.0181367972919062
Energy: 0.9283227187099722
Energy: 0.9206788739425594
Energy: 0.9039949010852123
Energy: 0.9340394868266267
Energy: 1.0294560829999264
Energy: 1.0276142163832653
Energy: 0.9640465512408308
Energy: 0.8963683778141447
Energy: 0.9166026292978863
Energy: 0.9372279121746614
Energy: 0.9777731946977911
Energy: 0.921319215742142
Energy: 0.9020112457116727
Energy: 0.9344258074229284
Energy: 0.8595574313155245
Energy: 0.8982641781793274
Energy: 0.9137208691729668
Energy: 0.890709146559916
Energy: 0.8952260017940655
Energy: 0.954829095647935
Energy: 0.9009525292215026
Energy: 0.924015291708814
Energy: 0.9357434939867606
Energy: 0.91963746683643
Energy: 0.9316416506999295
Energy: 0.9605423706206239
Energy: 0.8414740693720563
Energy: 0.9421822393045837
Energy: 0.8625221767500282
Energy: 0.967718128830472
Energy: 0.9431819095949125
Energy: 0.9103873379645675
Energy: 0.9149748851117215
Energy: 0.9852275492651429
Energy: 0.9269333195378239
Energy: 0.9299737557115053
Energy: 0.9217711357857783
Energy: 0.9525263289391462
Energy: 0.9315666104724433
Energy: 0.8620907695944241
Energy: 0.8780468399158932
Energy: 0.90706249438008
Energy: 0.9182734342502481
Energy: 1.0064877854556078
Energy: 0.9251783525110036
Energy: 0.8732841714659985
Energy: 0.9396226177452919
Energy: 0.9372744674077322
Energy: 0.9578439766720571
Energy: 0.9289006786692791
Energy: 0.9764778026400306
Energy: 1.0401952404933528
Energy: 0.9155095639813419
Energy: 0.9167855687589314
Energy: 0.8600949104439666
Energy: 0.9605231354484406
Energy: 0.8567339219465487
Energy: 0.9346005508662335
Energy: 0.9191112362487036
Energy: 0.8657893109759517
Energy: 0.9420758827527838
Energy: 0.918849990839103
Energy: 0.9895762602836883
Energy: 0.9136952487980115
Energy: 0.906376923911032
Energy: 0.9457804349389485
Energy: 0.9036932385504769
Energy: 0.936809274030149
Energy: 0.8434247111396281
Energy: 0.9109004095805734
Energy: 0.9249801541451165
Energy: 0.958274559821117
Energy: 0.9689481879235267
Energy: 0.9386326349084653
Energy: 0.9375993166727117
Energy: 0.9129354805127513
Energy: 0.918140922159893
Energy: 0.9109427140046331
Energy: 0.9299182864573932
Energy: 0.9377607174785801
Energy: 0.8977149207708081
Energy: 0.9263174667585943
Energy: 0.8980185859734772
Energy: 0.9371555255121027
Energy: 0.8680090019264367
Energy: 0.9062160126278215
Energy: 0.9154451165867022
Energy: 0.9010303260667138
Energy: 0.9487340347470355
Energy: 0.8818840983631858
Energy: 0.9615093656148952
Energy: 0.9320942243796109
Energy: 0.9278537851858552
Energy: 0.9654494245752346
Energy: 0.9467736369823044
Energy: 0.928645571690697
Energy: 0.9190274148748104
Energy: 0.928547534298366
Energy: 0.9292486861536414
Energy: 0.9479547361981336
Energy: 0.9160505201457158
Energy: 0.9189475383924084
Energy: 0.9854261416487871
Energy: 0.889161111161228
Energy: 1.0067156020872199
Energy: 0.9037996066305402
Energy: 0.8847346330714354
Energy: 0.9500829214440226
Energy: 0.9084971832124786
Energy: 0.9780689872815187
Energy: 0.8550416923084948
Energy: 0.9745611265682956
Energy: 0.9375995965317147
Energy: 0.9940771758636341
Energy: 0.9081483471434444
Energy: 0.9453945495716198
Energy: 0.9533310499696337
Energy: 0.8681592410178063
Energy: 0.9435161384716793
Energy: 0.9065257202616949
Energy: 1.0086745787548652
Energy: 0.9740001104141065
Energy: 0.8925729587146918
Energy: 0.9661564784537727
Energy: 0.9862915772976487
Energy: 0.8984306047604397
Energy: 0.876973723449742
Energy: 0.9664774997758371
Energy: 0.8799228816602654
Energy: 0.9341145795771253
Energy: 0.8795106444148314
Energy: 0.9070154070539962
Energy: 0.9267383383820992
Energy: 0.8884190334768338
Energy: 1.0101848748368916
Energy: 0.9768591565951156
Energy: 0.8927150910669785
Energy: 0.9229713193857166
Energy: 0.9388953888687408
Energy: 0.8854529265792576
Energy: 0.9487132116725256
Energy: 0.9686302014486726
Energy: 0.9305296879562008
Energy: 0.9395478472239156
Energy: 0.9870684106057541
Energy: 0.9106621422852124
Energy: 0.9382354166480458
Energy: 0.8660404419580542
Energy: 0.9082100647379842
Energy: 0.9465793463665747
Energy: 0.885696072510909
Energy: 0.9405715608210993
Energy: 0.9644265283140168
Energy: 0.8576613734448427
Energy: 0.9446655125491054
Energy: 0.9420803843589385
Energy: 0.9256762633198432
Energy: 0.9116381623977257
Energy: 0.9397167447109253
Energy: 0.893237697682229
Energy: 1.0023304060408624
Energy: 0.8914624208571651
Energy: 0.8896823277362667
Energy: 0.9038864777188438
Energy: 0.9346927073329484
Energy: 1.0316563880353216
Energy: 0.97130257581434
Energy: 0.9039801924649793
Energy: 0.8840137353603887
Energy: 0.9170661332756148
Energy: 0.9496798050376674
Energy: 0.981377026918363
Energy: 0.9640657456055066
Energy: 0.8729839033980612
Energy: 0.9074670260261553
Energy: 0.8636161038348198
Energy: 0.9421264997002738
Energy: 0.9209037429243748
Energy: 0.8616377348666182
Energy: 0.8760670240544488
Energy: 0.9529477576604918
Energy: 0.9943135485106223
Energy: 0.9590215870914753
Energy: 0.9376347717321007
Energy: 0.893854443738595
Energy: 0.9589072270500993
Energy: 1.0030218456133584
Energy: 0.8416734278934461
Energy: 0.9601249898774792
Energy: 0.9085666611921739
Energy: 0.9142119095886174
Energy: 0.9271479907721512
Energy: 0.8869695342263443
Energy: 0.9045551380293309
Energy: 0.9800295555866475
Energy: 0.9372428823442854
Energy: 0.8837105381964622
Energy: 0.9109929505548391
Energy: 0.8971828385825543
Energy: 0.9271649724147665
Energy: 0.8831142558896553
Energy: 0.8812503975267559
Energy: 0.9264573267331179
Energy: 0.9140073460768624
Energy: 0.9981688340068613
Energy: 0.9460737970103373
Energy: 0.8715967256846753
Energy: 0.9570666692329229
Energy: 0.8678995622850629
Energy: 0.9577582091110982
Energy: 0.9569409039434126
Energy: 0.9621293921614655
Energy: 0.9422060124222021
Energy: 0.9240689292242682
Energy: 0.907561760945202

minimum gb energy = 0.8414740693720563 eV
minimum distance =  2.49659226229745 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.9042096646431685
Energy: 0.8697424207601746
Energy: 0.9086723699820135
Energy: 0.858810297283554
Energy: 1.070349320652951
Energy: 0.8827665883689334
Energy: 0.9020570357145522
Energy: 0.8590793641347144
Energy: 0.8889747916220699
Energy: 0.8793405564452372
Energy: 0.9111833651708909
Energy: 0.862299787780333
Energy: 0.9301546350735936
Energy: 0.9120474844457173
Energy: 0.9290742829198617
Energy: 0.8933310695019118
Energy: 0.9421551252704232
Energy: 0.8801402282099857
Energy: 0.911921964960151
Energy: 0.9246090848925437
Energy: 0.9440650376355256
Energy: 0.9335307321296833
Energy: 0.9016464587542684
Energy: 0.9141503689146939
Energy: 0.8968195692737122
Energy: 0.8818597335222822
Energy: 0.858840434485077
Energy: 0.9182927720887395
Energy: 0.8685323861275479
Energy: 0.8953752672823435
Energy: 0.9358373546871677
Energy: 0.9012890728739911
Energy: 0.8989031970573301
Energy: 0.9776471409324108
Energy: 0.9891806498651492
Energy: 0.8733402583517484
Energy: 0.9312183336530133
Energy: 0.8679941993462839
Energy: 0.8924158407240207
Energy: 0.8607443097799639
Energy: 0.859610265195934
Energy: 0.9744192173939002
Energy: 0.8957063807410749
Energy: 0.9527110038944387
Energy: 0.9832030529359949
Energy: 0.8698283606487855
Energy: 0.8855927534251795
Energy: 0.891447549858954
Energy: 0.9797909911606717
Energy: 0.8839662535216278
Energy: 0.8935797973832346
Energy: 0.8970304899965279
Energy: 0.8966785625713879
Energy: 0.8987149728666618
Energy: 0.9203778792036844
Energy: 0.9562340702435373
Energy: 0.8988152927309562
Energy: 0.874796954502329
Energy: 0.9047641602649686
Energy: 0.9520239633010079
Energy: 0.960760400453698
Energy: 0.8847437026915099
Energy: 0.9034477820191805
Energy: 0.8900091147462187
Energy: 0.8835207305461542
Energy: 0.896115558659701
Energy: 0.8618656962362532
Energy: 0.9745730417621091
Energy: 0.882963169456933
Energy: 0.8743750384314719
Energy: 0.8798889196608248
Energy: 0.9000129891163862
Energy: 0.9005777654042294
Energy: 0.8868370722827001
Energy: 0.9417950408567932
Energy: 0.8727342748643485
Energy: 0.8798672932898287
Energy: 0.8794153226846261
Energy: 0.8897910343309119
Energy: 0.9119467371008495
Energy: 0.8847936666910741
Energy: 0.8655620155683119
Energy: 0.8929920114041311
Energy: 0.8642113603092251
Energy: 0.8981749057472499
Energy: 0.933030851261798
Energy: 0.8951764946959598
Energy: 0.8835787686482967
Energy: 0.8880010281002615
Energy: 0.9342033126218803
Energy: 0.9344518989857119
Energy: 0.9341272730079064
Energy: 0.8982008968920221
Energy: 0.9665044044130383
Energy: 0.8807649902493192
Energy: 0.8483954597171767
Energy: 0.8482693418146949
Energy: 0.9829871132859426
Energy: 0.8518066863530405
Energy: 0.9314004130487432
Energy: 0.9162247743319263
Energy: 0.884092428981484
Energy: 0.8613157675087597
Energy: 0.8848960086758026
Energy: 0.9741286637247392
Energy: 0.8711706295208989
Energy: 0.9406247363029335
Energy: 0.8689142587842875
Energy: 0.8744598143231473
Energy: 0.8631488366119087
Energy: 0.8700347374210857
Energy: 1.0124964590860601
Energy: 0.955041177933044
Energy: 0.9380509887039968
Energy: 0.8532619629499665
Energy: 0.866390017691251
Energy: 0.8517146277164132
Energy: 0.8586698330512006
Energy: 0.9597985417027056
Energy: 0.8834712748734015
Energy: 0.9277303399666701
Energy: 0.9056450757776913
Energy: 0.8544588826119077
Energy: 0.8768743648886222
Energy: 0.9408955538560941
Energy: 0.9267024343998838
Energy: 0.9194665254853478
Energy: 0.9099665542737962
Energy: 0.9169480930925162
Energy: 0.8508758082219213
Energy: 0.8640063401954642
Energy: 0.962039257797425
Energy: 0.9038225638269751
Energy: 0.8572198917480501
Energy: 0.8931032591350976
Energy: 0.890352148503649
Energy: 0.8900509940391724
Energy: 0.8640818031124656
Energy: 0.8649948574585078
Energy: 0.8583240836043381
Energy: 0.8590976373650883
Energy: 0.8583364797238779
Energy: 0.9077206978782978
Energy: 0.8741893502724895
Energy: 0.8856515977508711
Energy: 0.8684104536329791
Energy: 0.8584521900107783
Energy: 0.8645427284740305
Energy: 0.8588001873625907
Energy: 0.9281082633146289
Energy: 0.8535822462741198
Energy: 0.9878179519159309
Energy: 0.8893572154178728
Energy: 0.8590136957387028
Energy: 0.857787808862169
Energy: 0.8954606139338017
Energy: 0.891063660019943
Energy: 0.885234221817184
Energy: 0.8952795088802997
Energy: 0.9111923439314856
Energy: 0.8979507044913928
Energy: 0.8832240614873617
Energy: 0.9102409391975642
Energy: 0.9397296801966469
Energy: 0.8466585281946515
Energy: 0.9109746975983699
Energy: 0.8467657886164642
Energy: 0.919153905845183
Energy: 0.8595308348776659
Energy: 0.9552105327641671
Energy: 0.9281391306341671
Energy: 0.854128616887813
Energy: 0.8589912151251095
Energy: 0.8884445847498609
Energy: 0.9853167088951387
Energy: 0.8765168539913338
Energy: 0.9539479013674426
Energy: 0.8734909344425703
Energy: 0.8716665616066326
Energy: 0.8681018033081839
Energy: 0.9622604569946096
Energy: 0.9766223937736589
Energy: 0.9406238571908723
Energy: 0.9424626445911825
Energy: 0.8476556626310645
Energy: 0.8634235216776618
Energy: 0.8528164899681261
Energy: 0.8593045166651377
Energy: 0.9256654477213819
Energy: 0.9632247374478766
Energy: 0.9409306413257705
Energy: 0.9671824377418801
Energy: 0.8728289311158104
Energy: 0.8577094898768247
Energy: 0.9331568880652004
Energy: 0.9300591647221211
Energy: 0.8812215614209062
Energy: 0.9092938311246501
Energy: 0.9156865367633565
Energy: 0.8776426579954635
Energy: 0.907440194182496
Energy: 0.9377766362225366
Energy: 0.8883342432353032
Energy: 0.898297255969773
Energy: 0.9036388804353274
Energy: 0.8919318393731152
Energy: 0.8920744874603819
Energy: 0.9260711151604835
Energy: 0.8984285984816776
Energy: 0.8993031847153601
Energy: 0.8772005256013455
Energy: 0.8892721747148645
Energy: 0.911189798640635
Energy: 0.8962302442759763
Energy: 0.9114722797684615
Energy: 0.8917678934188662
Energy: 0.8832445006276125
Energy: 0.8795502084562524
Energy: 0.8718594450425867
Energy: 0.9228607112292558
Energy: 0.8692927584349049
Energy: 0.9388094465901449
Energy: 0.8742993376094238
Energy: 0.8821414359973831
Energy: 0.8954428077234099
Energy: 0.8861663582161879
Energy: 0.8886967193767201
Energy: 0.8890100657029275
Energy: 0.9295699663552083
Energy: 0.9306382866266054
Energy: 0.9114348681669531
Energy: 0.879212771336041
Energy: 0.9287953089099398
Energy: 0.9124755160306799
Energy: 0.8812444162713525
Energy: 0.8910173443390513
Energy: 0.9547900916378338
Energy: 0.9352592115182947
Energy: 0.8745250985930398
Energy: 0.8999839340460253
Energy: 0.8864235319133005
Energy: 0.9034408710450711
Energy: 0.8699411157407564
Energy: 0.8804479345085489
Energy: 0.9948709010666402
Energy: 0.8774279832820857
Energy: 0.9248546805918981
Energy: 0.8876400662823317
Energy: 0.8779726606790461
Energy: 0.8537002263176799
Energy: 0.976615574445633
Energy: 0.9457262693505477
Energy: 0.9219948159146253
Energy: 0.9595674960795371
Energy: 0.8631414282753365
Energy: 0.8765218118608995
Energy: 0.8536220307110607
Energy: 0.8571588154369186
Energy: 0.9624949208595568
Energy: 0.9160178346480105
Energy: 0.9027117625305879
Energy: 0.9305734699048047
Energy: 0.8825346438617511
Energy: 0.8549941978206891
Energy: 0.9323239017751256
Energy: 0.9697268805391189
Energy: 0.9006521616281331
Energy: 0.8886456294730989
Energy: 0.9080444302141445
Energy: 0.9096049584761845
Energy: 0.8643914608345703
Energy: 0.9345066137633031
Energy: 0.9158321201255474
Energy: 0.9302205188325229
Energy: 0.8883712682534003
Energy: 0.8926514387576588
Energy: 0.883059271769525
Energy: 0.9727614400205251
Energy: 0.9047181707861445
Energy: 0.9066663907611454
Energy: 0.8781924634937651
Energy: 0.8879045342874811
Energy: 0.8817990064234684
Energy: 0.9174509736511073
Energy: 0.8608043913705015
Energy: 0.9132752682820081
Energy: 0.8753637038676364

minimum gb energy = 0.8466585281946515 eV
minimum distance =  2.50314933474716 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9369966090040507
Energy: 0.8947258236366308
Energy: 0.9446565169873636
Energy: 0.8525857402098547
Energy: 0.9025849849562013
Energy: 0.8741641598474892
Energy: 0.8699179743314966
Energy: 0.8745981419401087
Energy: 0.900672249933699
Energy: 0.9144951925495348
Energy: 0.8903256986980758
Energy: 0.8792330700113403
Energy: 0.88790775715558
Energy: 0.899769620300027
Energy: 0.9069960518003444
Energy: 0.9209930450404656
Energy: 0.9191256283177722
Energy: 0.8902411634503304
Energy: 0.8912053771811149
Energy: 0.8975984036086391
Energy: 0.8729520936019193
Energy: 0.8678463570221239
Energy: 0.8756640347392933
Energy: 0.8945910870897177
Energy: 0.9481232188572479
Energy: 0.897766929024489
Energy: 0.8975043253522362
Energy: 0.8844066729999305
Energy: 0.9079833665640992
Energy: 0.8772998228149924
Energy: 0.8859886325006031
Energy: 0.9543392042458027
Energy: 0.9083365002795749
Energy: 0.9421017888102989
Energy: 0.9118126438435367
Energy: 0.8774311066624636
Energy: 0.8673362347123142
Energy: 0.8727764979900248
Energy: 0.8936250103061883
Energy: 0.8841251880398519
Energy: 0.8951165058088582
Energy: 0.8745787754122006
Energy: 0.9109462843594013
Energy: 0.887333343101004
Energy: 0.8739105903193513
Energy: 0.9045083395029134
Energy: 0.8720523564467703
Energy: 0.8690719814055345
Energy: 0.8958671289951022
Energy: 0.8952133816926612
Energy: 0.9220934193356467
Energy: 0.8938737932042164
Energy: 0.916612782191342
Energy: 0.9707401088744649
Energy: 0.9043835679577623
Energy: 0.8828107625591206
Energy: 0.929072192711972
Energy: 0.8831890964402654
Energy: 0.9173094512288579
Energy: 0.9111938235023794
Energy: 0.8636138637422032
Energy: 0.8785482629216489
Energy: 0.8404408180048557
Energy: 0.9018059094656539
Energy: 0.9136955386446509
Energy: 0.8699087153279748
Energy: 0.8588522612145755
Energy: 0.8962801330699287
Energy: 0.8709144513754224
Energy: 0.8746180892163276
Energy: 0.8812805601569
Energy: 0.8957360750682399
Energy: 0.8974340896986487
Energy: 0.9467833705063169
Energy: 0.91245487522837
Energy: 0.9025645337926512
Energy: 0.8570329145546011
Energy: 0.8730298276757075
Energy: 0.8858755982852221
Energy: 0.8767524719709788
Energy: 0.8905415439454102
Energy: 0.8703017397633265
Energy: 0.858040497967151
Energy: 0.9019837214542468
Energy: 0.9174501823930422
Energy: 0.8734332891195957
Energy: 0.876792224224524
Energy: 0.8852887714251957
Energy: 0.8813622797323011
Energy: 0.8902739784931979
Energy: 0.8919788508892641
Energy: 0.9146851652313142
Energy: 0.9505123326557811
Energy: 0.8890384434575982
Energy: 0.9291300197947678
Energy: 0.9686455864827678
Energy: 0.9274940356952597
Energy: 0.9330950131701498
Energy: 0.9077199399710686
Energy: 0.8827843180320123
Energy: 0.8696602485456075
Energy: 0.8854494027322944
Energy: 0.8849356455657457
Energy: 0.9438463924396882
Energy: 0.8910396248575121
Energy: 0.86639145040912
Energy: 0.910421766280379
Energy: 0.8538977318622833
Energy: 0.9091637884876721
Energy: 0.9258884667476394
Energy: 0.9022920944124173
Energy: 0.8673837771675367
Energy: 0.9089427536454797
Energy: 0.921492690230793
Energy: 0.9210338213291475
Energy: 0.9410384409014994
Energy: 0.9010768631626712
Energy: 0.9365194748099308
Energy: 0.9055813784054064
Energy: 0.8548569077079465
Energy: 0.8985652093786577
Energy: 0.8805189366259916
Energy: 0.91312361278188
Energy: 0.8755248860641378
Energy: 0.8848138686289074
Energy: 0.8978114555173045
Energy: 0.9041982276585369
Energy: 0.8842644021341785
Energy: 0.9369768629078186
Energy: 0.8646028192133075
Energy: 0.8999815423442966
Energy: 0.8696275214834019
Energy: 0.8790022609801214
Energy: 0.937379355220359
Energy: 0.9557173986401414
Energy: 0.951452823125514
Energy: 0.9276393869675039
Energy: 0.9536930779758208
Energy: 0.9395394925709497
Energy: 0.9875523619341896
Energy: 0.9030176637258427
Energy: 0.8973359357643186
Energy: 0.8908998599526677
Energy: 0.9033077948498239
Energy: 0.8799650316644646
Energy: 0.8826226600294391
Energy: 0.8870137200932906
Energy: 0.8672057137158404
Energy: 0.912097624097844
Energy: 0.8706652850556131
Energy: 0.9065769270187621
Energy: 0.8960810148778079
Energy: 0.8541597836175172
Energy: 0.8832215210507699
Energy: 0.944185299899172
Energy: 0.9132694400380142
Energy: 0.8827795925013168
Energy: 0.9331063807987671
Energy: 0.8986342711195202
Energy: 0.9486552638303059
Energy: 0.9204031632555352
Energy: 0.9410582689224457
Energy: 0.896542895501567
Energy: 0.8793775595946932
Energy: 0.9055805457672335
Energy: 0.8994324264562926
Energy: 0.8770706924190164
Energy: 0.8880643530443029
Energy: 0.9108322499232964
Energy: 0.8976287363866085
Energy: 0.8986109649232742
Energy: 0.8875430352052585
Energy: 0.8577051455976394
Energy: 0.8879462587377411
Energy: 0.8870681434502654
Energy: 0.9386806876296608
Energy: 0.9475762303277638
Energy: 0.90337256978218
Energy: 0.9275114479332908
Energy: 0.9673173314467213
Energy: 0.9259033657334639
Energy: 0.9696082005796973
Energy: 0.9118594521051535
Energy: 0.9007281728828787
Energy: 0.8865420032617557
Energy: 0.9047174577153246
Energy: 0.8826570751423858
Energy: 0.8588932279154474
Energy: 0.8922686865767481
Energy: 0.852119040646898
Energy: 0.9136829980487934
Energy: 0.8862065956454974
Energy: 0.9287597290909264
Energy: 0.8952408495249848
Energy: 0.8772558475302636
Energy: 0.9004976795064658
Energy: 0.8811288213643818
Energy: 0.8827461721742885
Energy: 0.9022532158832982
Energy: 0.9627383367183241
Energy: 0.9184313228438764
Energy: 0.975712199438555
Energy: 0.9138370436685515
Energy: 0.8952303521019052
Energy: 0.9013707797109801
Energy: 0.8890793601937442
Energy: 0.9095288898241861
Energy: 0.9305893733391692
Energy: 0.8664209076241515
Energy: 0.9368678696104554
Energy: 0.960686884335464
Energy: 0.8765276418838885
Energy: 0.9057528649690882
Energy: 0.9150622066677659
Energy: 0.8967152466610041
Energy: 0.9315947613445575
Energy: 0.9151483797422738
Energy: 0.8609143369452162
Energy: 0.8770984059552005
Energy: 0.8882640127039099
Energy: 0.9317252274916638
Energy: 0.9698304275437722
Energy: 0.9386624924771975
Energy: 0.9304552460211771
Energy: 0.9046654336901747
Energy: 0.8921019424238265
Energy: 0.8909941593343425
Energy: 0.88985029169062
Energy: 0.8908110350119036
Energy: 0.8944931370726427
Energy: 0.9166987744287806
Energy: 0.8821338415059262
Energy: 0.8616809929780123
Energy: 0.8835872497881949
Energy: 0.8932639665653005
Energy: 0.880387319958595
Energy: 0.879594439367789
Energy: 0.889377490691832
Energy: 0.8877827404889606
Energy: 0.9103746508000944
Energy: 0.9133650574351837
Energy: 0.9430031139020723
Energy: 0.885607887016337
Energy: 0.9417178737289491
Energy: 0.9178196551675634
Energy: 0.8848180139545854
Energy: 0.9366055588677797
Energy: 0.9514852551461324
Energy: 0.8870873978047781
Energy: 0.9377866922820484
Energy: 0.8764842289885364
Energy: 0.8954926187624083

minimum gb energy = 0.8404408180048557 eV
minimum distance =  2.47883325867624 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8298288610790496
Energy: 0.8745075318187506
Energy: 0.9660456103557261
Energy: 0.853644313214926
Energy: 0.8988656594669168
Energy: 0.931177264902227
Energy: 0.8145977640497961
Energy: 0.8182273587296257
Energy: 0.8802392910498773
Energy: 0.9034726518334013
Energy: 0.864914999920554
Energy: 0.8427118868781021
Energy: 0.8596161038453629
Energy: 0.9815397176276343
Energy: 0.8582971752013838
Energy: 0.8489853138006448
Energy: 0.9030588945072716
Energy: 0.854556952536287
Energy: 0.8402257190196176
Energy: 0.8586422715398601
Energy: 0.8587717922716858
Energy: 0.8563833718786273
Energy: 0.8460339429805512
Energy: 0.9249483826456534
Energy: 0.8466922047466842
Energy: 0.8666440035151068
Energy: 0.8566585220494416
Energy: 0.9666230961997496
Energy: 0.8609708658196378
Energy: 0.8385558052309281
Energy: 0.853871288687642
Energy: 0.8541815723569727
Energy: 0.9300962303916812
Energy: 0.8243852025368437
Energy: 0.8579232763141974
Energy: 0.8088508147267556
Energy: 0.8393458956753561
Energy: 0.8541258611010024
Energy: 0.8540401949884073
Energy: 0.8840871067085713
Energy: 0.8615734490975397
Energy: 0.9308365612633405
Energy: 0.8684104251132008
Energy: 0.8992346298772043
Energy: 0.8498071009476506
Energy: 0.9670535512144794
Energy: 0.8133824663739421
Energy: 0.810846740753947
Energy: 0.8794331976762598
Energy: 0.8106228421075964
Energy: 0.8845040322178839
Energy: 0.9632929119552257
Energy: 0.8540152980528777
Energy: 0.9322088423023537
Energy: 0.8671093971781794
Energy: 0.8639719142796449
Energy: 0.8109179300573508
Energy: 0.8807214962087877
Energy: 0.8657621784944587
Energy: 0.8353974835030725
Energy: 0.8383552737178047
Energy: 0.8253068148545909
Energy: 0.930196428199505
Energy: 0.8710019757152135
Energy: 0.873841540143663
Energy: 0.8554550063020425
Energy: 0.8542894752611472
Energy: 0.8381930897396498
Energy: 0.858772223602538
Energy: 0.8570950053052913
Energy: 0.8582106835408497
Energy: 0.8346855033696539
Energy: 0.85729971499597
Energy: 0.8319809877070526
Energy: 0.8425130293186125
Energy: 0.8713906533676683
Energy: 0.9659443631064627
Energy: 0.878052979619812
Energy: 0.8386198272499099
Energy: 0.8313349096626956
Energy: 0.8339880527646529
Energy: 0.8648539282958223
Energy: 0.8556700407926888
Energy: 0.8767373728202448
Energy: 0.8099876511340212
Energy: 0.8387873775244788
Energy: 0.8856421829338594
Energy: 0.8544295683243797
Energy: 0.8556462454688465
Energy: 0.8686244905053789
Energy: 0.8577965345295209
Energy: 1.0153568311057948
Energy: 0.8613985036156387
Energy: 0.8554485303921017
Energy: 0.8691931744802125
Energy: 0.8123342964480392
Energy: 0.810600405023129
Energy: 0.8774624238631713
Energy: 0.8185147866047029
Energy: 0.8808454913802665
Energy: 0.8493795129037058
Energy: 0.8668220529834769
Energy: 0.8101223565299203
Energy: 0.8095977708553547
Energy: 0.8875754626409474
Energy: 0.8086306249510348
Energy: 0.8958968192470845
Energy: 0.9633518262531562
Energy: 0.8565172083287977
Energy: 0.8988035438442813
Energy: 0.9497127596656382
Energy: 0.8142813929986356
Energy: 0.8590421992372781
Energy: 0.8803002340253546
Energy: 0.903521200598775
Energy: 0.8648157998709536
Energy: 0.8425084465102164
Energy: 0.8593563308275431
Energy: 0.9347474865629373
Energy: 0.8602174810350056
Energy: 0.8495615434479069
Energy: 0.9046655397217161
Energy: 0.8590590778631119
Energy: 0.8396943626682589
Energy: 0.8594122800159061
Energy: 0.8582825409051096
Energy: 0.8566211339086799
Energy: 0.8379936747667637
Energy: 0.900216116591499
Energy: 0.8467113084588492
Energy: 0.8666688510806575
Energy: 0.8565487900313138
Energy: 0.9657266258816475
Energy: 0.861187384667549
Energy: 0.8386363264223224
Energy: 0.8539366517944811
Energy: 0.8548763435870876
Energy: 0.8916259946392274
Energy: 0.8243396257901499
Energy: 0.8579075232818815
Energy: 0.8108631956960782
Energy: 0.8382358121807136
Energy: 0.8540609549421264
Energy: 0.8556215354884354
Energy: 0.8853201190991364
Energy: 0.8119530992054356
Energy: 0.9312097665658188
Energy: 0.8684736283121062
Energy: 0.8317839957179862
Energy: 0.8506161765605703
Energy: 0.9673283469979866
Energy: 0.8134962014540074
Energy: 0.8110394007981917
Energy: 0.8794576139056152
Energy: 0.8103625335567487
Energy: 0.8836951237922734
Energy: 0.9640877108829975
Energy: 0.8777512034999083
Energy: 0.9332615425296871
Energy: 0.8675144420655215
Energy: 0.8601970460747242
Energy: 0.8097634328842274
Energy: 0.8806044565886069
Energy: 0.8649835075255223
Energy: 0.8340616659379851
Energy: 0.843008074115172
Energy: 0.9106650066905894
Energy: 0.9303197897979995
Energy: 0.8681466516490999
Energy: 0.9006454892245808
Energy: 0.8557257573378848
Energy: 0.8544171841184157
Energy: 0.8401697989858867
Energy: 0.8588973732163854
Energy: 0.8570285065799459
Energy: 0.8583632143872092
Energy: 0.8307372157923312
Energy: 0.8575376113416477
Energy: 0.8316966839290244
Energy: 0.843107881715964
Energy: 0.8537100644107826
Energy: 0.903646758435049
Energy: 0.8791934945771902
Energy: 0.8384918162183999
Energy: 0.8308485703848266
Energy: 0.8375737377222084
Energy: 0.8648947918043918
Energy: 0.8553731721326701
Energy: 0.8769252287785106
Energy: 0.8104026892993639
Energy: 0.838248490685629
Energy: 0.8854698856119615
Energy: 0.8545760598842015
Energy: 0.8556170186720979
Energy: 0.8675310482344376
Energy: 0.8579128305361124
Energy: 0.8694753452151657
Energy: 0.8613691104869018
Energy: 0.854805485132364
Energy: 0.8681525384191459
Energy: 0.8128782723865873
Energy: 0.8105076832394881
Energy: 0.8776127182977436
Energy: 0.8177500324806931
Energy: 0.8796281571762354
Energy: 0.8494229386583245
Energy: 0.8389996091832527
Energy: 0.8105463278820828
Energy: 0.8095508705333628
Energy: 0.8877329335901004

minimum gb energy = 0.8086306249510348 eV
minimum distance =  2.50302586821845 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.0707214218884835
Energy: 0.9199075246808448
Energy: 0.859940219891616
Energy: 1.1180631832304002
Energy: 0.9030448664289695
Energy: 0.8963093187896914
Energy: 0.994193063752366
Energy: 0.8869363671876123
Energy: 0.8942280871529915
Energy: 0.9301283712557693
Energy: 0.8529835547619974
Energy: 0.9277361206628318
Energy: 0.9748885159069173
Energy: 1.039442631684457
Energy: 0.8501372670013372
Energy: 0.885953193127509
Energy: 0.8729425397392893
Energy: 0.9320089959998217
Energy: 0.9486617787644696
Energy: 0.8522688806981299
Energy: 0.9263892153747699
Energy: 0.8482835904654986
Energy: 0.9925704409984297
Energy: 0.9158085939701942
Energy: 0.8931070206708287
Energy: 0.8946592216717121
Energy: 0.8506606465492202
Energy: 0.8508024285468792
Energy: 0.8504685970016853
Energy: 0.8895641401196288
Energy: 0.868135271066894
Energy: 0.8398236304436367
Energy: 0.8405864012350881
Energy: 0.8875628386093722
Energy: 0.8819960121114704
Energy: 0.8307598916283894
Energy: 0.837196429032595
Energy: 0.9127194777386155
Energy: 0.8455319783151268
Energy: 0.8554515953025735
Energy: 0.8442919984951238
Energy: 0.8496712130577105
Energy: 0.8413415195890641
Energy: 0.8686283304825175
Energy: 0.8608242923691756
Energy: 0.878650582060395
Energy: 0.8488504214073722
Energy: 0.8620869725685331
Energy: 0.8726424499437486
Energy: 0.9090138089339235
Energy: 0.8792799683263866
Energy: 0.8715225390868191
Energy: 0.8697719310649181
Energy: 0.8910141388794613
Energy: 0.8702679872011294
Energy: 0.867938416130856
Energy: 0.8819161699437126
Energy: 0.8734408521777446
Energy: 0.8840487131988616
Energy: 0.9183812024068574
Energy: 0.9303274987823724
Energy: 0.9578630622742557
Energy: 0.9870205647765716
Energy: 0.7994073581683018
Energy: 0.9109648681032358
Energy: 0.8410393621177783
Energy: 0.9565250074094642
Energy: 0.911478645394739
Energy: 0.9130305970996843
Energy: 0.9763529905851175
Energy: 0.8814369095395527
Energy: 0.9008429012982248
Energy: 0.8532849059118294
Energy: 0.9124278630357281
Energy: 0.8437774576511261
Energy: 0.8362517195252656
Energy: 1.0030645991772653
Energy: 0.9238297503400937
Energy: 0.9072264484095569
Energy: 0.944515757356325
Energy: 0.9171204082946867
Energy: 1.0189900542729196
Energy: 0.8731025697134387
Energy: 0.8779311740019129
Energy: 0.7987177102804919
Energy: 0.9339068078511815
Energy: 0.9398095583133835
Energy: 0.9834510949518209
Energy: 0.9135904302597396
Energy: 0.9222125234465912
Energy: 0.9347924094968999
Energy: 0.8021114439842085
Energy: 0.9875465369665326
Energy: 0.928169504153596
Energy: 0.913082402064478
Energy: 0.8650362345840834
Energy: 0.8867125839376359
Energy: 0.9678244113993495
Energy: 0.8844045929011742
Energy: 0.9334230492552609
Energy: 0.8470625920685434
Energy: 0.8798488374041052
Energy: 0.9990439968535567
Energy: 0.9488673228229021
Energy: 0.8490761900949221
Energy: 0.9657013186500109
Energy: 0.8970479249367912
Energy: 0.8514622014564824
Energy: 0.9090954778403253
Energy: 0.902589876929263
Energy: 0.927566396747738
Energy: 0.8838176711711109
Energy: 0.8075615479041539
Energy: 0.9336145493693054
Energy: 0.883730416572042
Energy: 0.78237829194353
Energy: 0.8444198961285493
Energy: 0.8725246410045798
Energy: 0.881701976995757
Energy: 0.8300933365926789
Energy: 0.8900605405772061
Energy: 0.8661366612709706
Energy: 0.8606119727763961
Energy: 0.813663458291075
Energy: 0.8541126127085291
Energy: 0.9179632826192872
Energy: 0.8602835467970193
Energy: 0.869409281883101
Energy: 0.8584085007156311
Energy: 0.87804658860095
Energy: 0.8216768096962529
Energy: 0.8507322360448344
Energy: 0.8705982931954331
Energy: 0.8900736255051623
Energy: 0.8817109693857459
Energy: 0.878798563331697
Energy: 0.899197268024749
Energy: 0.8957074496979089
Energy: 0.9017746412942131
Energy: 0.8672100661711868
Energy: 0.8931446470068416
Energy: 0.929552433436391
Energy: 0.9177331024379546
Energy: 0.8773439158372641
Energy: 0.9710357334848048
Energy: 0.8544878335317356
Energy: 0.9521781240948738
Energy: 0.8508718494433009
Energy: 0.9355478663193754
Energy: 0.8691228467144186
Energy: 0.8767749774035172
Energy: 0.8405351273150103
Energy: 0.9194674963555064
Energy: 1.0061135721430012
Energy: 0.8863808824367351
Energy: 0.9386742753721246
Energy: 0.9314978861911936
Energy: 1.0330189014208495
Energy: 0.8948745743954835
Energy: 1.0168929819814503
Energy: 0.8590349632808935
Energy: 0.8505757870057725
Energy: 0.8852272702417547
Energy: 0.8991507254147661
Energy: 1.0065229078579407
Energy: 0.9086114619207382
Energy: 0.989743182787023
Energy: 0.963583139896066
Energy: 0.821582584852603
Energy: 0.9277427456115671
Energy: 0.9292803797386602
Energy: 0.8983163674614947
Energy: 0.8666982867761936
Energy: 0.9772727065442629
Energy: 0.9109391992666109

minimum gb energy = 0.78237829194353 eV
minimum distance =  2.47271810960446 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.9570682231718318
Energy: 1.062859550624423
Energy: 1.0586962617888893
Energy: 1.0117646204863504
Energy: 1.0341605895885775
Energy: 0.9821485596109625
Energy: 1.0776370469776047
Energy: 1.064873664982931
Energy: 1.0489342957175904
Energy: 0.9229160657847164
Energy: 1.0943734040966437
Energy: 1.0578300140683383
Energy: 1.0414053126228733
Energy: 0.9589031437036799
Energy: 0.9771570748997906
Energy: 1.0614581682342799
Energy: 1.0251787011973381
Energy: 1.0229310447661988
Energy: 0.9819135619343953
Energy: 0.9986567735168125
Energy: 0.9409539436503885
Energy: 0.9785981879519157
Energy: 1.054433168811187
Energy: 0.9845318550812906
Energy: 0.9733387158542343
Energy: 1.0271242211823792
Energy: 0.9949577571270039
Energy: 1.0539278240444092
Energy: 0.9495187764702231
Energy: 1.0676361327856336
Energy: 0.9284487818238388
Energy: 1.0015165532003454
Energy: 0.961460923507212
Energy: 0.9243652198667912
Energy: 0.9995584574319027
Energy: 0.9001301859898541
Energy: 0.9450246548448337
Energy: 0.9811834379366919
Energy: 0.9268141944852939
Energy: 0.9066205020059994
Energy: 0.9231558637116433
Energy: 0.9606009086029553
Energy: 0.9246212058386705
Energy: 0.9518407184518407
Energy: 0.9167302012194455
Energy: 0.8949066112772761
Energy: 0.976883214017226
Energy: 0.9655034654491182
Energy: 0.9644894391394405
Energy: 0.8938769852552875
Energy: 0.900059505405301
Energy: 0.8908699131903873
Energy: 1.0409545501357398
Energy: 0.9863672231193994
Energy: 0.9033819758142158
Energy: 0.9424319776414181
Energy: 0.8353709385173266
Energy: 0.8895320859295671
Energy: 0.9588903159059724
Energy: 0.8791291230567905
Energy: 0.8809193305226036
Energy: 1.0145674330004986
Energy: 1.0038913500499014
Energy: 0.977331774379998
Energy: 1.0093558588035014
Energy: 0.9081130052265297
Energy: 0.8840323623416322
Energy: 0.8830244746487521
Energy: 0.9349506919133523
Energy: 0.9447590330340961
Energy: 0.9802707171870205
Energy: 0.9211445314293559
Energy: 0.8678492194412029
Energy: 0.8908281996451692
Energy: 0.9006053945108634
Energy: 0.9482155654323764
Energy: 0.9578602364274317
Energy: 0.8666685140988183
Energy: 0.9218311006726987
Energy: 1.0156147386602334
Energy: 0.9915906070711444
Energy: 0.957728151028412
Energy: 0.9776645159755314
Energy: 0.9705540214145187
Energy: 0.9147581505605769
Energy: 0.8872222344958993
Energy: 0.8623844595588792
Energy: 0.9964387764401681
Energy: 0.9732654253421286
Energy: 0.8902987357877881
Energy: 0.9249961592600005
Energy: 0.942319591475256
Energy: 0.8862982174708428
Energy: 0.9158512815709249
Energy: 0.9080402878088923
Energy: 0.8867139927832679
Energy: 0.9253169371207828
Energy: 0.935035632561071
Energy: 0.8643600683685546
Energy: 0.9305911920143977
Energy: 0.9499151524189082
Energy: 0.9203801417371894
Energy: 0.8733521686123223
Energy: 0.9709400696990097
Energy: 0.9787355064955987
Energy: 0.9743398690482528
Energy: 0.9609020873015367
Energy: 0.9208797371115592
Energy: 0.954125362228564
Energy: 0.9853232423284195
Energy: 0.8913091237957838
Energy: 0.9896542933765519
Energy: 0.9423942574673562
Energy: 1.0380979960006607
Energy: 0.9585745981259349
Energy: 1.0165177899662534
Energy: 1.0101703326042801
Energy: 0.9920340219415054
Energy: 0.9529932693954927
Energy: 0.9328902135657117
Energy: 0.9926280685819043
Energy: 0.9748744639416164
Energy: 1.0025079449763605
Energy: 0.9483524134255196
Energy: 0.9904649682374254
Energy: 0.9491778786257745
Energy: 1.0221014264331854
Energy: 1.0554922042024784
Energy: 1.0566744280570428
Energy: 1.041451980437741
Energy: 1.0919107983611778
Energy: 0.964743140849142
Energy: 1.0514566463176815
Energy: 0.9855661726759946
Energy: 1.071044481202961
Energy: 0.9882744228649856
Energy: 1.0131614144552912
Energy: 1.0175559954182034
Energy: 0.9919353421449878
Energy: 1.1395550346581376
Energy: 1.0250624772991481
Energy: 1.0528932611550825
Energy: 0.8960449553500155
Energy: 1.026870689069651
Energy: 0.9579270165186344
Energy: 0.9683150059066378
Energy: 0.9903950256544536
Energy: 1.0334127253662715
Energy: 1.0391852797989598
Energy: 0.9929548215123366
Energy: 0.9736533303189235
Energy: 0.9327365043962605
Energy: 0.9664144847666641
Energy: 0.9569049954269923
Energy: 0.9694066156560175
Energy: 1.0404145325122562
Energy: 1.0265964001736114
Energy: 1.04467020361843
Energy: 1.0358469398619166
Energy: 0.9754765872596427
Energy: 1.0821333249595755
Energy: 1.062944764429043
Energy: 1.0515359752205007
Energy: 0.9717156530759543
Energy: 1.0252896808338496
Energy: 1.0613312103670864
Energy: 0.9126861742477853
Energy: 0.9394652979581861
Energy: 0.9394889639264824
Energy: 1.0491062769586903
Energy: 1.0135523326806957
Energy: 1.0204834764443067
Energy: 0.947349635117368
Energy: 0.990289067317348
Energy: 0.9128536130367597
Energy: 0.9828032272163735
Energy: 1.0812664091248887
Energy: 0.9854021832283979
Energy: 0.9550438466242063
Energy: 1.0526138015468234
Energy: 0.995983028596416
Energy: 1.0521083222056475
Energy: 0.997791973504075
Energy: 1.0670480202068815
Energy: 0.9614368677981728
Energy: 0.997889031599536
Energy: 0.976746590799238
Energy: 0.9697814606342113
Energy: 1.000104511759433
Energy: 0.908204294603717
Energy: 0.9431991739722615
Energy: 0.968501715969673
Energy: 0.9231549270995834
Energy: 0.908946111727167
Energy: 0.9319544926888921
Energy: 1.0207660644318453
Energy: 0.9267057833721695
Energy: 0.9521688622295417
Energy: 0.963686081864873
Energy: 0.9634394132146237
Energy: 0.9645094076513089
Energy: 0.9752271230847448
Energy: 1.0032179208590322
Energy: 0.8995589495650526
Energy: 0.8985196003237745
Energy: 0.8580825445611897
Energy: 1.0414739725748998
Energy: 0.9862278342136288
Energy: 0.8683047089328015
Energy: 0.9438468083814747
Energy: 0.8348551312535014
Energy: 0.8905204462323133
Energy: 0.9729723223144399
Energy: 0.8677404894827814
Energy: 0.9816164392991346
Energy: 1.0223861389321849
Energy: 1.0061510774811724
Energy: 0.9222885256791536
Energy: 0.9940434930017137
Energy: 0.9717410850139764
Energy: 0.884797045039299
Energy: 0.8936144990977354
Energy: 0.9796119216620783
Energy: 0.9424337461891646
Energy: 0.9798863361514892
Energy: 0.8450937248680347
Energy: 0.8916341196578286
Energy: 0.8990816565077772
Energy: 0.9012592068259093
Energy: 0.9680785357693387
Energy: 0.9581410551042621
Energy: 0.866378864492758
Energy: 0.9041624988202985
Energy: 1.0101659846509936
Energy: 0.9062925830608654
Energy: 0.9742577487345004
Energy: 0.9856603090956685
Energy: 0.9665556002324285
Energy: 0.9335171974589165
Energy: 0.8879893646706208
Energy: 0.9041077827859211
Energy: 0.9976645669230455
Energy: 0.979093230117058
Energy: 0.915385254786818
Energy: 0.9253313790489618
Energy: 0.9385782455328856
Energy: 0.8862015312383167
Energy: 1.0108018949432285
Energy: 0.9082241435463206
Energy: 0.8857364400032873
Energy: 1.0108844761849884
Energy: 0.9604989092961344
Energy: 0.8645894985417246
Energy: 1.0274917271199049
Energy: 0.9646536284465048
Energy: 0.8731819559388151
Energy: 0.8734902307210811
Energy: 0.9076833853340713
Energy: 0.9295507081758853
Energy: 0.9697472121207144
Energy: 0.9633982159202386
Energy: 0.8936634339367062
Energy: 0.9546459923483376
Energy: 0.9947904695304626
Energy: 0.9661816668308729
Energy: 0.9893003121631291
Energy: 0.9653611075901593
Energy: 0.979222469543509
Energy: 0.9547149999610599
Energy: 0.9329472436741226
Energy: 1.0101796819752131
Energy: 0.9514956650535089
Energy: 0.9500744524206148
Energy: 0.9331410610674147
Energy: 0.9934256362033282
Energy: 0.974544769447967
Energy: 1.0011016101485872
Energy: 0.9808997448617797
Energy: 0.9894654559679595
Energy: 0.9506265731162141
Energy: 1.023317108022763
Energy: 1.0526509450387251
Energy: 0.9044275786808981
Energy: 1.0802390422624726
Energy: 1.0587015557295016
Energy: 0.9678374304895323
Energy: 1.0760669561570793
Energy: 0.9851964451349903
Energy: 1.0686349566430933
Energy: 0.9901967390099727
Energy: 0.9549066522103449
Energy: 1.0181321131954864
Energy: 0.997556183976068
Energy: 1.1361871910262316
Energy: 1.0237451037533476
Energy: 1.0451701531790205
Energy: 0.9314243360108316
Energy: 1.0216404607494685
Energy: 0.9322922810310603
Energy: 0.9667930853593213
Energy: 0.9605387546074678
Energy: 1.032061361541519
Energy: 1.0369896077273193
Energy: 0.9895882741891986
Energy: 1.0084905543204754
Energy: 0.957738371564579
Energy: 0.9556697309222479
Energy: 1.0501426509662941
Energy: 0.9506877793793355
Energy: 1.0424955781355159
Energy: 1.0044579985284912
Energy: 1.0448991156004548
Energy: 1.0370684476851335
Energy: 1.0022121544509985
Energy: 1.0816233751078432

minimum gb energy = 0.8348551312535014 eV
minimum distance =  2.45034114480104 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.9147581246955292
Energy: 0.8801583212737107
Energy: 0.8820130914459406
Energy: 0.8848399082862076
Energy: 0.8867392867563132
Energy: 0.8817140141301667
Energy: 0.8817518224425055
Energy: 0.8545850749003745
Energy: 1.024982379944896
Energy: 0.8509823477024152
Energy: 0.848557578670584
Energy: 0.8494018944331481
Energy: 0.8502139819348051
Energy: 1.0227862136236185
Energy: 0.8996331292565598
Energy: 1.0351901354946564
Energy: 0.8523860733399714
Energy: 0.8705280117489009
Energy: 0.868271338077887
Energy: 0.8511992311568335
Energy: 0.8723810539529486
Energy: 0.9002784930189788
Energy: 1.056226293069422
Energy: 0.8506391498235722
Energy: 0.8796211846547205
Energy: 0.8694535499605034
Energy: 0.8504407316270318
Energy: 0.8739576213904618
Energy: 0.9177753097844917
Energy: 1.0231805576714894
Energy: 0.8535482674074193
Energy: 1.0235904994476341
Energy: 0.8480348544019121
Energy: 0.8557223890381043
Energy: 1.0196994641079862
Energy: 0.9007590301952381
Energy: 1.0630569323561065
Energy: 0.8700016754643353
Energy: 0.8843151394335178
Energy: 0.8862286751333606
Energy: 0.8721809814368914
Energy: 0.8792050487990475
Energy: 0.8995772720843002
Energy: 1.0201325565050123
Energy: 0.8513803300333017
Energy: 0.8679530786831953
Energy: 0.8502792735737088
Energy: 0.8519001776537514
Energy: 1.0269731070220696
Energy: 0.8994313583439929
Energy: 1.024462727554278
Energy: 0.8519675075361313
Energy: 0.868001940591117
Energy: 0.8485420004264865
Energy: 0.8518248906918899
Energy: 1.0258851289485635
Energy: 0.9014205594544903
Energy: 1.050301784439619
Energy: 0.849841445408672
Energy: 0.8823141828741836
Energy: 0.8853666508523548
Energy: 0.868897341289707
Energy: 0.8769809817197061
Energy: 0.9253484380956553
Energy: 1.0245560454400573
Energy: 0.8580236488037837
Energy: 1.025393458883439
Energy: 1.023338014543195
Energy: 0.8579860844664744
Energy: 1.019751163165623
Energy: 0.9010886035409242
Energy: 1.059294991558884
Energy: 0.8503096742958263
Energy: 0.8819554259021389
Energy: 0.884418148228685
Energy: 0.8492135452615658
Energy: 0.8756714666300514
Energy: 0.8985945028884724
Energy: 1.0260999399529303
Energy: 0.8523726984076271
Energy: 0.8680771716401882
Energy: 0.8875136533980422
Energy: 0.8515562814778701
Energy: 1.0265977483862336
Energy: 0.9000828563799732
Energy: 1.0255033783834127
Energy: 0.8518661290003874
Energy: 0.8681410817186926
Energy: 0.849960777263083
Energy: 0.8513147313401844
Energy: 1.025587139651532
Energy: 0.9010612572948938
Energy: 1.0504914189689234
Energy: 0.8732075012663422
Energy: 0.8846453534565577
Energy: 0.8871452359310281
Energy: 0.8757701427640813
Energy: 0.8806203608404882
Energy: 0.8304033575583866
Energy: 1.0253928573701705
Energy: 0.8339663450998205
Energy: 0.8489387249870809
Energy: 0.8498961844012621
Energy: 0.8514450983239066
Energy: 1.0204061796259853
Energy: 0.8998367706465514
Energy: 1.054575025714408
Energy: 0.8512696017962517
Energy: 0.8790590851419678
Energy: 0.8689098656890349
Energy: 0.850013437232877
Energy: 0.8739055560486857
Energy: 0.8996323684915366
Energy: 1.0408264589436302
Energy: 0.8511187952789923
Energy: 0.8706864497492486
Energy: 0.8686467575476107
Energy: 0.8517268938683739
Energy: 0.8726851391771181
Energy: 0.915817841129458
Energy: 1.0248699394247769
Energy: 0.8513347310871965
Energy: 0.8479485859299208
Energy: 0.8495633641421734
Energy: 0.8500265609284283
Energy: 1.0219006611841432
Energy: 0.9023074767821669
Energy: 1.0574529847213447
Energy: 0.8781566152329655
Energy: 0.8853058109375049
Energy: 0.887112470046194
Energy: 0.8785925154188353
Energy: 0.8813475794023413
Energy: 0.900675319691688
Energy: 1.0256395721597449
Energy: 0.8500775371557666
Energy: 0.8852747728049442
Energy: 0.8497673819326793
Energy: 0.8506713612441144
Energy: 1.0243680186525483

minimum gb energy = 0.8304033575583866 eV
minimum distance =  2.52538952731416 Angstroms
sigma value = 23