Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.075408697128296
cohesive_energy=2.975284478183433
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.1792436592164838e-19, 1.7070711382279797e-19, 2.1251110655712598e-19, 2.4773656203224998e-19, 2.78040130887726e-19, 3.0450648670477197e-19, 3.27887050324734e-19, 3.48611205085524e-19, 3.67033032023256e-19, 3.83421696812442e-19, 3.98102441309784e-19, 4.1124189188521797e-19, 4.2288330730786196e-19, 4.3314524864863196e-19, 4.42127050858836e-19, 4.49913629300076e-19, 4.56589899333954e-19, 4.622183458491959e-19, 4.66847034144822e-19, 4.70528836049754e-19, 4.733086125097439e-19, 4.75228020117276e-19, 4.76322306758298e-19, 4.7665555949817e-19, 4.762405957499639e-19, 4.748915630241359e-19, 4.724290175376779e-19, 4.68639869798268e-19, 4.63264567191198e-19, 4.55990685272838e-19, 4.464849713033159e-19, 4.342635679391639e-19, 4.1873366982580196e-19, 3.9918391053773397e-19, 3.74728286396358e-19, 3.44341404355914e-19, 3.06533240146782e-19, 2.59490129819274e-19, 2.0092416514003798e-19, 1.277699015552418e-19, 3.5900933144018397e-20, -7.97858328905856e-20, -2.2704124645087195e-19, -4.1634802881777596e-19, -6.62503242512268e-19, -9.86958430486974e-19, -1.4224188243717359e-18, -2.0190629941668e-18, -2.8582510715233197e-18, -4.07763566412804e-18, -5.926050825007499e-18, -8.88797874651696e-18, -1.400973690125646e-17, -2.3913287350766998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010214304769585186
Energy: 0.01417085653287099
Energy: 0.11952981654165275
Energy: 0.11879723099948612
Energy: 0.015193310233613349
Energy: 0.01158000905539868
Energy: 0.11699264084601779
Energy: 0.12034517109896387
Energy: 0.11824552379844097
Energy: 0.014344132701042936
Energy: 0.011225225020625167
Energy: 0.11716098816737099
Energy: 0.1193404971695251
Energy: 0.12018324649492727
Energy: 0.11963930401012066
Energy: 0.11753908942996574
Energy: 0.11733083373046037
Energy: 0.11927852667763922
Energy: 0.12080307101581757
Energy: 0.11875635732412133
Energy: 0.11953631108053503
Energy: 0.014173658418469591
Energy: 0.010603790115845155
Energy: 0.11779554508734244
Energy: 0.11892413947927852
Energy: 0.11891315956583846
Energy: 0.013349781048650228
Energy: 0.010575660961588757
Energy: 0.11735727903762042
Energy: 0.11968173138606603
Energy: 0.11901945416819362
Energy: 0.01150139708602607
Energy: 0.012111322881069418
Energy: 0.11708457218752084
Energy: 0.11744980029455163
Energy: 0.11940332486700053
Energy: 0.01289065215957918
Energy: 0.011078008005072179
Energy: 0.11887056899066119
Energy: 0.11703017491990612
Energy: 0.11819033978140919
Energy: 0.11829761086643789
Energy: 0.12042165463607844
Energy: 0.012600691242098576
Energy: 0.01083387250587018
Energy: 0.11785663880158948
Energy: 0.11898575559832078
Energy: 0.11987087404756053
Energy: 0.013434663631795064
Energy: 0.1173103860080049
Energy: 0.12000272971038276
Energy: 0.1177864942347094
Energy: 0.1185888544643084
Energy: 0.011433231871876623
Energy: 0.011217123510664177
Energy: 0.12076989351946736
Energy: 0.11727810587534555
Energy: 0.11892668418465363
Energy: 0.011905415579286595
Energy: 0.011221762797494867
Energy: 0.011126589443916894
Energy: 0.12094114417995436
Energy: 0.11878720258532187
Energy: 0.12030240873117468
Energy: 0.12159442185460957
Energy: 0.01566995906603074
Energy: 0.12186392061054056
Energy: 0.11833898024882021
Energy: 0.1183166034871675
Energy: 0.12095696471617047

minimum gb energy = 0.010214304769585186 eV
minimum distance =  2.84014661683953 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.0988442938496945
Energy: 0.994111702256616
Energy: 1.0355295506068365
Energy: 0.9243870126554565
Energy: 0.9216489965131113
Energy: 0.9192258335153918
Energy: 0.9222012584611898
Energy: 1.0369391911763266
Energy: 0.9250499131336157
Energy: 0.9946374957202626
Energy: 0.9221856365364682
Energy: 0.8054723334818217
Energy: 0.9264991012124442
Energy: 0.9250871450820116
Energy: 0.8090205462234057
Energy: 0.808604853997099
Energy: 0.9232489750322689
Energy: 1.036054227574969
Energy: 0.8142906496162078
Energy: 1.0049485117557748
Energy: 0.9073188032133782
Energy: 1.0679813065636534
Energy: 0.8694661079089012
Energy: 0.8052157163856392
Energy: 0.8082949631716249
Energy: 0.8050387569221495
Energy: 1.0672546035352295
Energy: 0.8702536479084343
Energy: 0.8065346472258065
Energy: 1.017634336862716
Energy: 1.0182227817717793
Energy: 0.9381513549597547
Energy: 0.994072716786327
Energy: 0.8050711231688603
Energy: 0.8090183847390586
Energy: 0.8055046147422997
Energy: 1.0405819892188979
Energy: 0.8711676120081957
Energy: 0.9974536258426607
Energy: 1.0184600151648977
Energy: 0.925344856440897
Energy: 1.0039768493223806
Energy: 1.019124887626107
Energy: 1.1086534517078466
Energy: 0.9791510166974666
Energy: 1.1669877617726427
Energy: 0.9969197628327057
Energy: 1.019990989607119
Energy: 0.9793714087054811
Energy: 1.0426350532214927
Energy: 1.06826363108192
Energy: 0.9960504709802885
Energy: 1.1085840018823696
Energy: 0.9794104499672879
Energy: 1.1774154686536566
Energy: 1.0685632080226335
Energy: 0.9960690536038134
Energy: 1.1521153078370951
Energy: 0.9792611861674553
Energy: 1.1516721272485109
Energy: 0.9251892116128494
Energy: 0.9258262561396604
Energy: 0.9257485210165222
Energy: 0.9755280446640451
Energy: 0.9264598535080608
Energy: 1.095407636660959
Energy: 1.031301214735366
Energy: 0.9887267027925544
Energy: 0.9753302277013723
Energy: 0.9264190888126771
Energy: 1.1017430774576746
Energy: 0.9264302119572966
Energy: 0.9241368438496953
Energy: 0.9221451086281822
Energy: 0.9263204400697173
Energy: 1.0949669918225657
Energy: 0.9236010383844504
Energy: 1.095403982874049
Energy: 0.9220499481948523
Energy: 0.9261791809573133
Energy: 0.9264114327016932
Energy: 0.8132922615354509
Energy: 0.9756625280270828
Energy: 0.9743258477942319
Energy: 0.9262276791123193
Energy: 1.0978484300982831
Energy: 0.8138687259546205
Energy: 0.9760268890742615
Energy: 0.9751589103157275
Energy: 0.9236086096035944
Energy: 1.2671214746396278
Energy: 0.9793762916396773
Energy: 0.9783291455287738
Energy: 0.905020017431289
Energy: 0.8724362907662119
Energy: 0.9040841986175097
Energy: 0.9833508074170562
Energy: 0.9787859933629877
Energy: 0.8366010681358528
Energy: 0.8724125804737747
Energy: 0.8978622980309058
Energy: 0.9769718430902464
Energy: 0.9812393016225087
Energy: 0.9039761070995146
Energy: 0.8730053483671586
Energy: 0.8971098210527416
Energy: 0.9812554877547516
Energy: 0.983405745087062
Energy: 0.9073620688104079
Energy: 0.8724450033164551
Energy: 1.1369829269743985
Energy: 0.9782469751672737
Energy: 1.1183912620769103
Energy: 0.9256476449458362
Energy: 1.031599567691741
Energy: 0.8067667601941314
Energy: 0.809078767986504
Energy: 0.9408340688325132
Energy: 0.9252415510843793
Energy: 1.036770971068044
Energy: 1.110929049126509
Energy: 0.9324700025685673
Energy: 1.1119181960032678
Energy: 0.996975970193452
Energy: 1.0690702801100767
Energy: 0.8068168657350882
Energy: 0.8078739892334947
Energy: 0.9409319883492363
Energy: 0.9958481089212189
Energy: 1.068385459868715
Energy: 1.074470909442122
Energy: 0.8091898806116994
Energy: 1.0355598965050195
Energy: 1.0369269779443377
Energy: 0.9259911931849126
Energy: 0.8075713825733649
Energy: 0.8088487741592555
Energy: 1.0377907576206937
Energy: 0.9252442166380608
Energy: 1.1724649808060859
Energy: 0.9926262460441405
Energy: 0.921819933673364
Energy: 1.0359048588782969
Energy: 0.9244747249322309
Energy: 0.9214442732908399
Energy: 0.9197187433089614
Energy: 0.9221630591402014
Energy: 1.0358391007546794
Energy: 0.9249183379980155
Energy: 0.994496736468656
Energy: 0.921061525162686
Energy: 1.0973027429392361
Energy: 0.9263769874586935
Energy: 0.9248770865396614
Energy: 0.8091919609242928
Energy: 0.8087312565282018
Energy: 0.9220250626065968
Energy: 1.035822100343713
Energy: 0.9262131697167741
Energy: 0.8094381943823244
Energy: 1.0623046564558296
Energy: 0.9541761026630406
Energy: 0.8697448028896309
Energy: 0.805510248487206
Energy: 0.8083404559569068
Energy: 0.8051392443164319
Energy: 0.8717505827325576
Energy: 0.8703931352134008
Energy: 0.8053347142886453
Energy: 1.0183228077747664
Energy: 1.0175415003711852
Energy: 0.8740566988993351
Energy: 0.8697175962968904
Energy: 0.8049115485566485
Energy: 0.9340288190910073
Energy: 0.805353623661284
Energy: 0.8740354945346267
Energy: 0.8704170438755812
Energy: 1.0186861115049128
Energy: 0.9422083319589345
Energy: 0.9257280012106245
Energy: 1.0351191323926576
Energy: 1.019598112377316
Energy: 0.9792062515620301
Energy: 0.9813976236206308
Energy: 0.9307342826206348
Energy: 1.035917232897189
Energy: 1.0191199629292034
Energy: 0.9787270264719073
Energy: 0.9821891504644854
Energy: 1.0690250568906887
Energy: 1.0674369043253273
Energy: 1.0188714809103803
Energy: 0.9807466623619585
Energy: 1.1610175218024177
Energy: 1.069026850218574
Energy: 1.067452677892901
Energy: 1.1530574392607196
Energy: 1.0457299518520942
Energy: 1.1502714639853908
Energy: 1.101403559466366
Energy: 0.925842088779344
Energy: 1.0209192628658519
Energy: 0.9750642897334387
Energy: 1.0986790173791403
Energy: 1.0933125170180267
Energy: 0.9258430892447588
Energy: 0.8963950845174384
Energy: 0.9754784081405552
Energy: 0.9274957554493144
Energy: 0.9250437812641583
Energy: 0.9237131443172554
Energy: 0.9242515490060486
Energy: 0.8318021508655564
Energy: 0.9260674549349631
Energy: 1.0960961369387552
Energy: 0.9237524065616943
Energy: 0.8336937674911544
Energy: 0.9217730273080544
Energy: 0.9254894635939939
Energy: 0.9261644262252647
Energy: 0.81351233513699
Energy: 0.9765754084668832
Energy: 0.8496491931873481
Energy: 0.9239298171910795
Energy: 1.0995343563868938
Energy: 0.8141196696356052
Energy: 0.976650472655481
Energy: 0.8499112182397095
Energy: 0.9235937440580362
Energy: 0.904085452325181
Energy: 0.979875954717607
Energy: 0.9773898010324834
Energy: 0.897818807956464
Energy: 0.8722632275226585
Energy: 0.9039936142439303
Energy: 0.9798811274986565
Energy: 0.9778250144694723
Energy: 0.8132186087473162
Energy: 0.8720668093630265
Energy: 0.988748552586279
Energy: 0.9789955610109501
Energy: 0.9811088262288143
Energy: 0.9039446859024222
Energy: 0.8726594580180518
Energy: 0.897186070621665
Energy: 0.9747850885110281
Energy: 0.982275039203845
Energy: 0.9977936428320635
Energy: 0.8721916474215025
Energy: 0.9999843493043085
Energy: 0.980999623597329
Energy: 0.9796154113509847
Energy: 0.9258616596161656
Energy: 1.0304136585274637
Energy: 0.8063113468887185
Energy: 0.8090999940562661
Energy: 0.9795821074973103
Energy: 0.9252231909978873
Energy: 1.0352564742873958
Energy: 1.110822845161151
Energy: 1.0539663776350539
Energy: 1.1382018242221816
Energy: 0.9986801186701959
Energy: 1.0688388756698737
Energy: 0.9408081019451247
Energy: 0.807660218212683
Energy: 0.9402882980313718
Energy: 1.0669625030132064
Energy: 1.0682184631009404
Energy: 1.0734348983645687
Energy: 1.0282742272833467
Energy: 1.035985931630146
Energy: 0.9263858734177529
Energy: 0.9252526410153431
Energy: 0.8075175555579549
Energy: 0.8084674406873616
Energy: 1.0389028322247404
Energy: 0.925098995238175
Energy: 0.938594009773951
Energy: 0.9925110684638037
Energy: 0.9219549375129262
Energy: 1.036573978438261
Energy: 0.9245018903072442
Energy: 0.9214302444177424
Energy: 0.9194483875117798
Energy: 0.9221101286201216
Energy: 1.0355209785410606
Energy: 0.9248526824827678
Energy: 0.9954395074027015

minimum gb energy = 0.8049115485566485 eV
minimum distance =  2.53281796750654 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.426299389116971
Energy: 1.1854144365055814
Energy: 1.0402246578465395
Energy: 1.2019384446083043
Energy: 1.175435564510943
Energy: 1.2195254352138156
Energy: 1.2015533854234834
Energy: 1.0939207337963996
Energy: 1.2218482499593175
Energy: 1.1719924344818393
Energy: 1.062188264244388
Energy: 1.1075647014999705
Energy: 1.0949365680905332
Energy: 1.0362763677194837
Energy: 1.0259103543566037
Energy: 1.0995725514689703
Energy: 1.215937494815147
Energy: 1.0886099602007548
Energy: 1.0882238275658846
Energy: 1.082898093903679
Energy: 1.140082704477217
Energy: 1.2309940062947267
Energy: 1.2297490309342758
Energy: 1.1277162887350105
Energy: 1.0753443240860678
Energy: 1.0687896124188043
Energy: 1.230860648801126
Energy: 1.2297273470428216
Energy: 1.1006386111904194
Energy: 1.0670724981250024
Energy: 1.123883061890695
Energy: 1.0302681927955735
Energy: 1.052742092642673
Energy: 1.068146806832523
Energy: 1.0633204658958162
Energy: 1.0761621214265757
Energy: 1.0304908892849622
Energy: 1.0977086947988355
Energy: 1.145420680603923
Energy: 1.0609077138595824
Energy: 1.2808819934553284
Energy: 1.0197307662525246
Energy: 1.2622825570855587
Energy: 1.2934012998638929
Energy: 1.294287667963126
Energy: 1.3106315634861854
Energy: 1.0189606473933273
Energy: 1.1990617186852646
Energy: 1.2767944650346854
Energy: 1.3018539148337223
Energy: 1.2407112838586871
Energy: 1.226468159011108
Energy: 1.268650899069865
Energy: 1.122197281098916
Energy: 1.2667936421729509
Energy: 1.2232447081567959
Energy: 1.2362236959613155
Energy: 1.2938051251098106
Energy: 1.1452687675140836
Energy: 1.3035872155794512
Energy: 1.0589424691217357
Energy: 1.1370740435465636
Energy: 1.0871140270841977
Energy: 0.9635232864938832
Energy: 1.0830152874787797
Energy: 1.0237470384065526
Energy: 1.1167351347186651
Energy: 1.2142369568646987
Energy: 1.037703521349422
Energy: 1.128008704939837
Energy: 1.0610090872607514
Energy: 1.1268031113154457
Energy: 1.2305357921491347
Energy: 1.2302722932954522
Energy: 1.0993682879129827
Energy: 1.0770052451564722
Energy: 1.1205218514416853
Energy: 1.2304725980697362
Energy: 1.2303132197520272
Energy: 1.1519906586190425
Energy: 1.0630693402318625
Energy: 1.1323962542423023
Energy: 0.9929388686666497
Energy: 1.0709218281679918
Energy: 1.070820135367438
Energy: 1.093042571675698
Energy: 1.0476273663289237
Energy: 1.0418836411579961
Energy: 1.047498860559415
Energy: 1.0380830762981466
Energy: 1.2496883993690462
Energy: 1.2598160637289435
Energy: 1.0483222068595142
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Energy: 1.25636646732126
Energy: 1.290495124949771
Energy: 1.2586509793628347
Energy: 1.2304382144489194
Energy: 1.2310716234447705
Energy: 1.26552810597253
Energy: 1.051044719413443
Energy: 1.2971267758923448
Energy: 1.2378222310749123
Energy: 1.227499826469109
Energy: 1.2282268044279265
Energy: 1.1637732401412806
Energy: 1.0736637068522226
Energy: 1.0395129379415955
Energy: 1.095124398851347
Energy: 1.0179822353116297
Energy: 1.0161909879650048
Energy: 0.9696867482759567
Energy: 1.0403850945939161
Energy: 1.11047886132995
Energy: 1.1685442017547196
Energy: 1.118721248379992
Energy: 1.150564088089837
Energy: 1.0671826151977675
Energy: 1.0960737224773174
Energy: 1.2299124372001193
Energy: 1.1127287212732522
Energy: 1.1031337261948773
Energy: 1.091775289339019
Energy: 1.1051635119700414
Energy: 1.2711972226259576
Energy: 1.1163296809620167
Energy: 1.0405831611916576
Energy: 1.0019944032674972
Energy: 1.083261738193445
Energy: 1.0323342178794315
Energy: 1.103356764446041
Energy: 1.050452045202662
Energy: 1.001778394087822
Energy: 1.0874605958525227
Energy: 1.0335811141448934
Energy: 1.0704111543995505
Energy: 1.3275973750508463
Energy: 1.2690717096709139
Energy: 1.2305091286603274
Energy: 1.066487872482645
Energy: 1.2281942860601542
Energy: 1.2471470917198715
Energy: 1.2692707505058005
Energy: 1.2279913383839296
Energy: 1.2283175752985922
Energy: 1.2290740023637936
Energy: 1.0751570611673884
Energy: 1.0845278198774906
Energy: 1.0283565340826792
Energy: 1.2308626573589945
Energy: 1.1126205622491145
Energy: 1.0942792229377634
Energy: 1.2587714951352789
Energy: 1.0048499285557793
Energy: 1.2279153779782708
Energy: 1.0060677246629035
Energy: 1.1335132785786444
Energy: 1.0451349429636598
Energy: 1.0013951946116062
Energy: 1.0119390456985833
Energy: 1.0677389193514424
Energy: 1.0547016744207913
Energy: 1.0647623297078865
Energy: 0.9984059415973389
Energy: 1.0033583498081549
Energy: 1.0851074671661705
Energy: 1.0756545873319046
Energy: 1.0913973536074153
Energy: 1.0920217289915974
Energy: 1.1028386829231909
Energy: 1.081240521085577
Energy: 0.9989916675904483
Energy: 1.0929725321884003
Energy: 1.0923161127504801
Energy: 1.0940282759422053
Energy: 1.0719606594801414
Energy: 1.0267041634120824
Energy: 1.0985040107517363
Energy: 0.9773664777873085
Energy: 1.0177841135064947
Energy: 0.9879233197316618
Energy: 1.0579441456827903
Energy: 0.9977512455009238
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minimum gb energy = 0.951305767757298 eV
minimum distance =  2.61822371402734 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.0855141204626455
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Energy: 1.1259377283203682
Energy: 1.1380608056978312
Energy: 1.1210879459587721
Energy: 1.1634431717882048
Energy: 1.1606520336210109
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Energy: 1.0511279629943568
Energy: 1.1367639539848275
Energy: 1.1397544487144005
Energy: 1.1389734055843752
Energy: 1.1446690247302274
Energy: 1.066642333380059
Energy: 1.1385529012422426
Energy: 1.1156452063825129
Energy: 1.1450108566580912
Energy: 1.1524204543390855
Energy: 1.1523920363137174
Energy: 1.1082515634670365
Energy: 1.1567641852503354
Energy: 1.1089334973691907
Energy: 1.0898072058130588
Energy: 1.0898263209044832
Energy: 1.1460530960334796
Energy: 1.06553860523089
Energy: 1.1312063875185046
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Energy: 1.1535687018884242
Energy: 1.1191365817374879
Energy: 1.0567021144021282
Energy: 1.1083470843764993
Energy: 1.04832389790515
Energy: 1.144475465313972
Energy: 1.1444432808065603
Energy: 1.1089357087459293
Energy: 1.1281377239151253
Energy: 1.064032974763362
Energy: 1.0884530121088587
Energy: 1.1541712538188875
Energy: 1.1225936862416486
Energy: 1.1987032423710646
Energy: 1.0655026846321687
Energy: 1.093075327805617
Energy: 1.1830177992706439
Energy: 1.07751123113973
Energy: 1.1789533192817678
Energy: 1.168669466012784
Energy: 1.1518836776915946
Energy: 1.1999263613978486
Energy: 1.1786956005205351
Energy: 1.2391259957790244
Energy: 1.1999320845965533
Energy: 1.1733798870775174
Energy: 1.2020856157710398
Energy: 1.1773919390242793
Energy: 1.1535414991294484
Energy: 1.149924834334788
Energy: 1.0686229467516561
Energy: 1.0209952868812058
Energy: 1.1498196430997591
Energy: 1.0486418066225394
Energy: 1.0202540868668928
Energy: 1.0211788659606174
Energy: 1.019620586937478
Energy: 1.180255153988552
Energy: 1.0640153468224647
Energy: 1.0194375300628673
Energy: 1.0201004152853426
Energy: 1.0192303852540974
Energy: 1.018795542880496
Energy: 1.012929722478414
Energy: 1.0192142973123453
Energy: 1.0205802080378967
Energy: 1.0193708685030072
Energy: 1.12662244432654

minimum gb energy = 1.012929722478414 eV
minimum distance =  2.52077115648392 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.1949823279749043
Energy: 1.0978696536807653
Energy: 1.0717557437311933
Energy: 1.07276530053692
Energy: 1.0436879529143959
Energy: 1.1596696209621216
Energy: 1.0715687684339568
Energy: 1.108762400360939
Energy: 1.0708806418407573
Energy: 1.098617343159969
Energy: 1.097750651419614
Energy: 1.1854619920864438
Energy: 1.1048631536212328
Energy: 1.1485387692407631
Energy: 1.1471349983062928
Energy: 1.0592058994769826
Energy: 1.0599943437848576
Energy: 1.071767014981694
Energy: 1.1886975894458311
Energy: 1.1512575838978034
Energy: 1.0709142410228736
Energy: 1.2023325267436695
Energy: 1.172574599426443
Energy: 1.070344566477324
Energy: 1.1891899024691661
Energy: 1.124434997346475
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Energy: 1.1989340365400845
Energy: 1.1752652210356438
Energy: 1.1765335398039578
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Energy: 1.0398415686779485
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Energy: 1.1622623275446886
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Energy: 1.0433821728935535
Energy: 1.177242808085789
Energy: 1.1405019239093124
Energy: 1.2359927269471362
Energy: 1.1656575078280251
Energy: 1.2260064007377611
Energy: 1.1221761021479153
Energy: 1.1201510939484798
Energy: 1.14832851570283
Energy: 1.0690759088267745
Energy: 1.2234571889034445
Energy: 1.0982256486860136
Energy: 1.166651508072991
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Energy: 1.1359208257436813
Energy: 1.1179599958760778
Energy: 1.0697420509532565
Energy: 1.074097006711456
Energy: 1.149889151858984
Energy: 1.183871407186733
Energy: 1.1395372482123935
Energy: 1.0691673220191698
Energy: 1.236299236361022
Energy: 1.135359867341323
Energy: 1.0589752566094226
Energy: 1.0974772475144923
Energy: 1.122741047118733
Energy: 1.159472741310155
Energy: 1.1862438637103667
Energy: 1.184497819472375
Energy: 1.1364375895290815
Energy: 1.1827652823170893
Energy: 1.1123732305376772
Energy: 1.0587677977217351
Energy: 1.0581482061542042
Energy: 1.102009741769042
Energy: 1.183503423000161
Energy: 1.170187463759559
Energy: 1.1366726736910984
Energy: 1.1876223836821354
Energy: 1.1124714368992719
Energy: 1.1317833905094934
Energy: 1.114272689358175
Energy: 1.1042949869122523
Energy: 1.1006657678267349
Energy: 1.059244066329848
Energy: 1.1861005292453406
Energy: 1.1141751746218034
Energy: 1.0882610629082898
Energy: 1.1033080374441457
Energy: 1.1101265345892501
Energy: 1.0969605506233868
Energy: 1.2476957989351891
Energy: 1.10809250686841
Energy: 1.0740035181171614
Energy: 1.0591727043452908
Energy: 1.0428064384300568
Energy: 1.148237925268619
Energy: 1.0711463513761383
Energy: 1.0725265269047985
Energy: 1.1404764562906147

minimum gb energy = 1.039669734119227 eV
minimum distance =  2.59571372028924 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.0149875314731551
Energy: 0.9507823404784369
Energy: 0.9709585114362891
Energy: 0.8926176603663236
Energy: 0.8936666359228717
Energy: 0.981548269016808
Energy: 0.8928851609899918
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Energy: 0.9769499654988962
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Energy: 1.023036939837462
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Energy: 1.0104138560737084
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Energy: 1.0308960705422752
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Energy: 1.0180063074826509
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Energy: 0.9359808989538506
Energy: 0.9392492174747276
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Energy: 1.0711526082382812
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Energy: 0.9726836415527058
Energy: 0.8927181039010774
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Energy: 1.0196324778940824
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Energy: 1.056834292454519
Energy: 1.0228995631543454
Energy: 1.0888109960140935
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Energy: 1.0583565340216723
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Energy: 1.0552946171341184
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Energy: 1.0408307818586033
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Energy: 1.0045453240583901
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Energy: 1.071120814623675
Energy: 1.0753550452879947
Energy: 1.0817058923391853
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Energy: 1.0426047498570319
Energy: 1.0708639889359828
Energy: 1.0778157073542598
Energy: 1.0162258432411477
Energy: 1.0665003455878246
Energy: 1.0426505512130588
Energy: 1.009440853828414
Energy: 0.9520301733685956
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Energy: 1.036058892156751
Energy: 1.0648920935017487
Energy: 1.0553331064655564
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Energy: 1.0780875766986613
Energy: 1.0123515213081036
Energy: 1.0233173107868057
Energy: 0.9964066357982952
Energy: 0.9938948825230907
Energy: 1.0679846896923828
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Energy: 1.0237084080476377
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Energy: 1.0795247722334576
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Energy: 1.0106360375549013
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Energy: 1.0719237304011244
Energy: 1.0533931676495727
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Energy: 1.0039052867688032
Energy: 1.0719238915136025
Energy: 0.9344799912214081
Energy: 1.025388919301904
Energy: 1.0164625525324742
Energy: 1.0076472700088728
Energy: 1.0251146526969732
Energy: 0.9332513029188393
Energy: 1.0509412612938844
Energy: 1.0051776012714122
Energy: 1.0262695429172575
Energy: 1.00149149904731
Energy: 1.0210046090444462
Energy: 1.0432873700202823
Energy: 1.0700642310886916
Energy: 0.8942755116386668
Energy: 1.0107623840060402
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Energy: 1.0734406074861396
Energy: 1.0601598222847595
Energy: 1.039335193114487
Energy: 1.0819965425275961
Energy: 0.9826965003291255
Energy: 0.9476386294431576
Energy: 0.9788914229229485
Energy: 0.8941974457419262
Energy: 0.9498862699142693
Energy: 1.0244230364876752
Energy: 1.0182722949387197
Energy: 1.0735574498507738
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Energy: 0.9666971482805328
Energy: 0.9802514664624137
Energy: 1.059591184444239
Energy: 0.9079310638047388
Energy: 0.8950663665837459
Energy: 0.932332646888063
Energy: 0.8933554970139708
Energy: 1.0301092337950861
Energy: 0.9806216293350749
Energy: 1.0163667083719319
Energy: 0.9571710165532651
Energy: 0.9464736295242165
Energy: 1.0160733443984165
Energy: 0.9781104776261943
Energy: 0.8929891480387636
Energy: 0.9663354002180237
Energy: 0.9465505487143496
Energy: 0.9955264996146366
Energy: 0.9658027236168463
Energy: 1.0156442868414068
Energy: 0.9793947473577275
Energy: 0.9777595901783344
Energy: 1.0666192666550238
Energy: 1.00363676038988
Energy: 0.969882873454713
Energy: 0.8935027372317196
Energy: 1.0281161872988667
Energy: 1.0245468666985929
Energy: 1.011591318879814
Energy: 0.8947682511687531
Energy: 1.0149663148754502
Energy: 0.9919626051235252
Energy: 0.8927708844920919
Energy: 1.0127678423562378
Energy: 0.9941250072057901
Energy: 0.8961162324598526
Energy: 0.9767845153121433
Energy: 0.892852320046635
Energy: 1.001604268864969
Energy: 0.9797885275269386
Energy: 0.9510595032272721

minimum gb energy = 0.8926176603663236 eV
minimum distance =  2.61374046144713 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.5940096966517271
Energy: 0.6349276487959732
Energy: 0.6140047117316716
Energy: 0.43268138404682605
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Energy: 0.7832917241526152
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Energy: 0.4386840027406006
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Energy: 0.438872772097752
Energy: 0.7660633368100234
Energy: 0.7367601787678041
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Energy: 0.766435938372489
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Energy: 0.6153082589120566
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Energy: 0.64638825034293
Energy: 0.6780722446736477
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Energy: 0.6470862587394055
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Energy: 0.6480569077187318
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Energy: 0.4381103934829577
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Energy: 0.6718006564204289
Energy: 0.6363644421098125
Energy: 0.6593797053888447
Energy: 0.6330218086817393
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Energy: 0.6587945426094669
Energy: 0.6344629726450257
Energy: 0.6360303890364661
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Energy: 0.6437292716632791
Energy: 0.5440564249252379
Energy: 0.6593193907977456
Energy: 0.6188983588217015
Energy: 0.6448767300741118
Energy: 0.6318576530388189
Energy: 0.4292492490478523
Energy: 0.6451584302983825
Energy: 0.6945508793579637
Energy: 0.6344707350137943
Energy: 0.5450533950840355
Energy: 0.5447280298857855
Energy: 0.6487983975749125
Energy: 0.6211607655813081
Energy: 0.6312607083024904
Energy: 0.43276559067258924
Energy: 0.43726054321907853
Energy: 0.6520151979842292
Energy: 0.6205351476736493
Energy: 0.6579510998810754
Energy: 0.6749994320414524
Energy: 0.6498170124458054
Energy: 0.6398955808369758
Energy: 0.6182277658100387
Energy: 0.6214528120131146
Energy: 0.6178973512275214
Energy: 0.6373589066996754
Energy: 0.6329499019415202
Energy: 0.616956956057791
Energy: 0.6208761804499316
Energy: 0.597832872343435
Energy: 0.6533148141455798
Energy: 0.6329887846934501
Energy: 0.6525653496788699
Energy: 0.6178332190861807
Energy: 0.4283430960114291
Energy: 0.6163722873825599
Energy: 0.6176478463354085
Energy: 0.6417431665278954
Energy: 0.5929037028254501

minimum gb energy = 0.4278212198243254 eV
minimum distance =  2.70740506225536 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.9248886850156828
Energy: 0.8904567368150109
Energy: 0.9016462389995
Energy: 0.8974225984194946
Energy: 0.8810022172723658
Energy: 0.8840190418174598
Energy: 0.8915379090556236
Energy: 0.8920900530141637
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Energy: 0.8884781305758789
Energy: 0.8885351471885023
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Energy: 0.8943373075051437
Energy: 0.8918299605653122
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Energy: 0.8896542097286947
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Energy: 0.9016955588268615
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Energy: 0.8981479360598729
Energy: 0.9029335756285078
Energy: 0.9038901482663401
Energy: 0.8905693547758031
Energy: 0.9007767082486385
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Energy: 0.8964918095845
Energy: 0.8923986853757192
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Energy: 0.9028039518256084
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Energy: 0.8963392967214219
Energy: 0.8931998704862677
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Energy: 0.9026100271328336
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Energy: 0.8891810078295748
Energy: 0.9089951084191108
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Energy: 0.8957864170420915
Energy: 0.89967869048924
Energy: 0.9108600467892267
Energy: 0.8929217644319635
Energy: 0.8936127742275327
Energy: 0.8991058033236632
Energy: 0.8972035821173591
Energy: 0.8907470338941196
Energy: 0.8915952753276134
Energy: 0.8922948990299698
Energy: 0.8998210843669061
Energy: 0.8984071220451427
Energy: 0.8915701014151839
Energy: 0.8923841802566895
Energy: 0.8920403914816483
Energy: 0.8862644115182017
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Energy: 0.8923959410283563
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Energy: 0.890056477363608
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Energy: 0.8922310562016799
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Energy: 0.8887558808490477
Energy: 0.8923116679938085
Energy: 0.891967275777669
Energy: 0.905308188548522
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Energy: 0.8927534654929755
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Energy: 0.8915506478776924
Energy: 0.8813191975553731
Energy: 0.8878145991287311
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Energy: 0.8829814492762043
Energy: 0.8972073329305132
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Energy: 0.8776008134958009
Energy: 0.8920114337323756
Energy: 0.9016967030333204
Energy: 0.8983418060537764
Energy: 0.8949733768997131

minimum gb energy = 0.8748614857801161 eV
minimum distance =  2.62569217346452 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.1897624967793146
Energy: 1.192367886902543
Energy: 1.2028463091460941
Energy: 1.2065565815175088
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Energy: 1.2134848997789784
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Energy: 1.1837766946321262
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Energy: 1.2086929255401662
Energy: 1.2180059666448095
Energy: 1.221123011796917
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Energy: 1.2118910570748682
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Energy: 1.1779408339638449
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Energy: 1.2135999353349025
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Energy: 1.1688789760172367
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Energy: 1.235647542453419
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Energy: 1.2356802279226793
Energy: 1.189325395529698
Energy: 1.203576614041275
Energy: 1.2101190296407696
Energy: 1.2145068808282886
Energy: 1.2119951618271287
Energy: 1.1898262034549945
Energy: 1.1854564541495611
Energy: 1.2144962291931025
Energy: 1.2122164351089058
Energy: 1.2225332724521
Energy: 1.2115601482598057
Energy: 1.1892891780300041
Energy: 1.1841616298562312
Energy: 1.2126487182538697
Energy: 1.2467183946286804
Energy: 1.2116249708350242
Energy: 1.1890832791855412
Energy: 1.2042095347782162
Energy: 1.2119993830011173

minimum gb energy = 1.1585354843458202 eV
minimum distance =  2.62163470226891 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.3430387063832308
Energy: 1.34308860825095
Energy: 1.4055863166361544
Energy: 1.3555026212835577
Energy: 1.3682826311126206
Energy: 1.3369771782972668
Energy: 1.357023131869292
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Energy: 1.3540257142621464
Energy: 1.347350692483089
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Energy: 1.3533867039871432
Energy: 1.4177682692872935
Energy: 1.3568071513100328
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Energy: 1.326115672272549
Energy: 1.3537836438097333
Energy: 1.3862029513875547
Energy: 1.3565786415835663
Energy: 1.3473269833284087
Energy: 1.3810391851646726
Energy: 1.3756554947562543
Energy: 1.322913646630362
Energy: 1.3197314450463111
Energy: 1.3537070476205022
Energy: 1.3512450586273053
Energy: 1.374867525958476
Energy: 1.323151028490797
Energy: 1.3267339686112225
Energy: 1.3534819275192678
Energy: 1.3503515760045506
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minimum gb energy = 1.3175612119837403 eV
minimum distance =  2.59761457226821 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.3692693230504958
Energy: 1.3401067934569073
Energy: 1.336165069083077
Energy: 1.3506595774987855
Energy: 1.3164478875192052
Energy: 1.3694200324961774
Energy: 1.3403687216612679
Energy: 1.3358739019193488
Energy: 1.347549333342557
Energy: 1.335914243541931
Energy: 1.3364456617766638
Energy: 1.338320645353809
Energy: 1.3579790664719922
Energy: 1.3369901081097717
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Energy: 1.3589641286272818
Energy: 1.3367168464914565
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Energy: 1.3692049152297865
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Energy: 1.3200493090214387
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Energy: 1.3784085165855773
Energy: 1.3906410092583228
Energy: 1.3208897517343121
Energy: 1.4183595635501105
Energy: 1.3409631016733372
Energy: 1.3360528946513202
Energy: 1.3916972630536597
Energy: 1.320244626354256
Energy: 1.321216532971782
Energy: 1.3403099101102525
Energy: 1.3362221044017484
Energy: 1.3373323194731512
Energy: 1.38564853690009
Energy: 1.3380506088064454
Energy: 1.3562472052515362
Energy: 1.3368413866744229
Energy: 1.3381802596526717
Energy: 1.3358095428022358
Energy: 1.337719467373915
Energy: 1.3555713703273893
Energy: 1.3363857896620812
Energy: 1.3338937355160148
Energy: 1.3339792768766396
Energy: 1.3722466479852755
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Energy: 1.3716419872848757
Energy: 1.3360758728869009
Energy: 1.3343801097999373
Energy: 1.371404562636203
Energy: 1.3376140870358668
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Energy: 1.3380178484166545
Energy: 1.3810064062389928
Energy: 1.3387723479576485
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Energy: 1.3793934213702272
Energy: 1.383307380901004
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Energy: 1.3792099285438686
Energy: 1.363552944991276
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Energy: 1.3377885381424284
Energy: 1.4505643833246396
Energy: 1.3445328259372464
Energy: 1.3378608632256155
Energy: 1.3571494210800252
Energy: 1.3364988591754392
Energy: 1.3445295113149358
Energy: 1.3450681488818976
Energy: 1.3378037726517662
Energy: 1.34003423181309
Energy: 1.3388411196068588
Energy: 1.3162993727573038
Energy: 1.315624184374167
Energy: 1.3577865023915272
Energy: 1.3392823720986637
Energy: 1.3724478588262392
Energy: 1.3167192645159127
Energy: 1.3153773143432057
Energy: 1.3576349105220744
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Energy: 1.3371082464621746
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Energy: 1.3353311505948788
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Energy: 1.3874754143331314
Energy: 1.3518127283045633
Energy: 1.3355522138304445
Energy: 1.3939036820852255
Energy: 1.33759008870364
Energy: 1.3889068234544089
Energy: 1.3512355397466393
Energy: 1.3347162720756167
Energy: 1.3919167115285822
Energy: 1.3373341708118458
Energy: 1.3205367214996317
Energy: 1.336421832836139
Energy: 1.382060657504148
Energy: 1.3329948265561589
Energy: 1.3205683088681477
Energy: 1.3675222088828138
Energy: 1.3361436233128974
Energy: 1.426241320183974
Energy: 1.3332203480825204
Energy: 1.3219795764402538
Energy: 1.4162514174286658
Energy: 1.337053272837405
Energy: 1.3376098206617022
Energy: 1.3681213482020425
Energy: 1.3202341024723607
Energy: 1.3409818996938907
Energy: 1.3362212814878047
Energy: 1.3386697899788251
Energy: 1.3682775732492527
Energy: 1.3204893768634518
Energy: 1.3376960693841473
Energy: 1.3559558364783426
Energy: 1.336101969888973
Energy: 1.3391469591847187
Energy: 1.3354788197913101
Energy: 1.3393426914531024
Energy: 1.3565612805407823
Energy: 1.3357025640132125
Energy: 1.3362521850433162
Energy: 1.3360628951968798
Energy: 1.3709415302826748
Energy: 1.3794278863333194
Energy: 1.3723088249002187
Energy: 1.334115315963288
Energy: 1.3362962338939515
Energy: 1.3710288649416933
Energy: 1.3790282544185064
Energy: 1.3736305741090102
Energy: 1.3336612515845343
Energy: 1.335826691629111
Energy: 1.3382328377994985
Energy: 1.384328286905571
Energy: 1.4098347864019765
Energy: 1.3376328098156032
Energy: 1.409457629251185
Energy: 1.3455772694660768
Energy: 1.3858119395019335
Energy: 1.4098523238829246
Energy: 1.3857826812676122
Energy: 1.4090713332530649
Energy: 1.3374478069841174
Energy: 1.3812471703658293
Energy: 1.3585865573612195
Energy: 1.3365171553055968
Energy: 1.4096931801576755
Energy: 1.336281362986949
Energy: 1.3812410585306816
Energy: 1.4546850412780095
Energy: 1.3371209163272566
Energy: 1.4102367461551621
Energy: 1.316134467005727
Energy: 1.3387802599767409
Energy: 1.3372604443630047
Energy: 1.3575033271751182
Energy: 1.4103897074755936
Energy: 1.414723510222822
Energy: 1.3385023119511186
Energy: 1.337779838270566
Energy: 1.3581233826049115
Energy: 1.4522574222020954

minimum gb energy = 1.3153773143432057 eV
minimum distance =  2.60730416984859 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.3221207210017996
Energy: 1.3325896986284793
Energy: 1.4299179916114284
Energy: 1.3375103736179272
Energy: 1.3324174775859972
Energy: 1.3227194744135646
Energy: 1.3403893126441255
Energy: 1.4298950289634698
Energy: 1.3377512565195804
Energy: 1.3318893485658654
Energy: 1.3255728448112076
Energy: 1.339961570993179
Energy: 1.3406698335734795
Energy: 1.3402518478880021
Energy: 1.34075550100455
Energy: 1.4256455815913174
Energy: 1.339070979287036
Energy: 1.3305133753583194
Energy: 1.3394951785717077
Energy: 1.3402491974167348
Energy: 1.3383880877829013
Energy: 1.3387763388020808
Energy: 1.3371738787560061
Energy: 1.3384930497529626
Energy: 1.4223286940192312
Energy: 1.3390933168689996
Energy: 1.3400855189162142
Energy: 1.3377415563713169
Energy: 1.4293431288137397
Energy: 1.4243980677325594
Energy: 1.4280684878557537
Energy: 1.3242307966090414
Energy: 1.3296972466493335
Energy: 1.3396697276707963
Energy: 1.424936663526013
Energy: 1.4283335360527696
Energy: 1.3233797916647305
Energy: 1.331307183361867
Energy: 1.3384754869407298
Energy: 1.324751191793134
Energy: 1.3381157255888354
Energy: 1.3322914786747242
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Energy: 1.338706445900516
Energy: 1.3391174763048006
Energy: 1.3316221629514053
Energy: 1.3242495328424917
Energy: 1.340174469093302
Energy: 1.3397010024738387
Energy: 1.3392343697334825
Energy: 1.4286908623796992
Energy: 1.3405252186282932
Energy: 1.3383789562812698
Energy: 1.3318166859810818
Energy: 1.3384660127556538
Energy: 1.4287527711861256
Energy: 1.3402434743819074
Energy: 1.3375438038445093
Energy: 1.3324083498465698
Energy: 1.4302236192013063
Energy: 1.323737684943937
Energy: 1.3400717586204112
Energy: 1.3403855252257537
Energy: 1.3403068137093237
Energy: 1.4300425787357807
Energy: 1.3230289199043854
Energy: 1.340632399770074
Energy: 1.340392707764724
Energy: 1.3408862470818226
Energy: 1.339526033449524
Energy: 1.4214151058707503
Energy: 1.3384999552695687
Energy: 1.322793401748835
Energy: 1.332581689903416
Energy: 1.3392317385617891
Energy: 1.419253468995058
Energy: 1.3376588508774976
Energy: 1.3224714429366395
Energy: 1.3331283220878531
Energy: 1.338831398875063
Energy: 1.3298346942506671
Energy: 1.3398218975211273
Energy: 1.3280842141798574
Energy: 1.4268698086222795
Energy: 1.3395628233701753
Energy: 1.3407558614762158
Energy: 1.340461353797847
Energy: 1.3263701933896148
Energy: 1.429240906428937
Energy: 1.3375777853260462
Energy: 1.3371900857814942
Energy: 1.4194458976142856
Energy: 1.4299251520129055
Energy: 1.3371446574311148
Energy: 1.336914186007236
Energy: 1.3370825322548208
Energy: 1.4193426498200403
Energy: 1.3435621628851149
Energy: 1.3373239685742286
Energy: 1.3253134195234428
Energy: 1.3412635467907397
Energy: 1.3369059950478568
Energy: 1.3391706333891071
Energy: 1.4284300848959004
Energy: 1.3265317140521795
Energy: 1.3410220666892458
Energy: 1.323061242813395
Energy: 1.431083836627481
Energy: 1.4272008582080002
Energy: 1.322312267964297
Energy: 1.340075206018152
Energy: 1.43047590111078
Energy: 1.3371974103561957
Energy: 1.3324753479610327
Energy: 1.3231854638370146
Energy: 1.340533084609024
Energy: 1.430966993962088
Energy: 1.3377136023065903
Energy: 1.3320721470809735
Energy: 1.4275357968853144
Energy: 1.3401753491211195
Energy: 1.3407696387941421
Energy: 1.3403715928109727
Energy: 1.3405696184746252
Energy: 1.4260677796095709
Energy: 1.3393851686882372
Energy: 1.330200810600818
Energy: 1.3397635651385136
Energy: 1.3402560374210797
Energy: 1.3381449444087241
Energy: 1.3388299522734979
Energy: 1.3370318818973084
Energy: 1.340242887343425
Energy: 1.4221897492187667
Energy: 1.338677581441474
Energy: 1.339728990932944
Energy: 1.337603267800374
Energy: 1.4292084144211528
Energy: 1.4241219497075275
Energy: 1.4279850544859378
Energy: 1.3244717257262757
Energy: 1.3294885089930837
Energy: 1.339492154568027
Energy: 1.425191089288427
Energy: 1.4282698975608357
Energy: 1.3235125835458321
Energy: 1.3311111593625997
Energy: 1.3388437125009975
Energy: 1.42340140827026
Energy: 1.3379079498922377
Energy: 1.3318271992582869
Energy: 1.3230457945607244
Energy: 1.3389887365794975
Energy: 1.3385849505436767
Energy: 1.3389769614644862
Energy: 1.3308446933411824
Energy: 1.3239764768907338
Energy: 1.3400106492735313
Energy: 1.3396995687385254
Energy: 1.3393247013935257
Energy: 1.4286762133036184
Energy: 1.3405156919100931
Energy: 1.3385863740536281
Energy: 1.3316952569985825
Energy: 1.3385108072203369
Energy: 1.4287075636282083
Energy: 1.3400320748628216
Energy: 1.3375699670715129
Energy: 1.3323163977691268
Energy: 1.4306499866869817
Energy: 1.323910508007197
Energy: 1.3400195853255095
Energy: 1.340212713952765
Energy: 1.3400369836265655
Energy: 1.4327362264817307
Energy: 1.3231300064313714
Energy: 1.3406037204781696
Energy: 1.340404396086305
Energy: 1.340845499462679
Energy: 1.3398518546098956
Energy: 1.4217616293762523
Energy: 1.3392457246043772
Energy: 1.3229691001604822
Energy: 1.3326450667705114
Energy: 1.34020487115855
Energy: 1.4197584866677158
Energy: 1.3377693214383983
Energy: 1.3225742550835038
Energy: 1.332633639633002
Energy: 1.3386869160641712
Energy: 1.3301408906978576
Energy: 1.3398327782731405
Energy: 1.3282683703511398
Energy: 1.4272831371250534
Energy: 1.3395217542009843
Energy: 1.3408206720218145
Energy: 1.3401090676266119
Energy: 1.3265615918399323
Energy: 1.3401602539267603
Energy: 1.3376315452446716
Energy: 1.3373656712203594
Energy: 1.4194258096550278
Energy: 1.4301444736735853
Energy: 1.3371328142395118
Energy: 1.3371465551803854
Energy: 1.3370889711294947
Energy: 1.4192051032578823
Energy: 1.340917684428817
Energy: 1.33720034657927
Energy: 1.3250040809168189
Energy: 1.3412249779114405
Energy: 1.3366106007275362
Energy: 1.4294865862795192
Energy: 1.4284470596795809
Energy: 1.3262185287037718
Energy: 1.3409887939282907
Energy: 1.3228988043259462
Energy: 1.429449413444142
Energy: 1.427279557474722

minimum gb energy = 1.3221207210017996 eV
minimum distance =  2.58621266753185 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.3065281098950672
Energy: 1.3599033269501604
Energy: 1.3539635336009819
Energy: 1.354943551784309
Energy: 1.3797442532594157
Energy: 1.3436900399923135
Energy: 1.3895605389483683
Energy: 1.4414028597586968
Energy: 1.358726944673534
Energy: 1.3066235715445864
Energy: 1.273871893847617
Energy: 1.3925701089378089
Energy: 1.3072068543091584
Energy: 1.373379056750994
Energy: 1.4288995016118193
Energy: 1.2777898210766654
Energy: 1.3889344834654451
Energy: 1.3067111659671695
Energy: 1.3650084039552934
Energy: 1.4030554601232947
Energy: 1.4331951390757678
Energy: 1.3006549915169408
Energy: 1.2835613389645324
Energy: 1.3373075764635238
Energy: 1.3587291503182637
Energy: 1.424609207106966
Energy: 1.3505612546740822
Energy: 1.2831813215228254
Energy: 1.3476407183319352
Energy: 1.2842215447165426
Energy: 1.288361185800742
Energy: 1.281552347284539
Energy: 1.3642287695097206
Energy: 1.4165333003385991
Energy: 1.2761116251735773
Energy: 1.279163995520299
Energy: 1.2805244196437697
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Energy: 1.4267969592671355
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Energy: 1.3085360309942848
Energy: 1.4184520376746075
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Energy: 1.2830383727373695
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Energy: 1.4043926053223508
Energy: 1.3144884153833425
Energy: 1.2828823315038975
Energy: 1.4182708792893723
Energy: 1.2747017742634716
Energy: 1.281975201999629
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Energy: 1.4621597678740064
Energy: 1.5028290907193447
Energy: 1.2899735033187036
Energy: 1.2831626940142982
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Energy: 1.479329938986165
Energy: 1.321572651385506
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Energy: 1.2824165547250714
Energy: 1.2836371433977898
Energy: 1.3193765771401686
Energy: 1.4226522083152375
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Energy: 1.2833523484487848
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Energy: 1.304678478876412
Energy: 1.280584362894463
Energy: 1.3964642015076199
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Energy: 1.2810065881223833
Energy: 1.30838392756676
Energy: 1.2801737023961797
Energy: 1.4000487906168684
Energy: 1.2854482815878312
Energy: 1.2705653149752267
Energy: 1.4105947386863529
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Energy: 1.2840589848861048
Energy: 1.2725513980573468
Energy: 1.4087450600487597
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Energy: 1.2992476795622265
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Energy: 1.3940862580871904
Energy: 1.3094853988366495
Energy: 1.2707563131241912
Energy: 1.3115348317739748
Energy: 1.3683843528463573
Energy: 1.3392004140184652
Energy: 1.3089592725993422
Energy: 1.2712080460131807
Energy: 1.310631181341882
Energy: 1.393480949039598
Energy: 1.3495832587850254
Energy: 1.3055415359077296
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Energy: 1.273560695355396
Energy: 1.3198877204650845
Energy: 1.2968114249305214
Energy: 1.3068162647759873
Energy: 1.2717183079928254
Energy: 1.2750245334876031
Energy: 1.6015943424408947
Energy: 1.3333320080312259
Energy: 1.403910809631745
Energy: 1.2958518720881997
Energy: 1.3695487769164851
Energy: 1.2958899452095523
Energy: 1.3279416577446896
Energy: 1.2722721908885206
Energy: 1.2961628932050018
Energy: 1.3746063515918652
Energy: 1.4141031338383903
Energy: 1.290635452702868
Energy: 1.2826353996227935
Energy: 1.3647724239433696
Energy: 1.3263442115360675
Energy: 1.3927798015925899
Energy: 1.2734689415134606
Energy: 1.2812784804561754
Energy: 1.3643483972091843
Energy: 1.391107401608572
Energy: 1.2784722178067285
Energy: 1.3829749257808777
Energy: 1.4150022096277362
Energy: 1.3325496668470869
Energy: 1.3163261554320649
Energy: 1.371451767595985
Energy: 1.3763998848310994
Energy: 1.3522045198040689
Energy: 1.3696100072101778
Energy: 1.3393269335522258
Energy: 1.2811402220413535
Energy: 1.273382472264056
Energy: 1.2732777519602467
Energy: 1.4186559604845603
Energy: 1.2876537597031175
Energy: 1.3249121150392624
Energy: 1.2717196060129436
Energy: 1.274350590574842
Energy: 1.3281958511159069
Energy: 1.2898485365353882
Energy: 1.4902277025936133
Energy: 1.442238920725204
Energy: 1.3253989985311008
Energy: 1.3545901607586208
Energy: 1.2992063677536994
Energy: 1.4539417187044592
Energy: 1.4126641552940185
Energy: 1.2996705364346792
Energy: 1.376129606513902
Energy: 1.2898107473800529
Energy: 1.27094325090494
Energy: 1.3155874542093524
Energy: 1.3828814707796429
Energy: 1.3084248646760097
Energy: 1.28085716524325
Energy: 1.2711884708383598
Energy: 1.3343276210712358
Energy: 1.274119711287103
Energy: 1.3100859495366286
Energy: 1.2804702265925023
Energy: 1.4900550781392816
Energy: 1.4734055859744861
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Energy: 1.3309879949123868
Energy: 1.2877019812331783
Energy: 1.4627430982360257
Energy: 1.4736379172213612
Energy: 1.3059841614846024
Energy: 1.2854417007946781
Energy: 1.286057148268459
Energy: 1.283837815021624
Energy: 1.2918803970679396
Energy: 1.2876203106555646
Energy: 1.283418400328366
Energy: 1.2922571566570438
Energy: 1.2842155430690916
Energy: 1.2919166666410928
Energy: 1.289339053593366
Energy: 1.2836680415929016
Energy: 1.2936764365911133
Energy: 1.2876070068814485
Energy: 1.2834598499257919
Energy: 1.3332954735727953
Energy: 1.2843985728825447
Energy: 1.2859026861812375
Energy: 1.2846909904688224
Energy: 1.2848653289320107
Energy: 1.336706292640527
Energy: 1.284099956368147
Energy: 1.2868564206564623
Energy: 1.3541896048123832
Energy: 1.3033825475675989
Energy: 1.3011654657988767
Energy: 1.3390165972246406
Energy: 1.3673122086854923
Energy: 1.3978265199858861
Energy: 1.2808632937931872
Energy: 1.2994865121345374
Energy: 1.270644618177937
Energy: 1.3271200081820647
Energy: 1.269218684760345
Energy: 1.2695481924217504
Energy: 1.3970291352381135
Energy: 1.2724861293741634
Energy: 1.3458123598919431
Energy: 1.2695850881136599
Energy: 1.2688476754250313
Energy: 1.4030759353919509
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Energy: 1.3485347465695268
Energy: 1.3300856757056398
Energy: 1.295770233174128
Energy: 1.2686651542394805
Energy: 1.2839443887126576
Energy: 1.3190444337360143
Energy: 1.3298054441093246
Energy: 1.2960957775618327
Energy: 1.2687899577395243
Energy: 1.3642601501677862
Energy: 1.286839448720182
Energy: 1.2678201536693607
Energy: 1.2923152921450638
Energy: 1.4964045330110005
Energy: 1.566051882106744
Energy: 1.4085986122200718
Energy: 1.2672509427692873
Energy: 1.337088554331067
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Energy: 1.2932397859986284
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Energy: 1.2791504852578233
Energy: 1.3865957697572917
Energy: 1.4072027028016836
Energy: 1.3228368027992021
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Energy: 1.2905495778706164
Energy: 1.3856803583714166
Energy: 1.405604444739746
Energy: 1.3226263733743193
Energy: 1.2902675216026571
Energy: 1.3484843996180451
Energy: 1.2840295336137533
Energy: 1.305900524464755
Energy: 1.2932851116672908
Energy: 1.414174858225749
Energy: 1.32994998344456
Energy: 1.2868290463840182
Energy: 1.305579737706778
Energy: 1.296248679745392
Energy: 1.4310662708841697
Energy: 1.2673315873954534
Energy: 1.3120143784950071
Energy: 1.2857818376372843
Energy: 1.3564718917533012
Energy: 1.3761769028129491
Energy: 1.4077407654281107
Energy: 1.3289604728984754
Energy: 1.283845436189214
Energy: 1.3458559454003767
Energy: 1.268588378691552
Energy: 1.2961594488029933
Energy: 1.4563997251840222
Energy: 1.409582785028704
Energy: 1.4654880165372803
Energy: 1.2698538908454586
Energy: 1.2964988526089603
Energy: 1.4254874002546736
Energy: 1.4147194018967302
Energy: 1.4655205283467656
Energy: 1.2693793959824582
Energy: 1.3052012704846856
Energy: 1.417083524715983
Energy: 1.2806364436022635
Energy: 1.2844125878074761
Energy: 1.4115644916499421
Energy: 1.2808571352052516
Energy: 1.3556428455727738
Energy: 1.2813925047514994
Energy: 1.285483328938675
Energy: 1.4104880009168246
Energy: 1.446668004034225
Energy: 1.2837372206636444
Energy: 1.283729730538878
Energy: 1.4436747657896951
Energy: 1.5311876792772732
Energy: 1.4407924753857242
Energy: 1.284291231355937
Energy: 1.2831130231715977
Energy: 1.4441064045900494
Energy: 1.3004817412836462
Energy: 1.2882667839792739
Energy: 1.282704681180761
Energy: 1.286758688029062
Energy: 1.306790024249614
Energy: 1.4446818053915507
Energy: 1.2862645794916574
Energy: 1.283115709988314
Energy: 1.2851266638178989
Energy: 1.3259692803895382
Energy: 1.4408533175963032
Energy: 1.293519264686699
Energy: 1.282775990566927
Energy: 1.2956995102906155
Energy: 1.2806460661403525
Energy: 1.3943433017074978
Energy: 1.2905870366936951
Energy: 1.2828218633111705
Energy: 1.2933876585114457
Energy: 1.2800203139773725
Energy: 1.3940588530254547
Energy: 1.3556082541706858
Energy: 1.3750740155472807
Energy: 1.3842351493659881
Energy: 1.281372917312949
Energy: 1.3512878383246276
Energy: 1.3442474181073387
Energy: 1.340959193482518
Energy: 1.3833265863694537
Energy: 1.2836824473189112
Energy: 1.38413075180393
Energy: 1.3785666962137153
Energy: 1.2706635856468325
Energy: 1.3326481968420893
Energy: 1.2708541654343124
Energy: 1.274272674283279
Energy: 1.3530344243649624
Energy: 1.270870381594451
Energy: 1.3384575040480002
Energy: 1.2701140834751368
Energy: 1.2751494321347576
Energy: 1.390955204001947
Energy: 1.3523462188108402
Energy: 1.3243598690843383
Energy: 1.3257343085681321
Energy: 1.2976882278508395
Energy: 1.3766599690110513
Energy: 1.3074167745447665
Energy: 1.3231661715141332
Energy: 1.2999523162812403
Energy: 1.27440654388637
Energy: 1.477073532799702
Energy: 1.4110878779016667
Energy: 1.2718064498766402
Energy: 1.2724248138167549
Energy: 1.344748231100174
Energy: 1.4979223501837589
Energy: 1.3950185345281014
Energy: 1.271781790090285
Energy: 1.2715947498109283
Energy: 1.3412988364982734
Energy: 1.3786635408347543
Energy: 1.2735969978240993
Energy: 1.2804652728236148
Energy: 1.3485038480294635
Energy: 1.3407154576125924
Energy: 1.3975679792830307
Energy: 1.2731116043234858
Energy: 1.2848991287883136
Energy: 1.3722955468039062
Energy: 1.3410035418513027
Energy: 1.2774538483643705
Energy: 1.3379127877215702
Energy: 1.3810050749889171
Energy: 1.3465083101816393
Energy: 1.287893129452675
Energy: 1.278371499845164
Energy: 1.3346680576763112
Energy: 1.3030885257109048
Energy: 1.3403636186442154
Energy: 1.310309087949631
Energy: 1.2803979041786415
Energy: 1.3538517379943502
Energy: 1.2733020264306005
Energy: 1.344728176440241
Energy: 1.2884712150338788
Energy: 1.2806163377828441
Energy: 1.2724745070569707
Energy: 1.2739516395424437
Energy: 1.303891954724322
Energy: 1.2937707613298526
Energy: 1.506290121661903
Energy: 1.444734854299201
Energy: 1.2720546140060296
Energy: 1.4437709498849483
Energy: 1.3064160591037166
Energy: 1.4651637033763751
Energy: 1.4461061418786036
Energy: 1.272312838554028
Energy: 1.4430739179998289
Energy: 1.2672474032084888
Energy: 1.2712716898145213
Energy: 1.3681891819591812
Energy: 1.4335553770502225
Energy: 1.333531751096362
Energy: 1.329019555359092
Energy: 1.2708752148658593
Energy: 1.3890036757736188
Energy: 1.4339128544300626
Energy: 1.331294795488699
Energy: 1.33241180670264
Energy: 1.4165805215364993
Energy: 1.4447156259693439
Energy: 1.48783927950138
Energy: 1.2932683237626281
Energy: 1.2858035433749555
Energy: 1.4105916145540167
Energy: 1.4881854767914662
Energy: 1.4882246874952718
Energy: 1.285854733276468
Energy: 1.2844368897174128
Energy: 1.2799098058963518
Energy: 1.3117777809934812
Energy: 1.3259394144052465
Energy: 1.2810821270038184
Energy: 1.2890589652326687
Energy: 1.2807518615289908
Energy: 1.284484422468118
Energy: 1.2916888238902529
Energy: 1.2799142499639764
Energy: 1.2936525401262893
Energy: 1.2831696063402358
Energy: 1.2844117611862795
Energy: 1.3448096308892301
Energy: 1.2826586688724089
Energy: 1.2848827664760756
Energy: 1.3550098799663621
Energy: 1.281539461741509
Energy: 1.347722779820068
Energy: 1.2812309300211073
Energy: 1.2857421246496972
Energy: 1.4013524919687608
Energy: 1.2802269044149577
Energy: 1.2805605611712383
Energy: 1.3915279052650833
Energy: 1.342653734454297
Energy: 1.3770807380849255
Energy: 1.2806567048532376
Energy: 1.2893945528416186
Energy: 1.3950712062702946
Energy: 1.3767153743115945
Energy: 1.2874031716916545
Energy: 1.2852794108304622
Energy: 1.3865555921530222
Energy: 1.4536997525482518
Energy: 1.2847524568290258
Energy: 1.2776536244171268
Energy: 1.277128354479449
Energy: 1.4020509450783258
Energy: 1.2721344960572742
Energy: 1.2870344070313167
Energy: 1.2933597813245727
Energy: 1.286164195389144
Energy: 1.289681912874592
Energy: 1.2805277380909086
Energy: 1.2753307785957873
Energy: 1.3020391867142287
Energy: 1.30027236509414
Energy: 1.3058993281354818
Energy: 1.2797672888010516
Energy: 1.2836414387200272
Energy: 1.287905434286353
Energy: 1.2856175100472909
Energy: 1.2947540167964482
Energy: 1.5637097900614627
Energy: 1.394076201257803
Energy: 1.2813924560575702
Energy: 1.3782273590829413
Energy: 1.2946701285181703
Energy: 1.3708919334594905
Energy: 1.3939082795133342
Energy: 1.3133512042511544
Energy: 1.3672553357822579
Energy: 1.3392640339224613
Energy: 1.33829150521858
Energy: 1.2693848571238815
Energy: 1.3285678385389998
Energy: 1.3686472028022822
Energy: 1.2819092160431476
Energy: 1.3378995642633666
Energy: 1.271376767847544

minimum gb energy = 1.2672474032084888 eV
minimum distance =  2.55506266993823 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2932907681756172
Energy: 1.148833854909528
Energy: 1.1949245620440543
Energy: 1.3096819537041773
Energy: 1.1518271579195305
Energy: 1.2732249886363192
Energy: 1.2265310257456727
Energy: 1.3329898377434712
Energy: 1.1497632811496412
Energy: 1.2818573982787027
Energy: 1.1418413789672948
Energy: 1.3460854231006556
Energy: 1.1452581631900836
Energy: 1.4333541701968593
Energy: 1.1502755085431282
Energy: 1.1469771201766104
Energy: 1.347259511754993
Energy: 1.1461213500060146
Energy: 1.3455949236330933
Energy: 1.1508963311479918
Energy: 1.2871755081442013
Energy: 1.3050263179136656
Energy: 1.2099222239484777
Energy: 1.1963694008988057
Energy: 1.1491486126400605
Energy: 1.2851548902254293
Energy: 1.306330322520357
Energy: 1.2099762012961084
Energy: 1.1975828733625573
Energy: 1.1484697766120588
Energy: 1.1989796743193228
Energy: 1.2010966964676966
Energy: 1.3532518631617079
Energy: 1.2846521497070085
Energy: 1.1468472066210078
Energy: 1.2003357276726292
Energy: 1.1952623212652418
Energy: 1.3534040054493273
Energy: 1.285002222345372
Energy: 1.2096088653031234
Energy: 1.2897065581517946
Energy: 1.2248480166621085
Energy: 1.1593537760846346
Energy: 1.1647716242177222
Energy: 1.2764594466371186
Energy: 1.1650711876773376
Energy: 1.2244301968473048
Energy: 1.1591786910784958
Energy: 1.1635518800140627
Energy: 1.274949382734108
Energy: 1.149262434728942
Energy: 1.152838318588499
Energy: 1.2107701141323082
Energy: 1.1664471941535033
Energy: 1.2726367522320072
Energy: 1.2322604797377958
Energy: 1.1517733173643465
Energy: 1.2972358700651518
Energy: 1.165776147722852
Energy: 1.2731338854795158
Energy: 1.2880507759969961
Energy: 1.2860274206779894
Energy: 1.2854513913522454
Energy: 1.1932098415932275
Energy: 1.2093594112870698
Energy: 1.2865244240488667
Energy: 1.2856403457411707
Energy: 1.2857989358755444
Energy: 1.333601506622052
Energy: 1.2103770362864716
Energy: 1.2974545362252798
Energy: 1.1477449020644435
Energy: 1.1520646112623534
Energy: 1.195259591973988
Energy: 1.3480805369683186
Energy: 1.3048723026036666
Energy: 1.1460101502161493
Energy: 1.1519564980807167
Energy: 1.198449830596438
Energy: 1.3477836760498318
Energy: 1.1988900380515637
Energy: 1.3536204649304537
Energy: 1.2272071890018414
Energy: 1.1464920608083256
Energy: 1.1985797422521667
Energy: 1.1972038945376784
Energy: 1.3536776800462278
Energy: 1.2262081330059256
Energy: 1.212700424744656
Energy: 1.1959263656500347
Energy: 1.232420374876098
Energy: 1.2946019711623915
Energy: 1.1462584086280092
Energy: 1.4284267728042304
Energy: 1.2264428031518917
Energy: 1.1651009693820094
Energy: 1.1560891992359748
Energy: 1.1466464404713927
Energy: 1.435202327808851
Energy: 1.2258470926872884
Energy: 1.1483531178292028
Energy: 1.1469966423813813
Energy: 1.2270208952738304
Energy: 1.2730197672428432
Energy: 1.1527702434067038
Energy: 1.1469375013510892
Energy: 1.146744893689505
Energy: 1.2271157244744768
Energy: 1.2737990842076024
Energy: 1.202242860686881
Energy: 1.1512693153338787
Energy: 1.1454625773080191
Energy: 1.145473206134057
Energy: 1.3143916294028366
Energy: 1.148761726383462
Energy: 1.1465838476138044
Energy: 1.1448481967340336
Energy: 1.1453285091797583
Energy: 1.3528058234554152
Energy: 1.1479686394123791
Energy: 1.1479292205390499
Energy: 1.1571952973537367
Energy: 1.209143547543598
Energy: 1.3532198756934948
Energy: 1.22796066932714
Energy: 1.1504085627708265
Energy: 1.1534181920513151
Energy: 1.211523479787228
Energy: 1.3463130676809099
Energy: 1.1484106937524872
Energy: 1.1480946330907709
Energy: 1.2301152223052576
Energy: 1.4691665335553932
Energy: 1.1467684855488696
Energy: 1.1513522309081787
Energy: 1.4210083114208534
Energy: 1.2289061916378943
Energy: 1.4741958126503083
Energy: 1.1475322933897643
Energy: 1.2281766037942412

minimum gb energy = 1.1418413789672948 eV
minimum distance =  2.63177264331758 Angstroms
sigma value = 33