Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
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=[2.3874835111551e-19, 3.54427106266944e-19, 4.486591249956539e-19, 5.29122037731768e-19, 5.9935825701305995e-19, 6.6148586034967785e-19, 7.168715044104239e-19, 7.6644124728975e-19, 8.1092247717949195e-19, 8.508679450183799e-19, 8.86681399318182e-19, 9.1871211458511e-19, 9.472484826132838e-19, 9.72535636427706e-19, 9.94781858990796e-19, 1.014173002792098e-18, 1.030862876788476e-18, 1.04498766599382e-18, 1.056669135832314e-18, 1.0660162343150699e-18, 1.073150726866272e-18, 1.07815272231762e-18, 1.081107136030716e-18, 1.08207805507092e-18, 1.0810222206691138e-18, 1.0775823474359158e-18, 1.071288997617564e-18, 1.061573398508988e-18, 1.047754625040738e-18, 1.02901396495284e-18, 1.004322820846266e-18, 9.72426688416594e-19, 9.3177786503538e-19, 8.804745670380659e-19, 8.161055185904819e-19, 7.355977449086159e-19, 6.35056354595214e-19, 5.09471341315758e-19, 3.5232344834650196e-19, 1.550224454465916e-19, -9.382698847563479e-20, -4.0978391114827794e-19, -8.142069392791919e-19, -1.3370292184860717e-18, -2.0210977584919797e-18, -2.92962804056802e-18, -4.157920735257779e-18, -5.855026334822279e-18, -8.26367459931252e-18, -1.179924584285934e-17, -1.7216990108963997e-17, -2.6003807422810197e-17, -4.1407454017412994e-17, -7.165206277275779e-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: 0.01951864084085369
Energy: 0.2651248634335025
Energy: 0.03036160755366783
Energy: 0.0299420660578166
Energy: 0.26360846496002793
Energy: 0.031455956287505644
Energy: 0.26411665077497926
Energy: 0.029646044993823995
Energy: 0.031128651675260875
Energy: 0.021458545144108897
Energy: 0.03121529843488638
Energy: 0.029318103747290727
Energy: 0.26461040939943625
Energy: 0.020251750569451162
Energy: 0.020423778324556937
Energy: 0.03225979728793246
Energy: 0.029839660801969255
Energy: 0.2641493650063252
Energy: 0.033031649907823965
Energy: 0.2631735647378276
Energy: 0.029874730942114097
Energy: 0.03438565373589898
Energy: 0.2628034984173789
Energy: 0.02179133353249089
Energy: 0.03384765303331062
Energy: 0.2675759266380968
Energy: 0.021161739254406016
Energy: 0.020015643692073395
Energy: 0.02898669691793149
Energy: 0.02966277788386128
Energy: 0.02128785343356536
Energy: 0.26294664011824864
Energy: 0.03107215112436163
Energy: 0.029902640284771992
Energy: 0.031726195717428844
Energy: 0.03210376190971625
Energy: 0.02031358901321128
Energy: 0.023207836130787297
Energy: 0.029998034270571745
Energy: 0.023549905543789967
Energy: 0.020748550401743816
Energy: 0.030521963846647363
Energy: 0.03028256551699859
Energy: 0.022030214961545776
Energy: 0.020249428016138632
Energy: 0.030593991730915843
Energy: 0.03121954627308685
Energy: 0.03029730284177445
Energy: 0.031392632633631894
Energy: 0.02016269353667363
Energy: 0.030037223039510886
Energy: 0.02972634442713263
Energy: 0.263327035869618
Energy: 0.020059067843583012
Energy: 0.022308531313979682
Energy: 0.029535326946285682
Energy: 0.024658603759950597
Energy: 0.021532495304582094
Energy: 0.03571217203171585
Energy: 0.03090939713065988
Energy: 0.022299900849197106
Energy: 0.2625788757517414
Energy: 0.030883379744210033
Energy: 0.26559884702607955
Energy: 0.02940121457865876
Energy: 0.03135131913023493
Energy: 0.019943814698528583
Energy: 0.02081665211903429
Energy: 0.2662991308395983
Energy: 0.031911500332004024

minimum gb energy = 0.01951864084085369 eV
minimum distance =  2.7183757466211 Angstroms
sigma value = 3


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

Energy: 2.488338002619171
Energy: 2.3177911214553855
Energy: 2.2521664279767655
Energy: 2.1463343105866093
Energy: 2.342584503375759
Energy: 2.3231493272476995
Energy: 2.2533394269073828
Energy: 2.251090765600924
Energy: 2.252433155619727
Energy: 2.348137512215568
Energy: 2.1453816671840515
Energy: 2.2496185228354766
Energy: 2.317416623090795
Energy: 2.40251650504392
Energy: 2.3356271027860904
Energy: 2.253137759644895
Energy: 2.2555505827389837
Energy: 2.3173461381647966
Energy: 2.319196895718082
Energy: 2.339250898900836
Energy: 2.1440346173098983
Energy: 2.1506534381275313
Energy: 2.3336289577011575
Energy: 2.1806018873719464
Energy: 2.251589549315093
Energy: 2.219372741038832
Energy: 2.4405939573457913
Energy: 2.3375102777706913
Energy: 2.2165373901485066
Energy: 2.2487658225034606
Energy: 2.286822524992773
Energy: 2.3352009020441824
Energy: 2.3389032004587023
Energy: 2.25127154101749
Energy: 2.1498318039728237
Energy: 2.254891523461204
Energy: 2.3211666676611244
Energy: 2.2225175686235366
Energy: 2.3262546442017977
Energy: 2.4372245222444993
Energy: 2.2197643579328608
Energy: 2.25481127284034
Energy: 2.4048222462238917
Energy: 2.2914839717867386
Energy: 2.255686248562396
Energy: 2.3152617365124466
Energy: 2.2537068381679335
Energy: 2.150494126252901
Energy: 2.2269458775992548
Energy: 2.1495818123810553
Energy: 2.182543907234104
Energy: 2.152579855302061
Energy: 2.139611858555699
Energy: 2.1442990622657874
Energy: 2.359274724162557
Energy: 2.3060155645550147
Energy: 2.2497422881484592
Energy: 2.14075493974859
Energy: 2.138947081120674
Energy: 2.1465973021066342
Energy: 2.1649435140003606
Energy: 2.1514068067284113
Energy: 2.1563792714992487
Energy: 2.149397486492837
Energy: 2.130538271129323
Energy: 2.1175484326831016
Energy: 2.1471467335123413
Energy: 2.2505263378636537
Energy: 2.1992585402653635
Energy: 2.1989277784811434
Energy: 2.164962082839838
Energy: 2.143804373080665
Energy: 2.1493698151742606
Energy: 2.126272621382947
Energy: 2.140988125875604
Energy: 2.1525589377321714
Energy: 2.1522483430985964
Energy: 2.2206249220496215
Energy: 2.1640672434158357
Energy: 2.1525097902100927
Energy: 2.151715793379746
Energy: 2.2227789320754847
Energy: 2.154846862984519
Energy: 2.149237432041641
Energy: 2.1525455342389095
Energy: 2.1456168872865446
Energy: 2.1544591969990226
Energy: 2.0948044084930175
Energy: 2.1640355260246755
Energy: 2.1466967561296824
Energy: 2.104119086702087
Energy: 2.251070601700946
Energy: 2.1552812306532596
Energy: 2.121246129462161
Energy: 2.130057974488885
Energy: 2.1441827276355587
Energy: 2.152329701237326
Energy: 2.1547704459321078
Energy: 2.1467859934701066
Energy: 2.206091448933825
Energy: 2.0164522280451664
Energy: 2.2159174395023737
Energy: 2.250589165902801
Energy: 2.143880914363475
Energy: 2.274284807059369
Energy: 2.120830869310803
Energy: 2.129872590925123
Energy: 2.1615834322563607
Energy: 2.15327653209046
Energy: 2.150328951761954
Energy: 2.147164347670126
Energy: 2.1472307007874867
Energy: 2.2483022323741175
Energy: 2.3153878301471926
Energy: 2.256924454842905
Energy: 2.380547425373773
Energy: 2.321210902967994
Energy: 2.255356941363556
Energy: 2.251896096504809
Energy: 2.1556691837893065
Energy: 2.317702357481747
Energy: 2.146175959044211
Energy: 2.2272706694312374
Energy: 2.255937127002198
Energy: 2.1562407474630603
Energy: 2.250767437166456
Energy: 2.3736044365359876
Energy: 2.335164391083763
Energy: 2.3041962544774517
Energy: 2.3448981986210433
Energy: 2.3343443352211986
Energy: 2.3454360554835145
Energy: 2.347432658732942
Energy: 2.318322616007716
Energy: 2.209693994608335
Energy: 2.1602281387726556
Energy: 2.33872782746186
Energy: 2.1370384290540594
Energy: 2.1387155217290914
Energy: 2.368281799378721
Energy: 2.3334475845003544
Energy: 2.2545423325685534
Energy: 2.25115522466794
Energy: 2.249772964972255
Energy: 2.344243706034748
Energy: 2.3536165656682004
Energy: 2.2422648474631415
Energy: 2.1018831411314625
Energy: 2.145680297799105
Energy: 2.3450899240874077
Energy: 2.2529368094824767
Energy: 2.2552486144456645
Energy: 2.255594852334442
Energy: 2.254407699164157
Energy: 2.336348550628458
Energy: 2.3697708551819168
Energy: 2.248954164461459
Energy: 2.3337055001860136
Energy: 2.417369029409973
Energy: 2.3368059440579185
Energy: 2.3293067547951214
Energy: 2.4383899302915246
Energy: 2.3341769277123054
Energy: 2.1946340324983633
Energy: 2.249652429454917
Energy: 2.2240094599935243
Energy: 2.150521894452044
Energy: 2.332063659325463
Energy: 2.23480006598359
Energy: 2.260967567365301
Energy: 2.305696175453031
Energy: 2.2203875838223195
Energy: 2.2214525268797036
Energy: 2.327268131887263
Energy: 2.430641082680259
Energy: 2.25615829547232
Energy: 2.3349451832991797
Energy: 2.34788153686483
Energy: 2.2491643839831608
Energy: 2.1518513288951606
Energy: 2.252746143033342
Energy: 2.3159123828031483
Energy: 2.1519994673610325
Energy: 2.203641849980265
Energy: 2.1190982663092086
Energy: 2.2753573955527417
Energy: 2.4049908407851173
Energy: 2.4290064332467063
Energy: 2.2912999544169006
Energy: 2.2554432322100113
Energy: 2.3060186996101724
Energy: 2.2495567823701297
Energy: 2.1521843858915766
Energy: 2.138859776914107
Energy: 2.1465073603576785
Energy: 2.154327546618145
Energy: 2.1138642062535333
Energy: 2.2560057221712277
Energy: 2.2160740255822438
Energy: 2.3047193489270503
Energy: 2.146076483509432
Energy: 2.1535520030642554
Energy: 2.2514133083125216
Energy: 2.1440111905319124
Energy: 2.143314620947724
Energy: 2.104943613520353
Energy: 2.150001801381343
Energy: 2.1542644796307893
Energy: 2.1389646068809065
Energy: 2.130222012931704
Energy: 2.176432553011923
Energy: 2.1519971949732173
Energy: 2.219933000270561
Energy: 2.281705902289543
Energy: 2.154322684326781
Energy: 2.1421163756706987
Energy: 2.1406927221191294
Energy: 2.157387740068577
Energy: 2.1445352734571514
Energy: 2.152189893533832
Energy: 2.14465061281629
Energy: 2.153802396413313
Energy: 2.1628020322541452
Energy: 2.164072940907071
Energy: 2.147221364679292
Energy: 2.1282446605011147
Energy: 2.209487064814248
Energy: 2.1555385138497343
Energy: 2.159773170505955
Energy: 2.152303186932888
Energy: 2.1290821770032546
Energy: 2.1504589241150938
Energy: 2.157425491926022
Energy: 2.1518249181574562
Energy: 2.211609209851263
Energy: 2.1456202122563024
Energy: 2.249539855756925
Energy: 2.1515821624722324
Energy: 2.161368014501062
Energy: 2.1255843277011928
Energy: 2.097224272311529
Energy: 2.140662900117654
Energy: 2.15512090148424
Energy: 2.1550543596594847
Energy: 2.148630551112881
Energy: 2.1469147031458706
Energy: 2.146144961717901
Energy: 2.3188688203087384
Energy: 2.1458730781414124
Energy: 2.2467718466500215
Energy: 2.379386120496653
Energy: 2.3224862468623506
Energy: 2.255738158333569
Energy: 2.250264815696925
Energy: 2.2228691640358766
Energy: 2.221441639134161
Energy: 2.1475336318724305
Energy: 2.2489086435590724
Energy: 2.3072867688411622
Energy: 2.318973175692209
Energy: 2.229884946547668
Energy: 2.3021021394006134
Energy: 2.337022978689415
Energy: 2.2911926346229095
Energy: 2.3449761060744128
Energy: 2.317057436256176
Energy: 2.1376007460893
Energy: 2.253221126451367
Energy: 2.2565145022221063
Energy: 2.1501286462360305
Energy: 2.1624683832004803
Energy: 2.343089966353921
Energy: 2.333605472894553
Energy: 2.139272794745177
Energy: 2.2993561769339594
Energy: 2.33123337364944
Energy: 2.344779317920594
Energy: 2.3477761289541212
Energy: 2.376164255690345
Energy: 2.209382250627971
Energy: 1.196909193731826
Energy: 2.325190318145528
Energy: 2.2685436724602193
Energy: 2.211484872731195
Energy: 2.2524358185701367
Energy: 2.331185601730308
Energy: 2.254494725934268
Energy: 2.360551225718551
Energy: 2.250393954303463
Energy: 2.363781290945641

minimum gb energy = 1.196909193731826 eV
minimum distance =  2.55831210428549 Angstroms
sigma value = 75


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

Energy: 1.8140837909351115
Energy: 2.0517864492257516
Energy: 2.0017105139203633
Energy: 1.976037831939314
Energy: 2.073001525624483
Energy: 1.968029877049146
Energy: 1.796740471721725
Energy: 2.06221114291045
Energy: 1.9999070239797936
Energy: 2.0524678919756543
Energy: 1.9864978874750465
Energy: 1.9867410138919763
Energy: 2.1058799330598967
Energy: 1.9407704068812803
Energy: 1.664947873345746
Energy: 2.008209869968528
Energy: 1.9808934654011896
Energy: 2.0278063099677452
Energy: 1.8497139636032371
Energy: 2.033479743483348
Energy: 1.8418632487441493
Energy: 1.9871318207060167
Energy: 1.9823963153826036
Energy: 2.0469204406879182
Energy: 2.0122881161044295
Energy: 2.1820424392138187
Energy: 1.8694086763910125
Energy: 2.152854002745402
Energy: 2.1725531731578043
Energy: 2.0374162511221297
Energy: 1.7172118673337804
Energy: 1.9730252289054933
Energy: 1.965211048540905
Energy: 1.9979410667226132
Energy: 2.0404413951665146
Energy: 2.026930573362829
Energy: 2.005938691143333
Energy: 2.1681207169306167
Energy: 1.716714461452987
Energy: 2.001710354496491
Energy: 1.9374512738784115
Energy: 2.001011508780288
Energy: 2.002699922561661
Energy: 1.9973781935572197
Energy: 2.061285773011237
Energy: 2.0505951722339177
Energy: 2.05020777920965
Energy: 2.10498541510386
Energy: 2.0250708090042817
Energy: 1.9822540043942585
Energy: 2.017059408365026
Energy: 2.0713687894211925
Energy: 2.063636982565252
Energy: 2.0532814020290546
Energy: 1.9952071274506846
Energy: 2.0457200089805934
Energy: 2.0444817525078327
Energy: 2.0436413422992064
Energy: 2.0616293967844985
Energy: 2.0151987127451947
Energy: 2.036189014201792
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Energy: 1.997601818642135
Energy: 2.22665015494525
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Energy: 2.0144191783735166
Energy: 2.042725979801126
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Energy: 2.1750415472245397
Energy: 1.9743930957605622
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Energy: 1.9924810304968783
Energy: 2.041563067255421
Energy: 2.0707824420066347
Energy: 2.062019594886274
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Energy: 2.0515152287981673
Energy: 2.048218154661573
Energy: 2.0757309973035842
Energy: 1.908220931597317
Energy: 2.0359561228703207
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Energy: 1.8355282750459214
Energy: 1.987703769796174
Energy: 2.0000930234252166
Energy: 2.0594366767529286
Energy: 1.908839302188011
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Energy: 2.014847905462521
Energy: 2.134061836833993
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Energy: 0.6885261304907818
Energy: 2.0366468736620567
Energy: 1.8403863256855957
Energy: 1.9589981542286397
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Energy: 2.0373762909196746
Energy: 2.048500414844328
Energy: 1.9369628318027385
Energy: 2.0691639087481395
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Energy: 2.063721543394151
Energy: 2.040924497379466
Energy: 1.9962353574380187
Energy: 1.0149644564095104
Energy: 1.9629345784411438
Energy: 1.9164069025402148
Energy: 1.939017190215066
Energy: 2.0089127907112143
Energy: 2.03371921301265
Energy: 1.9891242421238904
Energy: 2.077088929176798
Energy: 1.9968360841857136
Energy: 1.9930658778738921
Energy: 2.053780592573429
Energy: 2.0066869318117813
Energy: 2.128396678568945
Energy: 2.1898562000853445
Energy: 1.9414048393744625
Energy: 2.0595561744634296
Energy: 2.0488220316230614
Energy: 1.7656627711304187
Energy: 1.7357724945500559
Energy: 2.058303702962997
Energy: 2.057266473038715
Energy: 2.08358727472069
Energy: 2.064081292394752
Energy: 2.060651124401843
Energy: 2.0291056039340094
Energy: 2.119098935742333
Energy: 1.9111273755639486
Energy: 2.0510758766949118
Energy: 2.076498227437458
Energy: 2.03132151926643
Energy: 2.0652094921929502
Energy: 2.1106585170414704
Energy: 2.066069197083303
Energy: 2.0665425823383585
Energy: 2.073005895392545
Energy: 2.0879015959853864
Energy: 2.0570640884843834
Energy: 2.030345323015412
Energy: 2.061733405112572
Energy: 2.0941323389394078
Energy: 2.0609827923265116
Energy: 2.0775089854989433
Energy: 2.0420865323297854
Energy: 2.0517138171906097
Energy: 2.0492100430267848
Energy: 2.032458750196927
Energy: 2.0781705623875757
Energy: 2.0624415861158956
Energy: 2.0774338012473765
Energy: 2.140304555451422
Energy: 2.152327783948352
Energy: 1.929677056237195
Energy: 1.9897568430747699
Energy: 2.062574889062484
Energy: 2.0598059006726346
Energy: 2.0690309238006535
Energy: 2.077339237629096
Energy: 2.057920653518947
Energy: 2.057669671307949
Energy: 2.061323460066875
Energy: 2.099270462338642
Energy: 2.0924810802372527
Energy: 2.1316371437929806
Energy: 1.8958658926088368
Energy: 2.202069968295913
Energy: 2.0551892404150762
Energy: 2.1703165299566045
Energy: 2.093098433983932
Energy: 2.0163943973845915
Energy: 2.0294310607049857
Energy: 2.091235183960847
Energy: 2.2715490334176818
Energy: 2.0453875270224033
Energy: 1.9996254259373174
Energy: 2.1021497651137735
Energy: 1.9992846704342193
Energy: 2.023848399543928
Energy: 2.257742822646288
Energy: 2.092899368896861
Energy: 1.7557848890676808
Energy: 2.176632538175235
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minimum gb energy = 0.6152891542497952 eV
minimum distance =  2.55331922002124 Angstroms
sigma value = 105


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

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Energy: 1.7340984609984809
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Energy: 2.142490081796351
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Energy: 2.252618806264804
Energy: 2.2481073277319847
Energy: 2.2540611922961498
Energy: 2.316467819630932
Energy: 2.322643308248459

minimum gb energy = -0.11137711887078307 eV
minimum distance =  2.54181245771162 Angstroms
sigma value = 165


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

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Energy: 2.3683846440817984
Energy: 2.370224666594077
Energy: 2.3721489433089595
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Energy: 2.3682930788289025
Energy: 2.418400176548879
Energy: 2.3679830556053556
Energy: 2.369223223391839
Energy: 2.3604536973671317
Energy: 2.368300819717069
Energy: 2.3835426337072683
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Energy: 2.414306584250787
Energy: 2.369227094810915
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Energy: 2.3610885770267593
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Energy: 2.370201384839385
Energy: 2.367025458862022
Energy: 2.421922614885382
Energy: 2.3578413055744796
Energy: 2.3591032223660657
Energy: 2.420610046298224
Energy: 2.5364783292621476

minimum gb energy = 2.3578413055744796 eV
minimum distance =  2.52419147958302 Angstroms
sigma value = 41


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

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Energy: 1.9391850946616769
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Energy: 1.7332986660082093
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Energy: 1.681089598576493
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Energy: 1.600101209231575
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Energy: 1.6926434757143574
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Energy: 1.7485441013573106
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Energy: 1.7237440607136667
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Energy: 1.7892526747858786
Energy: 1.7428580404684357
Energy: 1.6121695974076053
Energy: 1.8804995636035229
Energy: 1.7826614806667076
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Energy: 1.6918411814842385
Energy: 1.731645385618435
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Energy: 1.6947888310413828
Energy: 1.6933400649570005
Energy: 1.6919658102296902
Energy: 1.7263336297754197
Energy: 1.7329923480176868
Energy: 1.723065752456917
Energy: 1.725745890129508
Energy: 1.9951774901878856
Energy: 1.8026962959030761
Energy: 2.022528078421596
Energy: 1.7515754271254667
Energy: 1.7226479703048143
Energy: 1.7231403726029535
Energy: 1.7207646897991569
Energy: 1.7336401942781074
Energy: 1.72048525237669
Energy: 1.7261186429399924
Energy: 1.8668898063839465
Energy: 1.7230637195213296
Energy: 1.9687709889724312
Energy: 1.7681586383635937
Energy: 1.7192548650902342
Energy: 1.8698420993790121
Energy: 1.7456240028160819
Energy: 1.7433058284442513
Energy: 1.7253941465129647
Energy: 1.723712703160714
Energy: 1.7226446044499113
Energy: 2.06037779130824
Energy: 1.7250134713087948
Energy: 1.7376253149705188
Energy: 1.7325229696413518
Energy: 1.7838054420719018
Energy: 1.746610153009122
Energy: 1.7344454392268467
Energy: 1.983085102344767
Energy: 1.7892675295961549
Energy: 1.8814033366540317
Energy: 1.4491866384390333
Energy: 1.7456956566578494
Energy: 1.7326384295900878
Energy: 1.7429910919534484
Energy: 1.8270348123242277
Energy: 1.9690437777217398

minimum gb energy = 1.4491866384390333 eV
minimum distance =  2.52435824312748 Angstroms
sigma value = 185


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

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Energy: 2.451157148775099
Energy: 2.498887008094116
Energy: 2.35139246829624
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Energy: 2.43325201832423
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Energy: 2.560395964044708
Energy: 2.443504341124501
Energy: 2.5555777233651353
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Energy: 2.4572308458563716
Energy: 2.4717493645331645
Energy: 2.3932051105769454
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Energy: 2.476326600723076
Energy: 2.428947627655061
Energy: 2.487713804481845
Energy: 2.388477541433983
Energy: 2.5714645393840634
Energy: 2.562909558419472
Energy: 2.465776236770386
Energy: 2.494471829018511
Energy: 2.494141889291245
Energy: 2.439446339236401
Energy: 2.5168779120090936
Energy: 2.06405400670942
Energy: 2.392320457153216
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Energy: 2.426781392929626
Energy: 2.493289875233459
Energy: 2.3807666915759924
Energy: 2.445781071593811
Energy: 2.412498759349544
Energy: 2.5468127355434467
Energy: 2.4600099152102506
Energy: 2.532226681463492
Energy: 2.5057000040497486
Energy: 2.461959731273104
Energy: 2.3458666444198935
Energy: 2.460307471108957
Energy: 2.413206552760488
Energy: 2.3669070115593134
Energy: 2.3396347835209816
Energy: 2.420752305479457
Energy: 2.354162840445807
Energy: 2.4097427529250814
Energy: 2.591762006192773
Energy: 2.4371106218361454
Energy: 2.4230279126550025
Energy: 2.4502626403097776
Energy: 2.477348777591252
Energy: 2.4618761302327514
Energy: 2.4447122812394766
Energy: 2.3865153624658526
Energy: 2.4224356873871695
Energy: 2.343747569859807
Energy: 2.4856931617399964
Energy: 2.597714895126967
Energy: 2.6156876968570084
Energy: 2.4877882247620247
Energy: 2.495641119342226
Energy: 2.5639292999775805
Energy: 2.5623664263933548
Energy: 2.3562696286604554
Energy: 2.3181247442587445
Energy: 2.3792013621313273
Energy: 2.3976607163187658
Energy: 2.42511037249064
Energy: 2.344684026888742
Energy: 2.411891141290578

minimum gb energy = 1.0356855861464476 eV
minimum distance =  2.49989096420854 Angstroms
sigma value = 33


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

Energy: 2.2955044852073643
Energy: 2.2696039946314066
Energy: 2.2467110334371916
Energy: 2.3459339286257452
Energy: 2.3514622684094126
Energy: 2.4754896994648825
Energy: 2.5372562762803086
Energy: 2.5349195840583696
Energy: 2.247634252781898
Energy: 2.285326124086505
Energy: 2.2921036604954756
Energy: 2.53560089768109
Energy: 2.387587719153529
Energy: 2.435845238862712
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Energy: 2.2964031998055283
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Energy: 2.320423110585891
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Energy: 2.2773604994345367
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Energy: 2.4417808369289937
Energy: 2.255042908080803
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Energy: 2.3797264711283903
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Energy: 2.2585528799394083
Energy: 2.6517635365554204
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Energy: 2.256363266142277
Energy: 2.257099744919809
Energy: 2.2552464697583754
Energy: 2.3189206089689423
Energy: 2.338459251689818
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Energy: 2.2447422120685
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Energy: 2.2569120701480103
Energy: 2.2848741048672543

minimum gb energy = 2.241816648047461 eV
minimum distance =  2.53841556227528 Angstroms
sigma value = 219


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

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Energy: 1.781317144763976
Energy: 1.6153401361374349
Energy: 1.6137556418013344
Energy: 1.785536598177205
Energy: 1.7700204246941653

minimum gb energy = 1.539296256288091 eV
minimum distance =  2.58634806047022 Angstroms
sigma value = 15


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

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minimum gb energy = 0.5017113892946014 eV
minimum distance =  2.49219985021786 Angstroms
sigma value = 293


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

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Energy: 2.5980607839394927
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Energy: 2.6357186678404805
Energy: 2.590424550448963
Energy: 2.73335104137441
Energy: 2.719798705387869
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Energy: 2.3476886198222764
Energy: 2.6823430853546637
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Energy: 2.6646780042867477
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Energy: 2.5423289811793532
Energy: 2.599527113305222
Energy: 2.6024067402595814
Energy: 2.7075690398090417
Energy: 2.620639790146743
Energy: 2.5660782398554094
Energy: 2.6122055292334823
Energy: 2.7460269969171316
Energy: 2.4448221248489177
Energy: 2.5436976400468563
Energy: 2.6963474537018266
Energy: 2.5185071893328685
Energy: 2.5983872801634975
Energy: 2.530532630981471
Energy: 2.6199337445336353
Energy: 2.634435590987779
Energy: 2.5711296150638137
Energy: 2.5779954213588474
Energy: 2.860005868461144
Energy: 2.575289510029631
Energy: 2.563335375132502
Energy: 2.595166580010794
Energy: 2.6039263141542124
Energy: 2.5441261385179814
Energy: 2.5360610097924896
Energy: 2.6334591762703385
Energy: 2.7110766548766625
Energy: 2.723719818585925
Energy: 2.7285700156191943
Energy: 2.731391978390253
Energy: 2.5826911050796824
Energy: 2.6177407666341614
Energy: 2.530125047671075
Energy: 2.535239694888919
Energy: 2.6859786891163746
Energy: 2.605835083053498
Energy: 2.435200929437482
Energy: 2.6578237658792068
Energy: 2.641771970313512
Energy: 2.7910702931032314

minimum gb energy = 2.3476886198222764 eV
minimum distance =  2.52229644496882 Angstroms
sigma value = 293


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

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Energy: 2.001224017149863
Energy: 2.206393378478728
Energy: 2.210396367585127
Energy: 1.9633648855714076
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Energy: 1.6681781965827998
Energy: 2.2891139120741912
Energy: 2.2560193541594096
Energy: 1.6979935172883602
Energy: 2.281017214938872
Energy: 2.0309518156126964
Energy: 2.012153466543591
Energy: 2.031044988718602
Energy: 2.1985909889163002
Energy: 2.770523164771988
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Energy: 1.968058061718126
Energy: 1.9775402992904685
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Energy: 2.2202290092581283
Energy: 1.959909663808838
Energy: 2.0121427031090744
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Energy: 2.2071931095754427
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Energy: 2.203146984741254
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Energy: 2.2208042137677046
Energy: 2.0077978441723277
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Energy: 2.0153493030067255
Energy: 2.2131260694462283
Energy: 2.2154657359112395
Energy: 1.9805590516116596
Energy: 1.955807971065654
Energy: 2.219315053093052
Energy: 2.2124146798068596
Energy: 1.9893065614217524
Energy: 2.3427235692330837
Energy: 2.34484596479042
Energy: 2.0119488200292355
Energy: 2.0282572687596714
Energy: 1.9828100152524386
Energy: 1.6466494786162202
Energy: 2.771031545557946
Energy: 1.953300224167974
Energy: 2.3396747996268306
Energy: 1.7318661590659652
Energy: 1.9574704414379862
Energy: 2.0095071594488485
Energy: 2.013576364558511
Energy: 2.2968828398464947
Energy: 2.2032100921110995
Energy: 1.6656234955183908
Energy: 1.9837770985235192
Energy: 2.2636596887614906
Energy: 1.9661764464710831
Energy: 2.27109490286382
Energy: 2.2017979292435337
Energy: 2.332106825762445
Energy: 2.0278643755901564
Energy: 2.01612037152945
Energy: 1.978349470525599
Energy: 2.1992939830927067
Energy: 2.257482963994682
Energy: 1.6692669648681462
Energy: 2.3342999532207775
Energy: 2.2673666866463833
Energy: 2.2064370942987943
Energy: 1.9562767487858759
Energy: 2.0047439100653754
Energy: 2.0154969512183456
Energy: 2.34527420997473
Energy: 2.2017707186608546
Energy: 1.98144854128192

minimum gb energy = 1.6443977545413602 eV
minimum distance =  2.62027904789438 Angstroms
sigma value = 15


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

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Energy: 1.9029042680692894
Energy: 1.9202197033411208
Energy: 1.925371375300097
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Energy: 1.9686886324890582
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Energy: 1.9142226822172144
Energy: 1.9344936245177626
Energy: 1.9119077692930433
Energy: 1.9171971511886563
Energy: 1.8918120637105804
Energy: 1.8741894244556099
Energy: 1.9091928605103328
Energy: 2.2382211478969496
Energy: 1.7103449632522838
Energy: 2.3064436538287576
Energy: 1.9788253673781067
Energy: 1.9574132765795667
Energy: 1.9119350288005657
Energy: 1.927148600250796
Energy: 1.8812307545707962
Energy: 1.8830395940671447
Energy: 1.9236983103797587
Energy: 2.1784963747907202
Energy: 2.308878530053353
Energy: 2.2284374879602336
Energy: 2.2502855157852535
Energy: 1.9241551245299302
Energy: 1.9086331429313803
Energy: 1.9198570812842022
Energy: 1.9181094884347167
Energy: 1.898797856429296
Energy: 1.749506123427921
Energy: 2.267668431745862
Energy: 2.272111981995033
Energy: 2.078556613609348
Energy: 2.1142572173119274
Energy: 1.933592024069563
Energy: 1.9130554570422014
Energy: 1.9178887951024934
Energy: 2.2694811927729934
Energy: 1.9285575516941422
Energy: 2.2161596142575335
Energy: 1.8985605823323952
Energy: 1.8873967876768387
Energy: 2.3160664498700583
Energy: 1.8499196584571134
Energy: 1.89396229001718
Energy: 2.1294838760563457
Energy: 1.9173751881010117
Energy: 2.1465101555184782
Energy: 2.0775932990096098
Energy: 2.233093263564848
Energy: 2.2327964737669084
Energy: 1.9317176596511365
Energy: 2.2407458263480424
Energy: 2.4076324714211697
Energy: 1.9937629084266735
Energy: 2.2694814195637227
Energy: 1.922487115579685
Energy: 2.1449220476123223
Energy: 2.3598584935817137
Energy: 2.217353500482964
Energy: 2.229982586715804
Energy: 2.0768419241629283
Energy: 2.120178584837025
Energy: 2.2577010335805587
Energy: 2.264347694115311
Energy: 2.234028119641405
Energy: 1.9528362208540806
Energy: 2.209004423514562
Energy: 2.186270332178732
Energy: 2.2372704498890363
Energy: 2.230864302167985
Energy: 1.905699276440305
Energy: 1.958807135230867
Energy: 2.243546626084498
Energy: 1.8697346594646216
Energy: 2.278910928975897
Energy: 2.2221719116377643
Energy: 2.137040645183566
Energy: 1.664657232203146
Energy: 1.9214267242147292
Energy: 2.232617329877517
Energy: 1.9363363782094298
Energy: 2.2430705105859534
Energy: 2.219241707702368
Energy: 2.1719570399272112
Energy: 2.2283421934605863
Energy: 2.236198088943636
Energy: 2.2515572929998977
Energy: 2.1840143971516546
Energy: 1.9319797281568436
Energy: 2.2870567274229816
Energy: 2.2393077647034776
Energy: 2.2185115655695347
Energy: 2.2403476807881604
Energy: 1.9256740288179852
Energy: 2.2210858988438833
Energy: 2.2144230224343886
Energy: 1.9144568447636403
Energy: 2.1254191727540133
Energy: 2.3062081043484786
Energy: 2.1304436202923327
Energy: 1.901765251883209
Energy: 2.028144691886405
Energy: 2.3019397815639766
Energy: 1.8854812717782772
Energy: 1.9237998871519206
Energy: 1.898214484986381
Energy: 2.2662892952876756
Energy: 1.9241354342010994
Energy: 1.9215350813074181
Energy: 1.8933428367201048
Energy: 1.9506008827564347
Energy: 2.114219846624704
Energy: 2.2912809910150864
Energy: 1.9153925981595852
Energy: 2.2666095720504753
Energy: 1.9401460597361593
Energy: 1.8884031018413865
Energy: 1.8849727056769308
Energy: 1.9257939872706027
Energy: 1.9182354088023414
Energy: 1.9241135183297808
Energy: 2.2513606404447284
Energy: 2.077209641078294
Energy: 1.8863777083548814
Energy: 1.911796951373206
Energy: 1.9366746350494042
Energy: 1.9113801431609072
Energy: 1.8841813846669293
Energy: 2.1170714702173576
Energy: 1.9124603070606667
Energy: 1.7702307574572658
Energy: 1.9762679222876278
Energy: 2.178401671442258
Energy: 2.014487680507017
Energy: 2.2473831329748806
Energy: 1.9240702307394537
Energy: 1.9006832648453487
Energy: 1.8932459022817452
Energy: 1.975630286674133
Energy: 1.9351384021125928
Energy: 1.9327659578084024
Energy: 1.9146802627343946
Energy: 1.905779950899071
Energy: 1.7915625993782112
Energy: 1.890603197018231
Energy: 1.9722321542971595
Energy: 1.9810323977705155
Energy: 1.8975670429658775
Energy: 2.022349907848469
Energy: 1.9363152111604818
Energy: 1.9177681306917973
Energy: 1.9431934308050989
Energy: 2.095924099244705
Energy: 2.2315063245877838
Energy: 2.2435412659873184
Energy: 2.149695545863696
Energy: 1.9543519744886697
Energy: 1.886531786386153
Energy: 1.8948363819887204
Energy: 1.9494864229976983
Energy: 1.9197988105907369
Energy: 1.9332135119384695
Energy: 2.3486255736977832
Energy: 2.278367261614142
Energy: 2.2534969266057536
Energy: 2.171263251247463
Energy: 1.9505139733801418
Energy: 1.9377712531895288
Energy: 1.9216307236434156
Energy: 1.9039416906162137
Energy: 2.2666349662331986
Energy: 2.0762518753297687
Energy: 2.068417727009772
Energy: 2.3822656114887475
Energy: 2.3849004881789253
Energy: 1.7715106239319516
Energy: 1.945714572116112
Energy: 1.9240323165906887
Energy: 2.2125421597647805
Energy: 2.3993823073491956
Energy: 1.9801984090430191
Energy: 2.341392266571278
Energy: 1.9643102785080968
Energy: 1.922822456104278
Energy: 2.2026861833302003
Energy: 1.9636733302819205
Energy: 2.390307451302489
Energy: 2.3781862411279455
Energy: 1.919024538994184
Energy: 2.210824282355547
Energy: 1.9187691114917962
Energy: 2.406112319019926
Energy: 2.4189242577806747
Energy: 2.0152962814824966
Energy: 2.1604454615413373
Energy: 1.9215631971712217
Energy: 1.9625711496820093
Energy: 2.3920963887108586
Energy: 2.010634305015774
Energy: 2.2291309467515417
Energy: 2.387610143833256
Energy: 2.3847046192144714
Energy: 2.395910743592107
Energy: 1.969452113467772
Energy: 2.1455473788516364
Energy: 1.9390572296038986
Energy: 1.8842133993576202
Energy: 1.8715102750790307
Energy: 2.3829674044869362
Energy: 1.9093501968716562
Energy: 1.924029992002631
Energy: 2.226116177492997
Energy: 1.930722254501653
Energy: 2.290003032119318
Energy: 2.0972960255052726
Energy: 2.3909398293019986
Energy: 2.0755438836431828
Energy: 1.9366659298154667
Energy: 1.9249287916446898
Energy: 1.7184516325619275
Energy: 1.8906772794292306
Energy: 1.8978193797738465
Energy: 1.9507673884242855
Energy: 2.1555890839056775
Energy: 2.3826646156435967
Energy: 2.2599241242369033
Energy: 2.4058344466598314
Energy: 1.9351230549041576
Energy: 1.9410338516441048
Energy: 1.9354448228013952
Energy: 2.028980759922461
Energy: 1.8985789930445012
Energy: 1.9667195342612234
Energy: 2.1598673164929734
Energy: 2.2188809316368574
Energy: 1.9475229359584398
Energy: 1.9183163263842606
Energy: 1.902905649935958
Energy: 1.9353647026180807
Energy: 1.9033587843393314
Energy: 1.9748769710889393
Energy: 1.9839991013185687
Energy: 1.894334682457781
Energy: 1.919199882711211
Energy: 1.7547346672456776

minimum gb energy = 1.664657232203146 eV
minimum distance =  2.58620696664555 Angstroms
sigma value = 437


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

Energy: 2.157235272773247
Energy: 1.995485905129778
Energy: 1.861531019099537
Energy: 1.8273233709538421
Energy: 1.8109849342494897
Energy: 2.297597734479398
Energy: 1.8413400876259645
Energy: 1.893303683576657
Energy: 1.8559692230142495
Energy: 1.9630445672361507
Energy: 2.014488048228847
Energy: 1.8887987074664079
Energy: 1.8271760381916426
Energy: 1.876600941992533
Energy: 1.862974325976619
Energy: 1.9932980669648779
Energy: 1.870263559824199
Energy: 1.8576686164889191
Energy: 2.21570323709846
Energy: 1.8482034071042943
Energy: 1.9487764933758434
Energy: 1.9913657369487612
Energy: 1.9042819569789384
Energy: 1.8323022791152654
Energy: 2.0037146523157303
Energy: 1.9957776346015168
Energy: 1.8594863010010168
Energy: 1.8617245509704132
Energy: 1.8896409308018598
Energy: 1.8571795456116373
Energy: 2.141411852339465
Energy: 1.868533485763922
Energy: 1.8957871007364007
Energy: 1.8715751221523977
Energy: 1.9844485909225984
Energy: 1.9951274612439713
Energy: 1.950582248729213
Energy: 2.0790208815036393
Energy: 1.828402618031273
Energy: 1.8475221143658174
Energy: 1.8662452265145797
Energy: 2.2067542362796524
Energy: 1.8809635202091024
Energy: 1.9739397292587828
Energy: 1.9934290833294754
Energy: 1.9903801041510598
Energy: 2.151691696802815
Energy: 1.8527087399428783
Energy: 1.8879254550109366
Energy: 1.891580242600766
Energy: 1.8747245845473635
Energy: 1.893121135859126
Energy: 1.8893619178806729
Energy: 2.0101104538494283
Energy: 1.956135877811083
Energy: 1.9910105206504607
Energy: 1.996949054680247
Energy: 2.0118048585307546
Energy: 1.8952237109670673
Energy: 1.8894419098608084
Energy: 2.153140732103865
Energy: 2.593126391971768
Energy: 2.000701861136973
Energy: 1.9912321043381902
Energy: 1.958900976864375
Energy: 2.2470925125666175
Energy: 1.9539951455642075
Energy: 1.8060075900091643
Energy: 1.889650440878405
Energy: 1.881218344657978
Energy: 2.1542352772569635
Energy: 1.8757536618036301
Energy: 1.8899363453922382
Energy: 1.9649968713081243
Energy: 2.2276583149543665
Energy: 2.6598801896959077
Energy: 1.9783937580382382
Energy: 1.9702335310548813
Energy: 2.2487442164710116
Energy: 2.601838282191365
Energy: 1.792633463986159
Energy: 1.8875772799277706
Energy: 2.2482325796946303
Energy: 2.131790249932054
Energy: 1.994242391134268
Energy: 2.0020013888409878
Energy: 1.944326895483594
Energy: 1.9961641958275123
Energy: 1.8841172056953739
Energy: 1.8907531523902743
Energy: 1.836125505782359
Energy: 1.895502741939327
Energy: 1.8950297245026264
Energy: 1.9383948089946401
Energy: 1.9979313605318838
Energy: 2.023127516685955
Energy: 2.0116865457921778
Energy: 2.003890961943104
Energy: 1.9854486896836427
Energy: 1.8015245903156232
Energy: 2.011230951700831
Energy: 1.895597380012423
Energy: 1.9481609014594727
Energy: 1.9646166727392143
Energy: 2.021925847580696
Energy: 1.9976174194376037
Energy: 1.9681492980437272
Energy: 1.8385441720557492
Energy: 2.1277558735317506
Energy: 2.014307561318974
Energy: 2.009636173215844
Energy: 1.8286166840720248
Energy: 1.8783978972321702
Energy: 1.8473512620993264
Energy: 1.9658741738434906
Energy: 2.0002485316687633
Energy: 1.9554739374110797
Energy: 1.8828020242197099
Energy: 1.8922048490948198
Energy: 1.978173738534456
Energy: 1.885103767737261
Energy: 1.902738364424941
Energy: 1.8668022485359201
Energy: 1.8474716420133546
Energy: 1.8852041721780537
Energy: 2.0038257714261074
Energy: 1.8966379829369644
Energy: 1.8827812480292765
Energy: 1.9273735136543124
Energy: 1.9841420401235634
Energy: 1.978982362044371
Energy: 1.8076694099043378
Energy: 1.862936937880679
Energy: 1.8419961990650504
Energy: 1.865040467366316
Energy: 2.220427386829725
Energy: 1.810562346359466
Energy: 1.8962929636790327
Energy: 2.0006639924144163
Energy: 2.141343250359637

minimum gb energy = 1.792633463986159 eV
minimum distance =  2.5616702547533 Angstroms
sigma value = 33