Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7089136413570798e-19, 2.3514505586564397e-19, 2.8382719288973397e-19, 3.2335449262714797e-19, 3.56495516301438e-19, 3.8515364975379595e-19, 4.10072302942398e-19, 4.3186350734143193e-19, 4.51022335530804e-19, 4.6790767507653e-19, 4.827838851232199e-19, 4.95870463869732e-19, 5.07375694278486e-19, 5.1752868760814395e-19, 5.26353476508216e-19, 5.339542024599119e-19, 5.40420587354736e-19, 5.45831137847754e-19, 5.50320436776222e-19, 5.53890086316774e-19, 5.565897539450639e-19, 5.5846590278347795e-19, 5.59564995954402e-19, 5.59923883520418e-19, 5.59581017720742e-19, 5.58393804834948e-19, 5.56194016316466e-19, 5.527974018523859e-19, 5.47981258890582e-19, 5.414924435228819e-19, 5.33050574838336e-19, 5.222166564392279e-19, 5.08510035335358e-19, 4.913715518814599e-19, 4.7027889649485e-19, 4.44128169474702e-19, 4.1178022323424195e-19, 3.7178348574306596e-19, 3.22274625575832e-19, 2.60941701849678e-19, 1.8465406142176798e-19, 8.908694890394579e-20, -3.1497831318459594e-20, -1.8480466602536398e-19, -3.82053437967006e-19, -6.391899703109339e-19, -9.79836755348844e-19, -1.440625959640512e-18, -2.07973742329638e-18, -2.9946443683757396e-18, -4.3578403356482994e-18, -6.5013604107442196e-18, -1.013230922931306e-17, -1.6990282115252998e-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: 0.013492681437680063
Energy: 0.14091995471688698
Energy: 1.2403682455404845
Energy: 0.01405363506021851
Energy: 0.14091995471629404
Energy: 1.3916332290334301
Energy: 0.014053635063288047
Energy: 1.3916332290309885
Energy: 1.2403682455392637
Energy: 0.014053635062695068
Energy: 0.013492681437680063
Energy: 0.1409199547150383
Energy: 0.014053635063288047
Energy: 1.3916332290334301
Energy: 0.14091995471444532
Energy: 1.3916332290334301

minimum gb energy = 0.013492681437680063 eV
minimum distance =  2.47367566503957 Angstroms
sigma value = 1


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

Energy: 2.1985202887796027
Energy: 1.2939089687970386
Energy: 1.2944204165716007
Energy: 1.225996496482821
Energy: 1.288962990604265
Energy: 1.3414892320428062
Energy: 1.2929888438334527
Energy: 1.341489232042045
Energy: 1.2915675168413
Energy: 1.2883931060426506
Energy: 1.293247114379738
Energy: 1.2883931060418894
Energy: 1.2878990190720783
Energy: 1.3021566630250059
Energy: 1.2884221038141381
Energy: 1.3021566630257673
Energy: 1.3553462690760099
Energy: 1.3038204919343972
Energy: 1.2895199400079072
Energy: 1.3038204919343972
Energy: 1.285840628745898
Energy: 1.4518951844448198
Energy: 1.2926412660566111
Energy: 1.4518951844448198
Energy: 1.2866983693137626
Energy: 1.4397140810853504
Energy: 1.3551471049536763
Energy: 1.439714081083066
Energy: 1.3572879007659833
Energy: 1.5069759072286952
Energy: 1.2938714146856942
Energy: 1.5069759072279338
Energy: 1.2885751366998204
Energy: 1.5050105116324624
Energy: 1.2877749441000907
Energy: 1.5050105116332235
Energy: 1.3578802661428182
Energy: 1.5037784062949187
Energy: 1.3588211609544223
Energy: 1.50377840629568
Energy: 1.3514452520220037
Energy: 1.504034035232488
Energy: 1.289239283454153
Energy: 1.504034035233249
Energy: 1.3570397777268122
Energy: 1.5025689279030665
Energy: 1.2939537869411364
Energy: 1.5025689279045893
Energy: 1.2861397240359502
Energy: 1.4527887094463372
Energy: 1.3540020930902885
Energy: 1.4527887094470986
Energy: 1.2862182987116169
Energy: 1.4413710143752385
Energy: 1.3548792883023708
Energy: 1.441371014377523
Energy: 1.3548006321181627
Energy: 1.2920060083905875
Energy: 1.2910993206783026
Energy: 1.2920060083982021
Energy: 1.2206545182972364
Energy: 1.306133227487177
Energy: 1.2888536957906405
Energy: 1.3061332274864152
Energy: 1.2883729542125713
Energy: 1.287248469385376
Energy: 1.219920805102239
Energy: 1.2872484693861372
Energy: 1.2885394979668303
Energy: 1.2921781227885172
Energy: 1.3541379319358187
Energy: 1.2921781227885172
Energy: 1.2926386411682318
Energy: 1.2919597845767024
Energy: 1.2919598669161678
Energy: 1.2919597845767024
Energy: 1.291697729409653
Energy: 1.2921286107423884
Energy: 1.286208795808782
Energy: 1.2921286107431502
Energy: 1.2907898880056992
Energy: 1.3096771260196747
Energy: 1.355516752587995
Energy: 1.3096771260189128
Energy: 1.2882239556337476
Energy: 1.2924902627556272
Energy: 1.2882225836960308
Energy: 1.2924902627563888
Energy: 1.355088589427263
Energy: 1.4423011015029759
Energy: 1.2858703156901823
Energy: 1.4423011015022142
Energy: 1.2931274520344282
Energy: 1.4355397305364914
Energy: 1.2867275784360874
Energy: 1.4355397305357298
Energy: 1.2878286044218474
Energy: 1.5050111685984584
Energy: 1.28844524168801
Energy: 1.5050111685969354
Energy: 1.292542432704081
Energy: 1.5027231734859372
Energy: 1.3593215300582389
Energy: 1.5027231734859372
Energy: 1.2952597323917738
Energy: 1.504092475900484
Energy: 1.3510278827147073
Energy: 1.5040924758989611
Energy: 1.2942319860844234
Energy: 1.5029121264720648
Energy: 1.3545156694807274
Energy: 1.5029121264713035
Energy: 1.3546705191529813
Energy: 1.4521981818171785
Energy: 1.285870687066473
Energy: 1.4521981818179401
Energy: 1.3555531799878577
Energy: 1.438408974187953
Energy: 1.2858772986185296
Energy: 1.4384089741864305
Energy: 1.3024605339187292
Energy: 1.2925103691445583
Energy: 1.3551841950131298
Energy: 1.29251036914532
Energy: 1.2887096741317283
Energy: 1.293236908935396
Energy: 1.2206108467095313
Energy: 1.2932369089369191
Energy: 1.2198049020207953
Energy: 1.2870293777538875
Energy: 1.2867868298931457
Energy: 1.2870293777523645

minimum gb energy = 1.2198049020207953 eV
minimum distance =  2.29546608934017 Angstroms
sigma value = 1


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

Energy: 1.5395272017147992
Energy: 1.3873894927339865
Energy: 1.3890631269999159
Energy: 1.3098645365069053
Energy: 1.3855589820690521
Energy: 1.4352244711335185
Energy: 1.3851548907362787
Energy: 1.435224471130914
Energy: 1.3805921685987612
Energy: 1.3808067443950802
Energy: 1.3867674882969498
Energy: 1.3808067444011574
Energy: 1.3798475560981007
Energy: 1.3811063326284676
Energy: 1.3856576931694211
Energy: 1.381106332631901
Energy: 1.3859267056575106
Energy: 1.3853952832999588
Energy: 1.3829809262393933
Energy: 1.3853952832765177
Energy: 1.3794895548427313
Energy: 1.5666010043962066
Energy: 1.3860206688077246
Energy: 1.5666010043962066
Energy: 1.3792346194940868
Energy: 1.5586125940103657
Energy: 1.3856134952852102
Energy: 1.5586125940077613
Energy: 1.3801977020921745
Energy: 1.5486395659843637
Energy: 1.3871948311799622
Energy: 1.5486395659843637
Energy: 1.3885121388490742
Energy: 1.6120678936199655
Energy: 1.3034532767672529
Energy: 1.612067893618229
Energy: 1.3867645225229004
Energy: 1.6109784729366634
Energy: 1.4592376719950586
Energy: 1.6109784729375318
Energy: 1.4533489444334158
Energy: 1.5701346353671057
Energy: 1.379207720749588
Energy: 1.5701346353679737
Energy: 1.4530567396893423
Energy: 1.5525135558947438
Energy: 1.3798044642781695
Energy: 1.5525135558921392
Energy: 1.3841008806804707
Energy: 1.4035811201689976
Energy: 1.4534358649194177
Energy: 1.4035811201689976
Energy: 1.3855688487565674
Energy: 1.3804723661079392
Energy: 1.303405754925265
Energy: 1.3804723661062028
Energy: 1.303067819878562
Energy: 1.3796008044907813
Energy: 1.381147095578022
Energy: 1.3796008044951222
Energy: 1.4539090338440384
Energy: 1.383310573597317
Energy: 1.3850914009670636
Energy: 1.3833105735964488
Energy: 1.3859462896331474
Energy: 1.379974357244255
Energy: 1.3866856754268402
Energy: 1.3799743572459915
Energy: 1.380786848107783
Energy: 1.3794547836777202
Energy: 1.3863555687423228
Energy: 1.3794547836829292
Energy: 1.385462208405134
Energy: 1.3813856189695468
Energy: 1.3841307346173701
Energy: 1.3813856189764924
Energy: 1.3789414936926343
Energy: 1.381756631021929
Energy: 1.3834162845133224
Energy: 1.381756631017588
Energy: 1.3788238867140141
Energy: 1.5540120526883852
Energy: 1.3872701321718266
Energy: 1.5540120526935943
Energy: 1.3799974614172863
Energy: 1.5537186534390663
Energy: 1.3855490890417819
Energy: 1.5537186534381981
Energy: 1.3877232467487943
Energy: 1.6123206486578443
Energy: 1.3054609014386593
Energy: 1.612320648656976
Energy: 1.3861596393992854
Energy: 1.6109610775353183
Energy: 1.383951080642248
Energy: 1.6109610775353183
Energy: 1.4526389555899744
Energy: 1.5700394902769639
Energy: 1.3790534893867392
Energy: 1.5700394902760957
Energy: 1.4539162021267769
Energy: 1.552964304109132
Energy: 1.3794302879353568
Energy: 1.5529643041021868
Energy: 1.3851456333010348
Energy: 1.3852402634317071
Energy: 1.4538034282782544
Energy: 1.3852402634325753
Energy: 1.385092767667522
Energy: 1.3848960065724387
Energy: 1.3034714962724319
Energy: 1.3848960065750433
Energy: 1.302970341049636
Energy: 1.3790582365335753
Energy: 1.379300487887804
Energy: 1.3790582365301027

minimum gb energy = 1.302970341049636 eV
minimum distance =  2.29546887139108 Angstroms
sigma value = 25


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

Energy: 1.6421765654687475
Energy: 1.4970029957637558
Energy: 1.4977266583703628
Energy: 1.4081429078055385
Energy: 1.4951747245400442
Energy: 1.542523201146817
Energy: 1.495590623689422
Energy: 1.5425232011478263
Energy: 1.4876136976035879
Energy: 1.4882229547787307
Energy: 1.4212473938297092
Energy: 1.4882229547787307
Energy: 1.4869772289376935
Energy: 1.4944469760151669
Energy: 1.4209180212429893
Energy: 1.4944469760181947
Energy: 1.4223010101441595
Energy: 1.519780934441148
Energy: 1.492985990492038
Energy: 1.5197809344421571
Energy: 1.402873610141763
Energy: 1.7041382302199881
Energy: 1.4229602150028098
Energy: 1.7041382302199881
Energy: 1.4866689078290387
Energy: 1.6870261650022844
Energy: 1.4855991932616144
Energy: 1.6870261650012752
Energy: 1.4868644365775268
Energy: 1.6803785079468696
Energy: 1.4210628745029925
Energy: 1.6803785079458602
Energy: 1.4870894294568895
Energy: 1.6827844580973608
Energy: 1.3996993390760857
Energy: 1.68278445809837
Energy: 1.4022406769960143
Energy: 1.7233502956395
Energy: 1.42118704935309
Energy: 1.7233502956405091
Energy: 1.398425847928277
Energy: 1.4939521568530565
Energy: 1.494550046010601
Energy: 1.493952156852047
Energy: 1.398375966273551
Energy: 1.4949119696295416
Energy: 1.4214973286052608
Energy: 1.4949119696295416
Energy: 1.4867115576755756
Energy: 1.486534247262626
Energy: 1.3986315305400863
Energy: 1.486534247262626
Energy: 1.4950863335214317
Energy: 1.402212352800055
Energy: 1.4887246447486255
Energy: 1.402212352800055
Energy: 1.4214836801201673
Energy: 1.4868902322877333
Energy: 1.4955645069075871
Energy: 1.4868902322877333
Energy: 1.4872375565366966
Energy: 1.4028583797751757
Energy: 1.4876226889944362
Energy: 1.4028583797751757
Energy: 1.4942235296721542
Energy: 1.4865420745202458
Energy: 1.420699510422746
Energy: 1.4865420745232736
Energy: 1.494735888690358
Energy: 1.4872135324787625
Energy: 1.4020729352234582
Energy: 1.4872135324797717
Energy: 1.4853754948566185
Energy: 1.6871464292681564
Energy: 1.4867173925739399
Energy: 1.6871464292691658
Energy: 1.4224469981227568
Energy: 1.7124759943534762
Energy: 1.4860064238866442
Energy: 1.7124759943524668
Energy: 1.4018850664598477
Energy: 1.7097733849042578
Energy: 1.4870522272451057
Energy: 1.7097733849042578
Energy: 1.3982598096678232
Energy: 1.7107311755888222
Energy: 1.403541825129655
Energy: 1.7107311755888222
Energy: 1.4946401151657045
Energy: 1.5201605991694611
Energy: 1.3983783733320148
Energy: 1.5201605991684517
Energy: 1.421918669238658
Energy: 1.5196785832755295
Energy: 1.3983342920874609
Energy: 1.5196785832755295
Energy: 1.3983918736546015
Energy: 1.486196785750906
Energy: 1.4868477689265682
Energy: 1.4861967857498968

minimum gb energy = 1.3982598096678232 eV
minimum distance =  2.29388151767979 Angstroms
sigma value = 9


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

Energy: 2.2242563720636412
Energy: 1.6090045976135245
Energy: 1.6239226174913632
Energy: 1.5193175939494423
Energy: 1.6225398684370784
Energy: 1.6622141665121837
Energy: 1.6225551105340914
Energy: 1.6622141665085715
Energy: 1.609128166789632
Energy: 1.609856955692434
Energy: 1.6233770865964214
Energy: 1.60985695569123
Energy: 1.608708612487643
Energy: 1.6635936921792236
Energy: 1.621944415526102
Energy: 1.6635936921804277
Energy: 1.618553487504064
Energy: 1.6230328124453313
Energy: 1.6211721062093165
Energy: 1.6230328124465352
Energy: 1.6085305928354645
Energy: 1.6094605751567004
Energy: 1.6225505953253956
Energy: 1.6094605751567004
Energy: 1.706695042038377
Energy: 1.871066023890359
Energy: 1.6220594274783506
Energy: 1.8710660238927668
Energy: 1.6223131547477383
Energy: 1.8391046500020625
Energy: 1.6235953316290879
Energy: 1.8391046500020625
Energy: 1.6226480719834313
Energy: 1.660947934330083
Energy: 1.5044716507169487
Energy: 1.6609479343276752
Energy: 1.6223141504227951
Energy: 1.6229129675230503
Energy: 1.5042262332100214
Energy: 1.6229129675230503
Energy: 1.5040016807331276
Energy: 1.608830120684037
Energy: 1.6086824744953194
Energy: 1.608830120684037
Energy: 1.7108826733806874
Energy: 1.6086345129428954
Energy: 1.622323963774201
Energy: 1.6086345129440993
Energy: 1.62283756330657
Energy: 1.6089902258644995
Energy: 1.6234026529565067
Energy: 1.6089902258657036
Energy: 1.6086052573381835
Energy: 1.6080164220150561
Energy: 1.609788703369963
Energy: 1.6080164220150561
Energy: 1.6186366779617687
Energy: 1.6073027882465645
Energy: 1.6221361312989409
Energy: 1.6073027882465645
Energy: 1.6085057170179595
Energy: 1.7149623357806203
Energy: 1.6214437928554122
Energy: 1.7149623357794164
Energy: 1.70669534050983
Energy: 1.8750263293998264
Energy: 1.6221500932562485
Energy: 1.8750263293986222
Energy: 1.706346485059435
Energy: 1.8755066787337205
Energy: 1.6225211879781671
Energy: 1.8755066787313128
Energy: 1.6229471659438781
Energy: 1.6249632304179786
Energy: 1.5042217630206682
Energy: 1.624963230475742
Energy: 1.6223215799739008
Energy: 1.6229257002556488
Energy: 1.5042937352751482
Energy: 1.6229257002556488
Energy: 1.503423121201071
Energy: 1.6090075702275204
Energy: 1.608091492482534
Energy: 1.609007570228724

minimum gb energy = 1.503423121201071 eV
minimum distance =  2.29059350335052 Angstroms
sigma value = 25


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

Energy: 2.0004761267331532
Energy: 1.777294357999257
Energy: 1.7769079477432301
Energy: 1.6389076760450854
Energy: 1.767612361835702
Energy: 1.7394195069232088
Energy: 1.7678546184376647
Energy: 1.7394195069217198
Energy: 1.752978728175487
Energy: 1.7539947623531527
Energy: 1.7671378150105994
Energy: 1.7539947623531527
Energy: 1.7520494935785735
Energy: 1.7405165440557646
Energy: 1.663812600870688
Energy: 1.7405165440587422
Energy: 1.6575840827842674
Energy: 1.843196840606629
Energy: 1.6660035886704774
Energy: 1.8431968406051404
Energy: 1.6284619233170265
Energy: 1.86220078762982
Energy: 1.6613785392650513
Energy: 1.86220078762982
Energy: 1.6228197983051982
Energy: 1.8454326844445736
Energy: 1.663805729178117
Energy: 1.8454326844430846
Energy: 1.6223127214870856
Energy: 1.7424837589190834
Energy: 1.6635989810555367
Energy: 1.7424837589190834
Energy: 1.7515585451313378
Energy: 1.7516175679664696
Energy: 1.8694581422449905
Energy: 1.7516175679664696
Energy: 1.7682999870355467
Energy: 1.6300098211068181
Energy: 1.8657150546942702
Energy: 1.6300098211068181
Energy: 1.7668596087250534
Energy: 1.752134938584349
Energy: 1.7675126314228424
Energy: 1.75213493858286
Energy: 1.7512501199193158
Energy: 1.6312001599215953
Energy: 1.752176195503462
Energy: 1.6312001599245733
Energy: 1.6620843742074498
Energy: 1.8626719318021927
Energy: 1.6578434527812176
Energy: 1.8626719318021927
Energy: 1.663653140713915
Energy: 1.857320787497158
Energy: 1.6302499323765987
Energy: 1.8573207874986468
Energy: 1.6634762054410994
Energy: 1.8458199403113245
Energy: 1.6226569365289545
Energy: 1.8458199403113245
Energy: 1.6628320999998916
Energy: 1.846550536810924
Energy: 1.6229272165727264
Energy: 1.846550536810924
Energy: 1.8671383393693057
Energy: 1.7511590482096826
Energy: 1.7501027705735985
Energy: 1.7511590482081933

minimum gb energy = 1.6223127214870856 eV
minimum distance =  2.28967272619171 Angstroms
sigma value = 17


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

Energy: 2.635381593483527
Energy: 1.9210112116885774
Energy: 1.9224996128733658
Energy: 1.8133442581548955
Energy: 1.6978906746811044
Energy: 1.6975436213635047
Energy: 1.830632763292964
Energy: 1.6975436213618185
Energy: 1.7367415322977697
Energy: 1.7367302645847775
Energy: 1.9070193763784535
Energy: 1.7367302645847775
Energy: 1.7368489360075356
Energy: 1.8757503565816664
Energy: 1.735315534668301
Energy: 1.8757503565791365
Energy: 1.7372375742000148
Energy: 1.8254836825304919
Energy: 1.6718602420933362
Energy: 1.825483682529649
Energy: 1.736166362560865
Energy: 1.762963888370153
Energy: 1.7366175229169312
Energy: 1.7629638883693097
Energy: 1.7955135116944474
Energy: 1.7348138587835489
Energy: 1.7379909252622783
Energy: 1.7348138587827058
Energy: 1.9728351400552662
Energy: 1.7344118870682332
Energy: 1.701155909437575
Energy: 1.7344118870690766
Energy: 1.9071840653061707
Energy: 1.8874342956598922
Energy: 1.8898069972245246
Energy: 1.8874342956598922
Energy: 1.8874967063493586
Energy: 1.8874769421603252
Energy: 1.8302941004533022
Energy: 1.8874769421586386
Energy: 1.7342619501778347
Energy: 1.6750542595153466
Energy: 1.695054761970936
Energy: 1.6750542595237792
Energy: 1.8876649535244572
Energy: 1.6982324494401042
Energy: 1.7012747005543445
Energy: 1.6982324494401042
Energy: 1.7959197078691522
Energy: 1.6980239763669476
Energy: 1.6998404863630814
Energy: 1.6980239763669476
Energy: 1.7962534073999215
Energy: 1.6988355369511832
Energy: 1.6966824390792699
Energy: 1.6988355369545562
Energy: 1.8866594216599604
Energy: 1.8861845991725574
Energy: 1.9752884670865003
Energy: 1.8861845991742443
Energy: 1.9036090380701935
Energy: 1.8865134088114144
Energy: 1.9759651091818031
Energy: 1.886513408809728
Energy: 1.8884393286383994
Energy: 1.7349503723921302
Energy: 1.7374078652116247
Energy: 1.7349503723938167
Energy: 1.8882714016231181
Energy: 1.7348130812091147
Energy: 1.7342857227602566
Energy: 1.7348130812091147
Energy: 1.7358942950274552
Energy: 1.8259317693101902
Energy: 1.7380671468186075
Energy: 1.8259317693076604
Energy: 1.6727526535222093
Energy: 1.7623923329660351
Energy: 1.7377383917721922
Energy: 1.7623923329803706
Energy: 1.7356131749639698
Energy: 1.7363197964540975
Energy: 1.9727924400842807
Energy: 1.7363197964540975
Energy: 1.7374623076923512
Energy: 1.7517653838059635
Energy: 1.7961794049584294
Energy: 1.7517653838034335
Energy: 1.8289209677836087
Energy: 1.8876712781531473
Energy: 1.8286651886822989
Energy: 1.887671278152304
Energy: 1.906172748772401
Energy: 1.8874035921813472
Energy: 1.887435039467226
Energy: 1.8874035921821903
Energy: 1.6978216165808795
Energy: 1.6980168256781623
Energy: 1.8876116641298613
Energy: 1.698016825677319
Energy: 1.7017657957781718
Energy: 1.6984331745470655
Energy: 1.7350578977132647
Energy: 1.6984331745462222
Energy: 1.6942531454822507
Energy: 1.6984531208605962
Energy: 1.798432238648978
Energy: 1.698453120859753
Energy: 1.7003686490158776
Energy: 1.6980256415612904
Energy: 1.7973663908319184
Energy: 1.6980256415596038
Energy: 1.6976940963625429
Energy: 1.6977369862387663
Energy: 1.7960594339871165
Energy: 1.6977369862396092
Energy: 1.979428818993567
Energy: 1.8877268503904696
Energy: 1.8865651269460808
Energy: 1.8877268503904696

minimum gb energy = 1.6718602420933362 eV
minimum distance =  2.29445796404604 Angstroms
sigma value = 53


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

Energy: 2.428101531836262
Energy: 1.8312726306787512
Energy: 1.8350201708048566
Energy: 1.6593397463504616
Energy: 1.8282841129011986
Energy: 1.7456378642870405
Energy: 1.829874291887612
Energy: 1.7456378642889816
Energy: 1.8300232758956256
Energy: 1.8298587283799974
Energy: 1.8430561055263386
Energy: 1.8298587283799974
Energy: 1.829821906812479
Energy: 1.7490945770300956
Energy: 1.8273684353974122
Energy: 1.7490945770281543
Energy: 1.8520188454409392
Energy: 1.7479315212489324
Energy: 1.6477185369463339
Energy: 1.7479315212508737
Energy: 1.8272656215816323
Energy: 1.7517214548426328
Energy: 1.649729209121849
Energy: 1.7517214548426328
Energy: 1.9927141820653143
Energy: 1.8291971258233775
Energy: 1.8299536928869058
Energy: 1.8291971258272601
Energy: 1.9924498195888918
Energy: 1.8274956100466266
Energy: 1.825319253209346
Energy: 1.8274956100466266
Energy: 1.8327797560661747
Energy: 1.831397084749905
Energy: 1.8463560756992508
Energy: 1.831397084749905
Energy: 1.8269113149413716
Energy: 1.8288442195169465
Energy: 1.8319003365438435
Energy: 1.8288442195188879
Energy: 1.8498147189416863
Energy: 1.7551969666580705
Energy: 1.6491859762703465
Energy: 1.7551969666600118
Energy: 1.831512963078946
Energy: 1.747257753290087
Energy: 1.6451754290289882
Energy: 1.747257753290087
Energy: 1.9925386901903492
Energy: 1.827644448206008
Energy: 1.8245366857053598
Energy: 1.8276444482079492

minimum gb energy = 1.6451754290289882 eV
minimum distance =  2.2833780898033 Angstroms
sigma value = 9


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

Energy: 2.3279684433688854
Energy: 1.9511387247075633
Energy: 2.0267880825384856
Energy: 1.859270245375888
Energy: 1.7346795292260115
Energy: 1.732369811053547
Energy: 1.9637087398407498
Energy: 1.7323698110557026
Energy: 1.7270431795954242
Energy: 1.7283094944048987
Energy: 1.9430722428982374
Energy: 1.7283094944041801
Energy: 1.7359468847388082
Energy: 1.733193256308916
Energy: 2.0484375184504366
Energy: 1.7331932563067602
Energy: 1.7336805810876679
Energy: 1.7321035848112998
Energy: 2.0449273785719204
Energy: 1.7321035848127369
Energy: 1.7324284476692993
Energy: 1.7325173036872723
Energy: 2.0454287318439146
Energy: 1.7325173036851167
Energy: 1.97884146398792
Energy: 1.9443442101267847
Energy: 1.9653527977608223
Energy: 1.9443442101275032
Energy: 1.9636912747060007
Energy: 1.9436283074661973
Energy: 1.944690555301193
Energy: 1.9436283074676344
Energy: 1.7822140849815788
Energy: 1.8569086974275089
Energy: 1.80616262315109
Energy: 1.8569086974282274
Energy: 1.7451262255755673
Energy: 1.81144969813088
Energy: 1.9476211036696396
Energy: 1.8114496981287247
Energy: 1.7775554487741285
Energy: 1.7776846240515618
Energy: 1.9136883690971873
Energy: 1.7776846240501247
Energy: 1.804399084289599
Energy: 1.7806363673136718
Energy: 2.046038459191322
Energy: 1.780636367312953
Energy: 1.9626567553564394
Energy: 1.7781116806361987
Energy: 1.8136518821834218
Energy: 1.7781116806369173
Energy: 1.9795326759961978
Energy: 1.7791882261742027
Energy: 1.781035205946374
Energy: 1.7791882261770766
Energy: 1.9430223142969516
Energy: 1.7825128453026435
Energy: 1.783285218129094
Energy: 1.7825128453019248
Energy: 1.8400907191140636
Energy: 1.8804624006054274
Energy: 1.783678380610599
Energy: 1.8804624006047088
Energy: 1.9490023551000686
Energy: 1.8691987175482683
Energy: 1.7829323670326485
Energy: 1.8691987175468312
Energy: 1.9433438252303485
Energy: 1.9462529426455106
Energy: 2.0478347789003606
Energy: 1.9462529426455106
Energy: 1.9637502123023909
Energy: 1.9818119350794494
Energy: 1.7969758203330763
Energy: 1.981811935078731
Energy: 1.9436077278088657
Energy: 1.7276962224383057
Energy: 1.7270790441008381
Energy: 1.7276962224368686
Energy: 2.049659822685275
Energy: 1.7331749813123174
Energy: 1.7347062344323934
Energy: 1.7331749813123174
Energy: 2.045189992288205
Energy: 1.7316894861083534
Energy: 1.7323592953736058
Energy: 1.7316894861062304
Energy: 2.0452915965259324
Energy: 1.73318259876914
Energy: 1.7323950162753603
Energy: 1.7331825987684215
Energy: 1.9665519850040187
Energy: 1.9440503360867216
Energy: 1.9643052671276022
Energy: 1.9440503360852845
Energy: 1.9454794312926968
Energy: 1.943629836797273
Energy: 1.9642131929011446
Energy: 1.943629836797273
Energy: 1.8036885418567892
Energy: 1.8765872287165035
Energy: 1.7801696360857269
Energy: 1.8765872287157848
Energy: 1.9444010837083037
Energy: 1.8095555920849073
Energy: 1.74488736119224
Energy: 1.8095555920849073
Energy: 1.9112989776178373
Energy: 1.7783829126924269
Energy: 1.7785176298864271
Energy: 1.7783829126931452
Energy: 2.045533027255442
Energy: 1.7819685457882217
Energy: 1.7847352379151173
Energy: 1.78196854578894
Energy: 1.8149931302733358
Energy: 1.7784188865409427
Energy: 1.9622876278710053
Energy: 1.7784188865402242
Energy: 1.7822426557351712
Energy: 1.780259988454791
Energy: 1.943829035580569
Energy: 1.7802599884540724
Energy: 1.7816666669828303
Energy: 1.783672511148782
Energy: 1.943600926536772
Energy: 1.7836725111509377
Energy: 1.8033913988571693
Energy: 1.9802431655066535
Energy: 1.8391666420006703
Energy: 1.9802431655066535
Energy: 1.7809883046229664
Energy: 1.8716062209866742
Energy: 1.8454209154330385
Energy: 1.871606220987393
Energy: 2.0478337289940223
Energy: 1.9453395354436986
Energy: 1.9432781089229916
Energy: 1.9453395354422616

minimum gb energy = 1.7270431795954242 eV
minimum distance =  2.26536524684714 Angstroms
sigma value = 73


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

Energy: 2.56869478737023
Energy: 1.8720417024737424
Energy: 1.8736702788262198
Energy: 1.8010593718742407
Energy: 1.755328491770096
Energy: 1.7486996082386104
Energy: 1.9011725170746816
Energy: 1.7486996082374704
Energy: 1.7432072412576736
Energy: 1.7440018043158096
Energy: 1.9266650111580148
Energy: 1.7440018043158096
Energy: 1.7459000432276568
Energy: 1.7466231395702623
Energy: 2.022898588407116
Energy: 1.7466231395725422
Energy: 1.7501017930906897
Energy: 1.7504185448198477
Energy: 2.012513542312514
Energy: 1.7504185448187077
Energy: 1.8215483251447089
Energy: 1.751168186618858
Energy: 1.9893332275416404
Energy: 1.751168186618858
Energy: 2.012712000726766
Energy: 1.933117746079023
Energy: 1.956547337682858
Energy: 1.933117746080163
Energy: 1.8590817435053932
Energy: 1.9302464059995426
Energy: 1.9300940473841564
Energy: 1.9302464059984026
Energy: 1.8163968970582463
Energy: 1.9308516036387444
Energy: 1.9317005459440253
Energy: 1.9308516036398846
Energy: 1.775768171143398
Energy: 1.7116864248954162
Energy: 1.9342126402472528
Energy: 1.7116864248954162
Energy: 1.8412297187564306
Energy: 1.7078653982947287
Energy: 1.9330231073031803
Energy: 1.7078653982947287
Energy: 1.8170199475366593
Energy: 1.7148684397216072
Energy: 2.011553004409411
Energy: 1.7148684397227472
Energy: 1.9271158368613155
Energy: 1.8238230464627816
Energy: 1.8051226711430035
Energy: 1.8238230464650618
Energy: 1.9272075091087513
Energy: 1.7951053622152584
Energy: 1.7921104408629922
Energy: 1.7951053622152584
Energy: 1.9692727308917193
Energy: 1.7935316438669504
Energy: 1.7925406186498944
Energy: 1.7935316438680902
Energy: 2.0079628524354463
Energy: 1.7945664974781168
Energy: 1.7927661203539196
Energy: 1.794566497480397
Energy: 1.9886442716285697
Energy: 1.803554924803801
Energy: 1.7926441529406247
Energy: 1.8035549248026612
Energy: 1.9084219152437814
Energy: 1.9906274629384557
Energy: 2.011392903852273
Energy: 1.9906274629350356
Energy: 1.8825100877710952
Energy: 1.883823266403344
Energy: 1.8601225672432715
Energy: 1.8838232664022043
Energy: 1.8822227941026195
Energy: 1.863193894965205
Energy: 1.8731598968391434
Energy: 1.863193894965205
Energy: 1.8821642244138233
Energy: 1.8676803000710218
Energy: 1.7777228727015648
Energy: 1.8676803000698818
Energy: 1.991146595501977
Energy: 1.8716139562049765
Energy: 1.872820639659725
Energy: 1.8716139562026963

minimum gb energy = 1.7078653982947287 eV
minimum distance =  2.25196891469089 Angstroms
sigma value = 7


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

Energy: 1.9925425467332174
Energy: 1.8601705110437146
Energy: 1.8595795675650555
Energy: 1.7547206958433106
Energy: 1.7395751256773742
Energy: 1.858149674596029
Energy: 1.8822731490062605
Energy: 1.858149674591999
Energy: 1.7374821424527476
Energy: 1.740150838957642
Energy: 1.8574609279117884
Energy: 1.7401508389560298
Energy: 1.7421484847660962
Energy: 1.743699338234128
Energy: 2.069979041711214
Energy: 1.74369933823574
Energy: 1.7391741493787913
Energy: 1.7371540183175755
Energy: 1.9730536415479611
Energy: 1.7371540183256364
Energy: 1.7606225594245624
Energy: 1.7378259735089236
Energy: 1.9729482998733998
Energy: 1.737825973515373
Energy: 1.9613731763228672
Energy: 1.7383404079305635
Energy: 1.7599972704912172
Energy: 1.7383404079337879
Energy: 1.880649754013019
Energy: 1.7372992934113392
Energy: 1.7384067234532998
Energy: 1.7372992934056963
Energy: 1.9618255428006717
Energy: 1.7579329256350809
Energy: 1.7601486592298288
Energy: 1.7579329256334688
Energy: 1.9738164826670495
Energy: 1.9954603280599288
Energy: 1.738768764976783
Energy: 1.9954603280591225
Energy: 1.8869216715048527
Energy: 1.856669014078283
Energy: 1.8665278326160153
Energy: 1.8566690140734463
Energy: 1.8596528468818967
Energy: 1.8610851933743195
Energy: 1.9625756188944419
Energy: 1.8610851933815744
Energy: 1.8615707646940436
Energy: 1.8612306459721404
Energy: 1.8615975193821048
Energy: 1.8612306459793952
Energy: 1.8605848802355287
Energy: 1.8343089364219385
Energy: 1.7398869210716101
Energy: 1.8343089364291933
Energy: 1.8592772638146864
Energy: 1.8617413355993468
Energy: 1.7408401770930064
Energy: 1.8617413355953163
Energy: 1.9486256088603189
Energy: 1.8606645677457463
Energy: 1.8586528219195677
Energy: 1.8606645677457463
Energy: 1.8712642670885251
Energy: 1.856327182394922
Energy: 1.882420876555046
Energy: 1.8563271823828305
Energy: 1.7384693384297225
Energy: 1.9459996335658942
Energy: 1.8582864368234866
Energy: 1.945999633570731
Energy: 1.7543670350629488
Energy: 1.7574563653892452
Energy: 1.9618648203583613
Energy: 1.7574563653924695
Energy: 1.7379258828204973
Energy: 1.7373512270438103
Energy: 1.9493362711203368
Energy: 1.737351227049453
Energy: 1.759056729553063
Energy: 1.7384200990230871
Energy: 1.9732927910076123
Energy: 1.7384200990246992
Energy: 1.964750747724696
Energy: 1.7375562602089691
Energy: 1.7603650909835344
Energy: 1.7375562602057446
Energy: 1.9663650739995095
Energy: 1.7371958009612911
Energy: 1.7361127493095334
Energy: 1.7371958009580664
Energy: 1.9623992317672234
Energy: 1.743908880085863
Energy: 1.7426703606858795
Energy: 1.7439088800890874
Energy: 1.973822086565148
Energy: 1.7400079976272853
Energy: 1.7373533998557427
Energy: 1.740007997623255
Energy: 1.9753513424143634
Energy: 1.8579504582816533
Energy: 1.7398107722681408
Energy: 1.857950458280847
Energy: 1.8590221188439342
Energy: 1.8629638836669624
Energy: 2.607159224301127
Energy: 1.8629638836621258
Energy: 1.8564223294191553
Energy: 1.8589909966166551
Energy: 1.8580205457385799
Energy: 1.8589909966166551
Energy: 1.8616356143238586
Energy: 1.8362546076259738
Energy: 1.8615814186588995
Energy: 1.8362546076251676
Energy: 1.8567279634252136
Energy: 1.8593055939281726
Energy: 1.7396988888388267
Energy: 1.8593055939346212
Energy: 1.9515416747999823
Energy: 1.8572928912726163
Energy: 1.8620044717685438
Energy: 1.8572928912766467

minimum gb energy = 1.7361127493095334 eV
minimum distance =  2.25732645782622 Angstroms
sigma value = 29


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

Energy: 1.6882793446469675
Energy: 1.783899565597673
Energy: 1.6942642497816875
Energy: 1.688402766451968
Energy: 1.6872509658780412
Energy: 1.786362470534777
Energy: 1.6962998545504564
Energy: 1.7863624705361498
Energy: 1.6876400061166743
Energy: 1.7983114166756238
Energy: 1.6765431394543877
Energy: 1.7983114166756238
Energy: 1.6740862155117833
Energy: 1.6865790384875665
Energy: 1.6858511080304799
Energy: 1.6865790384867552
Energy: 1.6853999872943346
Energy: 1.6875356497992422
Energy: 1.674870595979456
Energy: 1.6875356497989615
Energy: 1.6853205920164542
Energy: 1.7907467403314046
Energy: 1.675246835907264
Energy: 1.7907467403308428
Energy: 1.6765397468878727
Energy: 1.7975660151091186
Energy: 1.6863269037750428
Energy: 1.7975660151093993
Energy: 1.690535616998609
Energy: 1.689261807753057
Energy: 1.6714532518303622
Energy: 1.6892618077522144
Energy: 1.6710188039497837
Energy: 1.6905707033408592
Energy: 1.691338803883071
Energy: 1.6905707033402977

minimum gb energy = 1.6710188039497837 eV
minimum distance =  2.25957570403393 Angstroms
sigma value = 5


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

Energy: 2.072319401285248
Energy: 1.596512136597479
Energy: 1.873222907483937
Energy: 1.5727564763974993
Energy: 1.8983561395337156
Energy: 1.5921593251685686
Energy: 1.9050697272976778
Energy: 1.5921593251716142
Energy: 1.9045220579561852
Energy: 1.7058919397386854
Energy: 1.908884857477584
Energy: 1.705891939736401
Energy: 1.7693340420559036
Energy: 1.8551442140444996
Energy: 1.8974374313461972
Energy: 1.8551442140483068
Energy: 1.7460869847660265
Energy: 1.592694251841577
Energy: 1.7688754438753334
Energy: 1.5926942518408158
Energy: 1.5938556841157252
Energy: 1.592411865578855
Energy: 1.7720071167597438
Energy: 1.5924118655773318
Energy: 1.5925885346981021
Energy: 1.5926944004936165
Energy: 1.8981351692473658
Energy: 1.5926944004951396
Energy: 1.5938581680451096
Energy: 1.5936773966872928
Energy: 2.0267080255439556
Energy: 1.5936773966918616
Energy: 1.8662896030195164
Energy: 1.6337096182659039
Energy: 2.0331075710874624
Energy: 1.6337096182628579
Energy: 2.0232479413316455
Energy: 1.569813902400316
Energy: 1.5709780423670052
Energy: 1.5698139023980315
Energy: 1.8647374149237044
Energy: 1.566271794602627
Energy: 1.566018410672041
Energy: 1.5662717946011042
Energy: 2.0247986805193157
Energy: 1.5679541313512189
Energy: 1.5679037712158004
Energy: 1.5679541313489347
Energy: 2.025113336870708
Energy: 1.5670006079203729
Energy: 1.5902478605704347
Energy: 1.5670006079150427
Energy: 1.7059591232528706
Energy: 1.6466517648218222
Energy: 2.022581424117631
Energy: 1.6466517648210606
Energy: 1.7116318552938525
Energy: 1.5519521110489465
Energy: 2.0228846427391587
Energy: 1.551952111048185
Energy: 1.7091548623484774
Energy: 1.5487259094666386
Energy: 1.6255338118548037
Energy: 1.5487259094628312
Energy: 1.7059295684367446
Energy: 1.5533108229316668
Energy: 1.624297860635123
Energy: 1.553310822932428
Energy: 2.0123974412884205
Energy: 1.5484109201800895
Energy: 1.626418168995424
Energy: 1.5484109201816127
Energy: 2.0061307214498565
Energy: 1.6666209671755414
Energy: 1.6266754217664177
Energy: 1.6666209671785874
Energy: 2.0073045497579063
Energy: 1.60590552456489
Energy: 1.7715801388120658
Energy: 1.605905524561083
Energy: 1.7704408541390806
Energy: 1.6042721083710207
Energy: 1.6254550921926525
Energy: 1.6042721083710207
Energy: 1.769680569359062
Energy: 1.603430699413964
Energy: 1.604435062291669
Energy: 1.603430699412441
Energy: 2.1274275692861275
Energy: 1.603444338693123
Energy: 1.6032722526020138
Energy: 1.6034443386908386
Energy: 2.0265939455571393
Energy: 1.6058272671856941
Energy: 1.606001848059733
Energy: 1.6058272671887053
Energy: 2.0361006479571673
Energy: 1.5593633407064407
Energy: 1.6308754539876844
Energy: 1.5593633407376257
Energy: 1.5589841654037657
Energy: 1.5575692123511833
Energy: 2.0232088362915657
Energy: 1.5575692123527063
Energy: 1.5562215203107286
Energy: 1.556139088893461
Energy: 1.6312879961284883
Energy: 1.5561390888911764
Energy: 1.5564532060537746
Energy: 1.5562819953601932
Energy: 1.7367568677897625
Energy: 1.556281995357909
Energy: 1.7034868176151612
Energy: 1.5569537827934135
Energy: 2.0253894098011065
Energy: 1.556953782795698
Energy: 2.022677857882738
Energy: 1.6315458584362663
Energy: 1.6312622003337738
Energy: 1.6315458584385507
Energy: 2.0222293919251584
Energy: 1.5920427188724193
Energy: 1.5924625081628259
Energy: 1.592042718876988
Energy: 1.8976444542070816
Energy: 1.5916392038561056
Energy: 1.591631794277404
Energy: 1.5916392038545828
Energy: 1.6080774321151137
Energy: 1.5926813877623176
Energy: 1.5938072656703575
Energy: 1.5926813877653636

minimum gb energy = 1.5484109201800895 eV
minimum distance =  2.24197848935328 Angstroms
sigma value = 1


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

Energy: 2.369636932293503
Energy: 1.502087950837227
Energy: 1.7952143124305078
Energy: 1.4568618835966882
Energy: 1.5031439108720794
Energy: 1.5017826462561297
Energy: 1.9322696629990832
Energy: 1.5017826462561297
Energy: 1.9337157337711857
Energy: 1.6490985060416823
Energy: 1.9390148645496694
Energy: 1.6490985060416823
Energy: 1.5400250248572407
Energy: 1.6498722579407687
Energy: 1.923866583446228
Energy: 1.6498722579386629
Energy: 1.501282498235689
Energy: 1.499632213168093
Energy: 1.932434414656365
Energy: 1.4996322131691457
Energy: 1.4987696329080105
Energy: 1.5001520833729076
Energy: 1.9310664043703392
Energy: 1.5001520833729076
Energy: 1.4975104919705027
Energy: 1.4989851157255596
Energy: 1.9250134978279794
Energy: 1.4989851157245069
Energy: 1.5018433281948294
Energy: 1.5028190019872898
Energy: 2.2977381080205723
Energy: 1.5028190019841314
Energy: 1.9285527616833706
Energy: 1.5617907418883707
Energy: 2.2982245870611573
Energy: 1.5617907418894237
Energy: 1.9215874861228068
Energy: 1.5027130900100456
Energy: 1.5019595479256582
Energy: 1.5027130900089927
Energy: 1.9266116338493071
Energy: 1.4987712378222893
Energy: 1.4971614538052869
Energy: 1.4987712378201834
Energy: 2.2968935963569845
Energy: 1.5008971145258068
Energy: 1.4994462592972064
Energy: 1.5008971145268597
Energy: 2.2971970714018415
Energy: 1.499530109742597
Energy: 1.5004491682587688
Energy: 1.4995301097404914
Energy: 1.5044883401700522
Energy: 1.5022959096138209
Energy: 1.9372930326932645
Energy: 1.5022959096148736
Energy: 1.5426837789060857
Energy: 1.648810273850116
Energy: 1.9341266764911778
Energy: 1.6488102738532748
Energy: 1.544808774586946
Energy: 1.5013502859533057
Energy: 1.9249258943793794
Energy: 1.5013502859543584
Energy: 1.5000906878579972
Energy: 1.5002983536135088
Energy: 1.9380596062898046
Energy: 1.5002983536145615
Energy: 1.5005527649668373
Energy: 1.5021463267076798
Energy: 1.924326399577649
Energy: 1.5021463267066268
Energy: 1.4977243320293456
Energy: 1.4989707335304268
Energy: 2.2986222612928917
Energy: 1.4989707335272684
Energy: 1.5015121243814344
Energy: 1.5038529883309493
Energy: 2.298178015301925
Energy: 1.5038529883309493
Energy: 1.9330674674223505
Energy: 1.5622953055228093
Energy: 1.9240639294605688
Energy: 1.562295305523862
Energy: 1.9352656660643148
Energy: 1.5017778066962297
Energy: 1.5011809638648488
Energy: 1.5017778066972824
Energy: 1.5036836454875804
Energy: 1.5002476634708621
Energy: 1.4993643055768873
Energy: 1.500247663471915
Energy: 2.297027844514344
Energy: 1.4997009849747973
Energy: 1.4986159493225426
Energy: 1.4997009849716387

minimum gb energy = 1.4568618835966882 eV
minimum distance =  2.24893171587646 Angstroms
sigma value = 17


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

Energy: 1.6126212135684062
Energy: 1.4682135585776717
Energy: 1.78031154211506
Energy: 1.4357593247851455
Energy: 1.4666505271419306
Energy: 1.4675731180914062
Energy: 1.742516397422984
Energy: 1.4675731180933584
Energy: 1.9808504414741868
Energy: 1.463953730690581
Energy: 1.7437648838228343
Energy: 1.4639537306879777
Energy: 1.9941139614586507
Energy: 1.5326586490861471
Energy: 1.7340338802691124
Energy: 1.5326586490867982
Energy: 1.706988175139209
Energy: 1.4360794567318556
Energy: 1.8030146470799238
Energy: 1.4360794567318556
Energy: 1.4363916302497044
Energy: 1.4362351697613405
Energy: 1.7995040821299926
Energy: 1.4362351697600388
Energy: 1.4358530295753023
Energy: 1.4352727006214852
Energy: 1.4933759437068672
Energy: 1.435272700619533
Energy: 1.4375292452130146
Energy: 1.4365941144182033
Energy: 1.619766043402285
Energy: 1.4365941144182033
Energy: 1.9781832352894586
Energy: 1.4358943144231937
Energy: 1.7397159157740494
Energy: 1.4358943144231937
Energy: 1.7472534046907966
Energy: 1.5317311823071131
Energy: 1.737527219138488
Energy: 1.5317311823064623
Energy: 1.9751108467522396
Energy: 1.4633977068330442
Energy: 1.4886847105974175
Energy: 1.4633977068330442
Energy: 1.794924507889335
Energy: 1.4641017891248176
Energy: 1.735386698403906
Energy: 1.4641017891248176
Energy: 1.806978161712427
Energy: 1.4631373013491293
Energy: 1.4637825068587473
Energy: 1.4631373013523832
Energy: 1.466537407110278
Energy: 1.4637088622801067
Energy: 1.464695287656377
Energy: 1.4637088622801067
Energy: 1.9868740005563992
Energy: 1.4672193231106014
Energy: 1.4684572729431848
Energy: 1.4672193231106014
Energy: 1.611583618864499
Energy: 1.4656859089540626
Energy: 1.4667818220748694
Energy: 1.465685908952761
Energy: 1.4658044557898962
Energy: 1.4654833294872653
Energy: 1.7962353802392999
Energy: 1.4654833294885672
Energy: 1.4634023142767008
Energy: 1.4631542762906464
Energy: 1.9796578152749602
Energy: 1.4631542762860914
Energy: 1.4664305315683255
Energy: 1.4662376261912315
Energy: 1.7378493768016168
Energy: 1.4662376261944854
Energy: 1.4661356419388274
Energy: 1.4639768029221183
Energy: 1.619886575572618
Energy: 1.463976802920166
Energy: 1.7453578211767846
Energy: 1.4657766261648166
Energy: 1.7098010156700856
Energy: 1.465776626166118
Energy: 1.742789113105902
Energy: 1.78853994317863
Energy: 1.9839306130792138
Energy: 1.7885399431799314
Energy: 1.7343505651303126
Energy: 1.5320104945917588
Energy: 1.9889816907708817
Energy: 1.5320104945911082
Energy: 1.8083115096405988
Energy: 1.436326569353405
Energy: 1.7070558101744058
Energy: 1.436326569354056
Energy: 1.7948694308330593
Energy: 1.4359182722623227
Energy: 1.436241208921745
Energy: 1.435918272261021
Energy: 1.7355397764298752
Energy: 1.4355106675714655
Energy: 1.4359071702324129
Energy: 1.4355106675682117
Energy: 1.607499232243418
Energy: 1.436776065419757
Energy: 1.437773953575358
Energy: 1.4367760654230106
Energy: 1.4964858340028624
Energy: 1.4360071161272376
Energy: 1.979304105423928
Energy: 1.436007116128539
Energy: 1.7402675657214879
Energy: 1.53342232542053
Energy: 1.744003946450699
Energy: 1.5334223254198789
Energy: 1.489561712112552
Energy: 1.4634786394710704
Energy: 1.972662984286797
Energy: 1.4634786394710704
Energy: 1.7338751554570084
Energy: 1.4634328054059207
Energy: 1.7994178399821668
Energy: 1.4634328054039685
Energy: 1.4636787251264576
Energy: 1.4634704136612278
Energy: 1.8017504831956526
Energy: 1.4634704136638306
Energy: 1.463437415306358
Energy: 1.4628420391749526
Energy: 1.7314155087449237
Energy: 1.4628420391743018
Energy: 1.4685712410163214
Energy: 1.468365593924405
Energy: 1.9915710167247296
Energy: 1.4683655939270075
Energy: 1.7368785329488976
Energy: 1.5015310151657275
Energy: 1.607688293507584
Energy: 1.5015310151663783
Energy: 1.7963385886527377
Energy: 1.464618504096825
Energy: 1.4662125332749167
Energy: 1.4646185040942217
Energy: 1.97648757509825
Energy: 1.4625144188890096
Energy: 1.4626554295418086
Energy: 1.4625144188935646
Energy: 1.74160421848573
Energy: 1.464910964467039
Energy: 1.4653265047916832
Energy: 1.464910964467039

minimum gb energy = 1.435272700619533 eV
minimum distance =  2.24632927928495 Angstroms
sigma value = 89


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

Energy: 3.171681603121175
Energy: 1.3327346710107433
Energy: 1.662524933287414
Energy: 1.3268295799977068
Energy: 1.3352573348784977
Energy: 1.4477945011286983
Energy: 1.3385126798070426
Energy: 1.4477945011286983
Energy: 1.3303789375778117
Energy: 1.4469153897104334
Energy: 1.3360733907799998
Energy: 1.4469153897087306
Energy: 1.3268055470149736
Energy: 1.4440692725118724
Energy: 1.3314680773885472
Energy: 1.4440692725118724
Energy: 1.3305220833194333
Energy: 1.331585872406457
Energy: 1.3290593340075334
Energy: 1.3315858724047542
Energy: 1.3303037059114768
Energy: 1.3309788156941225
Energy: 1.3323452969923695
Energy: 1.3309788156941225
Energy: 1.3294307803823173
Energy: 1.3297535621507828
Energy: 1.3330603667400756
Energy: 1.3297535621524856
Energy: 1.3300370539461235
Energy: 1.3307860049113014
Energy: 1.326827493287123
Energy: 1.3307860049113014
Energy: 1.3351745259146266
Energy: 1.329232276266969
Energy: 1.3374479883946384
Energy: 1.329232276266969
Energy: 1.335456284902594
Energy: 1.4434297227204
Energy: 1.3352513347177288
Energy: 1.4434297227204
Energy: 1.3329688891015286
Energy: 1.4423626480966492
Energy: 1.3247968053071744
Energy: 1.4423626480966492
Energy: 1.327796048455456
Energy: 1.3294665286003045
Energy: 1.3331625941952154
Energy: 1.3294665286003045
Energy: 1.3289396468573618
Energy: 1.3312749991036708
Energy: 1.3302224055344176
Energy: 1.3312749991036708
Energy: 1.3323051972021933
Energy: 1.3290469546749548
Energy: 1.3284102409051248
Energy: 1.3290469546766577
Energy: 1.336077974027435
Energy: 1.331783764957016
Energy: 1.3306282899731616
Energy: 1.331783764957016

minimum gb energy = 1.3247968053071744 eV
minimum distance =  2.26748854020876 Angstroms
sigma value = 13


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

Energy: 2.750282567401339
Energy: 1.5791936283137495
Energy: 1.5796762806317648
Energy: 1.2065313645426528
Energy: 1.5223409279068238
Energy: 1.217649869983248
Energy: 1.5262101708305273
Energy: 1.217649869977604
Energy: 1.2269455107670064
Energy: 1.2172306427093946
Energy: 1.527544874703766
Energy: 1.2172306427143254
Energy: 1.8288234759293627
Energy: 1.2159433804376802
Energy: 1.5250575327791576
Energy: 1.2159433804326851
Energy: 1.5288015152909271
Energy: 1.2165095672647528
Energy: 1.5290824474592337
Energy: 1.2165095672740305
Energy: 1.5274739580854995
Energy: 1.2201814130960416
Energy: 1.5248992536964576
Energy: 1.2201814130960416
Energy: 1.527126303771421
Energy: 1.2171613540150086
Energy: 1.5229903648339524
Energy: 1.2171613540085857
Energy: 1.526707133379562
Energy: 1.2184957265338892
Energy: 1.530845496728357
Energy: 1.2184957265374579
Energy: 1.216494664181863
Energy: 1.2163319980823883
Energy: 1.529728903046452
Energy: 1.2163319980752518
Energy: 1.2163599510792171
Energy: 1.2159841975851642
Energy: 1.527900928863745
Energy: 1.2159841975873054
Energy: 1.2185393503995412
Energy: 1.2159350863095324
Energy: 1.2276543129737405
Energy: 1.215935086312387
Energy: 1.5252319322168402
Energy: 1.2806650961844739
Energy: 1.5278874317368885
Energy: 1.2806650961866148
Energy: 1.5307403326321096
Energy: 1.278538221970089
Energy: 1.5231297139761755
Energy: 1.2785382219729435
Energy: 1.525680849451273
Energy: 1.2789957312679803
Energy: 1.8286052660197258
Energy: 1.2789957312686937
Energy: 1.5278807320834702
Energy: 1.216450555399217
Energy: 1.5265470668427834
Energy: 1.2164505554006444
Energy: 1.5324015799124862
Energy: 1.2201285923325118
Energy: 1.2204711242769215
Energy: 1.2201285923346525
Energy: 1.522686145428646
Energy: 1.2175747454851629
Energy: 1.2195885282770504
Energy: 1.2175747454887313
Energy: 1.2348232119950342
Energy: 1.2185591297534557
Energy: 1.2202944492379155
Energy: 1.218559129762733
Energy: 1.8127119800077505
Energy: 1.2163395594308142
Energy: 1.5216394943620888
Energy: 1.21633955943581
Energy: 1.52808693384699
Energy: 1.2161468218004403
Energy: 1.5298197807567882
Energy: 1.2161468217918765
Energy: 1.9826851214861918
Energy: 1.2164491940252486
Energy: 1.5222988634642118
Energy: 1.2164491940245352
Energy: 1.527122082465853
Energy: 1.2175949602463016
Energy: 1.5243207370934633
Energy: 1.2175949602448743
Energy: 1.5242454052138084
Energy: 1.2164993441137275
Energy: 1.5296423502788155
Energy: 1.216499344119437
Energy: 1.2262651075036108
Energy: 1.2162742921196519
Energy: 1.5258152781270118
Energy: 1.2162742921175111
Energy: 1.5234239679379555
Energy: 1.2166939407474204
Energy: 1.5268709498387494
Energy: 1.2166939407488477
Energy: 1.2167356100612887
Energy: 1.2163688959035586
Energy: 1.5313064790484483
Energy: 1.216368895904272
Energy: 1.2160554005249553
Energy: 1.2158640471658948
Energy: 1.52660444084047
Energy: 1.2158640471594717
Energy: 1.217706476541707
Energy: 1.2156156469440673
Energy: 1.2348381511972057
Energy: 1.2156156469404993
Energy: 1.5220974911877745
Energy: 1.2171730133189735
Energy: 1.8130781803663871
Energy: 1.21717301331826
Energy: 1.5296731121794702
Energy: 1.2789208859380268
Energy: 1.5221150597662203
Energy: 1.2789208859344585
Energy: 1.5266735343212554
Energy: 1.2799469921266258
Energy: 1.8148194766818118
Energy: 1.279946992130194
Energy: 1.5318983297870494
Energy: 1.2193115821902396
Energy: 1.522357358498085
Energy: 1.219311582191667
Energy: 1.5278420553281282
Energy: 1.2161807365318895
Energy: 1.217781870654323
Energy: 1.2161807365261803
Energy: 1.8004522297172982
Energy: 1.2162048892980273
Energy: 1.216665489733857
Energy: 1.2162048892973139
Energy: 1.813190598281504
Energy: 1.2168415622453574
Energy: 1.2178926341145553
Energy: 1.2168415622432165

minimum gb energy = 1.2065313645426528 eV
minimum distance =  2.26414888869175 Angstroms
sigma value = 37


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

Energy: 1.0966606126693086
Energy: 1.1132043179654212
Energy: 1.1128779413921228
Energy: 1.0980944545310907
Energy: 1.6273687115392899
Energy: 1.1121722590743675
Energy: 1.1144781072126027
Energy: 1.1121722590743675
Energy: 1.3626370906186998
Energy: 1.1120468021281704
Energy: 1.1216928043638381
Energy: 1.1120468021281704
Energy: 1.3774647365980295
Energy: 1.2366931715068785
Energy: 1.1221797444696462
Energy: 1.236693171504423
Energy: 1.6273824041085776
Energy: 1.0901682121851461
Energy: 1.366439684412262
Energy: 1.0901682121851461
Energy: 1.6309196193521387
Energy: 1.0914080765207144
Energy: 1.093527395864451
Energy: 1.0914080765207144
Energy: 1.3651366320509841
Energy: 1.0929997476084377
Energy: 1.098136226624804
Energy: 1.0929997476096653
Energy: 1.367185736914474
Energy: 1.0965717779275523
Energy: 1.3707416269637644
Energy: 1.0965717779275523
Energy: 1.362314606313866
Energy: 1.0896074813462675
Energy: 1.3682573771108326
Energy: 1.0896074813462675
Energy: 1.3613002362745885
Energy: 1.0900720777419688
Energy: 1.0961456442363018
Energy: 1.0900720777431967
Energy: 1.3738273228633961
Energy: 1.3730866767974772
Energy: 2.3980624599505003
Energy: 1.3730866767937935
Energy: 1.361899720566511
Energy: 1.0899148824922225
Energy: 1.0947904496654235
Energy: 1.0899148824922225
Energy: 1.3622953170615535
Energy: 1.0894791701343587
Energy: 1.372111589432261
Energy: 1.0894791701343587
Energy: 1.3687385655279405
Energy: 1.2203292300392257
Energy: 1.3777277688810152
Energy: 1.2203292300416813
Energy: 1.366439684411034
Energy: 1.2163555629726708
Energy: 1.0973890172395253
Energy: 1.2163555629726708
Energy: 1.628403198953958
Energy: 1.2164377227182552
Energy: 1.0925320510870093
Energy: 1.2164377227207108
Energy: 1.6277106155705803
Energy: 1.2165593749488464
Energy: 1.3652478555814573
Energy: 1.2165593749463908
Energy: 1.3707416268582286
Energy: 1.1146735070389404
Energy: 1.120377284365427
Energy: 1.1146735070389404
Energy: 1.368257377097327
Energy: 1.1120666043273826
Energy: 1.113432575207575
Energy: 1.1120666043261545
Energy: 1.6275715154600205
Energy: 1.1127046236135458
Energy: 1.1125049556069522
Energy: 1.112704623612318

minimum gb energy = 1.0894791701343587 eV
minimum distance =  2.26196484207701 Angstroms
sigma value = 25


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

Energy: 1.8609273018788157
Energy: 0.9518512477710271
Energy: 1.343435522460737
Energy: 0.9464213512984018
Energy: 1.7879221606987554
Energy: 0.9496931486921383
Energy: 1.369516581033459
Energy: 0.9496931486940559
Energy: 1.8002481632439837
Energy: 0.9511463783241734
Energy: 1.3739433983181768
Energy: 0.9511463783222558
Energy: 1.9648565669332239
Energy: 0.9513596419845861
Energy: 1.6192882098406682
Energy: 0.9513596419845861
Energy: 1.7854284607826238
Energy: 1.0535492226995073
Energy: 1.784177591074654
Energy: 1.0535492227023835
Energy: 1.9683308539931519
Energy: 1.0513750879589947
Energy: 1.784549159361173
Energy: 1.0513750879609123
Energy: 1.9733865016733303
Energy: 0.9438175234461536
Energy: 1.7762251893285186
Energy: 0.9438175234471123
Energy: 1.3666663259065928
Energy: 0.9416852340537631
Energy: 1.9687888466294943
Energy: 0.9416852340547219
Energy: 1.3690251901740378
Energy: 0.9415836679580122
Energy: 1.77322987824057
Energy: 0.9415836679580122
Energy: 1.3651615642865076
Energy: 0.9392196795316101
Energy: 1.772661415428424
Energy: 0.9392196795335277
Energy: 1.1605736521390053
Energy: 0.9411817359651399
Energy: 2.721922384105488
Energy: 0.941181735968975
Energy: 1.1600550946035622
Energy: 0.9395858957544403
Energy: 1.7722325382444364
Energy: 0.9395858957563578
Energy: 1.159443144367964
Energy: 0.9443886691058293
Energy: 1.7736784581583154
Energy: 0.9443886691087054
Energy: 1.1620277753935733
Energy: 0.9420262554595301
Energy: 1.7723668039570601
Energy: 0.9420262554604889
Energy: 1.5786091834656901
Energy: 0.9393887592058348
Energy: 1.7762723355028804
Energy: 0.9393887592039173
Energy: 1.5747027506145606
Energy: 0.9405183693168667
Energy: 1.799978099783022
Energy: 0.9405183693168667
Energy: 1.7853305803755892
Energy: 0.9435853654094353
Energy: 1.7999751766719732
Energy: 0.9435853654094353
Energy: 1.5814229429653448
Energy: 1.0469515417859074
Energy: 1.772698985334423
Energy: 1.0469515417868662
Energy: 1.7871713429008866
Energy: 1.0402446891730142
Energy: 1.97189776536874
Energy: 1.0402446891720556
Energy: 1.7877804250004439
Energy: 1.040078702401143
Energy: 1.9693968952202128
Energy: 1.040078702401143
Energy: 1.9683322267845944
Energy: 1.043163809713923
Energy: 1.2013387413325691
Energy: 1.0431638097014593
Energy: 1.787605033252238
Energy: 0.9495357343947828
Energy: 1.1585180194642384
Energy: 0.9495357343967002
Energy: 1.8019806460891663
Energy: 0.9510197088567055
Energy: 1.3623281559033
Energy: 0.9510197088547878
Energy: 1.9703166766115332
Energy: 0.9511812392976987
Energy: 0.9526912692976517
Energy: 0.9511812392948225
Energy: 1.7856639230798121
Energy: 0.9502582022772692
Energy: 0.951643310389277
Energy: 0.9502582022763104
Energy: 1.801039896665703
Energy: 0.9500325010022284
Energy: 0.9515482178164948
Energy: 0.9500325010012696

minimum gb energy = 0.9392196795316101 eV
minimum distance =  2.26595385598933 Angstroms
sigma value = 41


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

Energy: 2.2447078434426877
Energy: 0.8364676280460245
Energy: 1.2374241464922149
Energy: 0.8345491904317806
Energy: 2.1926680181515894
Energy: 0.8336822861559617
Energy: 1.1858453645482605
Energy: 0.8336822861559617
Energy: 2.183298974460752
Energy: 0.8326740735783846
Energy: 1.1881954089105222
Energy: 0.8326740735807429
Energy: 2.197740366027973
Energy: 0.8349090875523018
Energy: 1.1932732430936432
Energy: 0.8349090875507297
Energy: 2.1898463689981713
Energy: 0.8317233139464467
Energy: 1.8677978085112326
Energy: 0.8317233139464467
Energy: 2.189266834254339
Energy: 1.2177403859362093
Energy: 1.863672584416746
Energy: 1.2177403859362093
Energy: 2.1936477017769542
Energy: 0.9180187215121555
Energy: 2.190478249311524
Energy: 0.9180187215113695
Energy: 1.8688646728360445
Energy: 0.9153413210731007
Energy: 1.8712170614835417
Energy: 0.9153413210715288
Energy: 1.5392277863568846
Energy: 0.8327538957355778
Energy: 2.194420196951423
Energy: 0.832753895740294
Energy: 1.5377750545522462
Energy: 0.8321748239882502
Energy: 2.1928776869598634
Energy: 0.8321748239898222
Energy: 1.1898486377469584
Energy: 0.8339799589555602
Energy: 2.18769549467936
Energy: 0.8339799589555602
Energy: 1.1890888715437762
Energy: 0.8325992093014624
Energy: 2.19224023721294
Energy: 0.8325992093022484
Energy: 1.187000051654734
Energy: 0.8327001630042716
Energy: 2.1931265956571018
Energy: 0.8327001630066296
Energy: 0.8363646715615433
Energy: 0.832983655048978
Energy: 2.187524171708265
Energy: 0.83298365505055
Energy: 0.8348553961076237
Energy: 0.8340680874856106
Energy: 2.1896555793532513
Energy: 0.8340680874871826
Energy: 0.8351014410816338
Energy: 0.8333169584384706
Energy: 2.183024556839699
Energy: 0.8333169584368986
Energy: 1.1885108347471196
Energy: 0.8330135240935442
Energy: 2.184072996706323
Energy: 0.8330135240652471
Energy: 1.1900438688654
Energy: 0.8329785381764323
Energy: 2.1892371888147553
Energy: 0.8329785381709301
Energy: 1.1876142875637263
Energy: 0.8329867904482344
Energy: 2.191200968251982
Energy: 0.8329867904466624
Energy: 1.861816375822547
Energy: 0.8335507100332801
Energy: 2.189029959055473
Energy: 0.8335507100356383
Energy: 1.875672207723421
Energy: 0.8334176505339062
Energy: 2.1891256166358546
Energy: 0.8334176505291899
Energy: 1.8626137343502982
Energy: 0.9147347745656492
Energy: 2.196233508318271
Energy: 0.9147347745742954
Energy: 2.195914291953147
Energy: 0.9150691530249403
Energy: 2.186037110497335
Energy: 0.9150691530225823
Energy: 1.8702826807597228
Energy: 0.9157276841856493
Energy: 1.862403403224497
Energy: 0.9157276841856493
Energy: 2.1896859464928418
Energy: 0.8325899192890203
Energy: 1.546054645035587
Energy: 0.8325899192898063
Energy: 2.1926202433205577
Energy: 0.8330530995876498
Energy: 1.8612603609235663
Energy: 0.833053099590794
Energy: 2.1882231970924813
Energy: 0.8330820270892605
Energy: 1.1874699563853652
Energy: 0.8330820271175574
Energy: 2.1886486829544656
Energy: 0.8337895131871486
Energy: 1.1901334917433
Energy: 0.8337895131879346
Energy: 2.1868766223103906
Energy: 0.8327717726159192
Energy: 1.187690135731655
Energy: 0.8327717726167051
Energy: 2.1919248480561353
Energy: 0.8344279874745246
Energy: 0.8355606340462538
Energy: 0.8344279874737385
Energy: 2.189993154273949
Energy: 0.8336504768893631
Energy: 0.8343883830053745
Energy: 0.833650476887791
Energy: 2.184836740683384
Energy: 0.8332091786093566
Energy: 0.8366107205283944
Energy: 0.8332091786093566

minimum gb energy = 0.8317233139464467 eV
minimum distance =  2.27995144815505 Angstroms
sigma value = 15


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

Energy: 2.4867543915768824
Energy: 0.7563454975428376
Energy: 1.167574200102474
Energy: 0.7554325669359326
Energy: 2.4752369164943033
Energy: 0.7524039051766366
Energy: 1.0554757963535462
Energy: 0.7524039051733072
Energy: 2.4837461944930133
Energy: 0.752674651994897
Energy: 1.055510426105533
Energy: 0.7526746519942312
Energy: 2.4830158593946416
Energy: 0.7525548764904996
Energy: 1.6495933364410775
Energy: 0.7525548764924973
Energy: 2.4735666001506473
Energy: 0.7509712231635236
Energy: 1.6445001394728138
Energy: 0.7509712231655213
Energy: 2.4745508352315686
Energy: 0.7522053919890614
Energy: 1.6390310435366333
Energy: 0.7522053919897272
Energy: 1.9246835020103896
Energy: 0.752287487300743
Energy: 2.194355126964148
Energy: 0.7522874872967479
Energy: 2.20152653750741
Energy: 0.8267152654032688
Energy: 1.648358615760937
Energy: 0.8267152654092617
Energy: 1.9233287807981796
Energy: 0.8221299501258755
Energy: 2.1939921580499897
Energy: 0.8221299501278732
Energy: 1.9215813487008044
Energy: 0.8219176905458627
Energy: 2.476500679898049
Energy: 0.8219176905525216
Energy: 1.6462179181061705
Energy: 0.751946448961961
Energy: 2.2112533013699562
Energy: 0.7519464489659563
Energy: 1.3618425785803199
Energy: 0.7505631920786942
Energy: 2.4759219173267866
Energy: 0.7505631920773626
Energy: 1.6403971319302042
Energy: 0.751614322446157
Energy: 2.477374108659959
Energy: 0.7516143224474889
Energy: 1.0598827592519198
Energy: 0.7530218861866893
Energy: 2.2050292479704896
Energy: 0.7530218861840258
Energy: 1.0613540581506171
Energy: 0.7517894378576491
Energy: 2.473159936128685
Energy: 0.7517894378556514
Energy: 1.0605039894528594
Energy: 0.753309662337095
Energy: 2.4829120242893286
Energy: 0.7533096623324338
Energy: 0.7556912703849481
Energy: 0.7518086959127185
Energy: 2.4886989500446126
Energy: 0.7518086959120526
Energy: 0.7529857847459326
Energy: 0.7515960149806008
Energy: 2.473986947704261
Energy: 0.7515960149819325
Energy: 0.754649777469861
Energy: 0.7537669255182766
Energy: 2.4780195993216396
Energy: 0.7537669255169449
Energy: 1.0597907761098788
Energy: 0.7524084180145664
Energy: 2.4666279945738614
Energy: 0.7524084180145664
Energy: 1.059278115048284
Energy: 0.751832412869664
Energy: 2.473966064437087
Energy: 0.7518324128690587
Energy: 1.0585909598142915
Energy: 0.7526553145674433
Energy: 2.4812650205715063
Energy: 0.7526553145701068
Energy: 1.6386508946362537
Energy: 0.7518748376699728
Energy: 2.4710350792261555
Energy: 0.7518748376726362
Energy: 1.6476523276091102
Energy: 0.7509566476074592
Energy: 2.4758035348136094
Energy: 0.7509566476054615
Energy: 1.6469839691252368
Energy: 0.7523428556747506
Energy: 1.9301797762547523
Energy: 0.7523428556767481
Energy: 2.198887162733435
Energy: 0.8217237711280827
Energy: 2.4789285093353586
Energy: 0.8217237711181551
Energy: 1.6429683418868568
Energy: 0.8227001064266053
Energy: 2.1956521404529545
Energy: 0.8227001064232757
Energy: 2.199905330435276
Energy: 0.8266031396742399
Energy: 1.9330534122655008
Energy: 0.8266031396689129
Energy: 2.2020962259644112
Energy: 0.7522075149172897
Energy: 2.195864468149086
Energy: 0.7522075149172897
Energy: 2.1982879163374913
Energy: 0.7525722539150433
Energy: 1.6403985732957813
Energy: 0.7525722539023918
Energy: 2.4729102339341744
Energy: 0.751062529595634
Energy: 1.36189274797918
Energy: 0.7510625295936363
Energy: 2.2042598941147435
Energy: 0.7524882627391135
Energy: 1.6465088519382225
Energy: 0.7524882627417769
Energy: 2.4789283561366684
Energy: 0.7528903785315489
Energy: 1.0570363690327091
Energy: 0.7528903785328808
Energy: 2.4754387188288796
Energy: 0.7523516632752258
Energy: 1.0566174955406225
Energy: 0.7523516632725623
Energy: 2.469778163726762
Energy: 0.7521151083571737
Energy: 0.7582557236962403
Energy: 0.7521151083585055
Energy: 2.474247190999147
Energy: 0.7525236352219415
Energy: 0.7536589006358324
Energy: 0.7525236352212757
Energy: 2.481044993270045
Energy: 0.7525509944421376
Energy: 0.7538509779948455
Energy: 0.7525509944414717

minimum gb energy = 0.7505631920773626 eV
minimum distance =  2.28201466909933 Angstroms
sigma value = 85


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

Energy: 2.694837453041886
Energy: 0.6710638712636405
Energy: 0.6708536868938518
Energy: 0.5742234039615532
Energy: 2.666207485737414
Energy: 0.6685026568444885
Energy: 0.9374479877506869
Energy: 0.6685026568444885
Energy: 2.6615534442205884
Energy: 0.6681808595765323
Energy: 0.9379409882955468
Energy: 0.6681808595776874
Energy: 2.180106661539798
Energy: 0.6703922372241832
Energy: 1.453627326589662
Energy: 0.6703922372236056
Energy: 2.6641562910593546
Energy: 0.6675272159377454
Energy: 1.4569108849735595
Energy: 0.6675272159423656
Energy: 2.1854949354409867
Energy: 0.6694313349760632
Energy: 1.4532800685948326
Energy: 0.6694313349760632
Energy: 2.182172775791825
Energy: 0.6689210162980651
Energy: 1.9468208805768068
Energy: 0.6689210163021079
Energy: 2.4292154357503484
Energy: 0.6694911178873391
Energy: 1.456143109773831
Energy: 0.6694911178919591
Energy: 2.1846972141965217
Energy: 0.6681708228905232
Energy: 1.9429368122574886
Energy: 0.6681708228772405
Energy: 2.1907804360436374
Energy: 0.7961630835305499
Energy: 2.4227210046708954
Energy: 0.7961630835293948
Energy: 1.9491418516479964
Energy: 0.7965660185634412
Energy: 1.9407329837808032
Energy: 0.7965660185576661
Energy: 1.7045028857372053
Energy: 0.6683813231305399
Energy: 2.4226222172744554
Energy: 0.6683813231293849
Energy: 1.943601566897833
Energy: 0.6678607899985102
Energy: 2.4244312537469845
Energy: 0.6678607900019753
Energy: 1.459984491983154
Energy: 0.6691013331444979
Energy: 1.9382950297540373
Energy: 0.6691013331439204
Energy: 1.2077637398069452
Energy: 0.6676982439646452
Energy: 2.66404749515983
Energy: 0.6676982439629126
Energy: 1.4555018065299692
Energy: 0.6693400126187267
Energy: 2.425976587484726
Energy: 0.6693400126169942
Energy: 0.9435107472589594
Energy: 0.6700377405548111
Energy: 2.4201263401769437
Energy: 0.6700377405536563
Energy: 0.9414710000579557
Energy: 0.6683273867407505
Energy: 2.663483845122159
Energy: 0.6683273867413281
Energy: 0.942720109387274
Energy: 0.6701277219497755
Energy: 2.656511010160888
Energy: 0.6701277219491981
Energy: 0.6709485716057969
Energy: 0.6693045466398914
Energy: 2.656364278271262
Energy: 0.6693045466393138
Energy: 0.6685863576297747
Energy: 0.6681453539700483
Energy: 2.664407999954298
Energy: 0.6681453539700483
Energy: 0.6708379644101993
Energy: 0.6702526983104273
Energy: 2.6559164549933043
Energy: 0.6702526983104273
Energy: 0.9407099641307598
Energy: 0.6692868081722957
Energy: 2.658468984617008
Energy: 0.6692868081740283
Energy: 0.9403616509316719
Energy: 0.6677956303453235
Energy: 2.666033706164922
Energy: 0.667795630345901
Energy: 0.9414236112046314
Energy: 0.6720229334791611
Energy: 2.1801115693039868
Energy: 0.6720229334785837
Energy: 1.4532074129204797
Energy: 0.6689438363869131
Energy: 2.658791834340434
Energy: 0.668943836385758
Energy: 1.4555084848022757
Energy: 0.6676725226989594
Energy: 2.6612443528372345
Energy: 0.6676725227058895
Energy: 1.4533991829559607
Energy: 0.6694120935782586
Energy: 2.1822057067040395
Energy: 0.6694120935799911
Energy: 1.9497950566064532
Energy: 0.6675928447447439
Energy: 2.6663651762848155
Energy: 0.6675928447378137
Energy: 1.9456658228260941
Energy: 0.667948231459451
Energy: 2.18662267484618
Energy: 0.6679482314663813
Energy: 2.190710797250792
Energy: 0.7959414680247344
Energy: 1.7012361947430308
Energy: 0.7959414680559203
Energy: 1.940627632227457
Energy: 0.7956353410954815
Energy: 2.190048546427143
Energy: 0.7956353411000754
Energy: 2.4261781843019143
Energy: 0.6678578130345373
Energy: 1.6992619250646424
Energy: 0.6678578130391576
Energy: 2.666405228122341
Energy: 0.6674574653598261
Energy: 1.7011805945971268
Energy: 0.6674574653598261
Energy: 1.9377903033259605
Energy: 0.6700878991950959
Energy: 1.4532967251114723
Energy: 0.6700878991916308
Energy: 2.6686297226142743
Energy: 0.6675413364150977
Energy: 1.4558406243466726
Energy: 0.6675413364139426
Energy: 2.658936691286536
Energy: 0.6685777400866005
Energy: 1.4532606303875684
Energy: 0.6685777400866005
Energy: 2.4202972659493707
Energy: 0.6711878246766986
Energy: 0.9416876111081827
Energy: 0.671187824676121
Energy: 2.665102790752618
Energy: 0.6675670196249999
Energy: 0.9397714228689079
Energy: 0.6675670196249999
Energy: 2.6564371532133015
Energy: 0.6693218581686445
Energy: 0.9406790811404958
Energy: 0.6693218581680669
Energy: 2.4179201011512426
Energy: 0.669877417059629
Energy: 0.6705714759209438
Energy: 0.669877417059629
Energy: 2.664041853603316
Energy: 0.66782990767903
Energy: 0.6682817574472736
Energy: 0.66782990767903
Energy: 2.6560236027779776
Energy: 0.669786197016223
Energy: 0.6710626822894855
Energy: 0.669786197013913

minimum gb energy = 0.5742234039615532 eV
minimum distance =  2.2772353023247 Angstroms
sigma value = 113


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

Energy: 0.015265226460673886
Energy: 0.584888211086707
Energy: 2.3980745451797087
Energy: 0.01621537627962005
Energy: 1.9220865944552772
Energy: 0.14815697167149952
Energy: 1.9280205334719347
Energy: 0.14815697167149952
Energy: 0.01597642177471018
Energy: 0.14617089680522846
Energy: 1.9266208421530449
Energy: 0.1461708968047845
Energy: 0.017322264803848107
Energy: 0.14750747955442503
Energy: 1.9227694737596228
Energy: 0.14750747955442503
Energy: 1.9274444930190657
Energy: 0.1466019672816505
Energy: 1.923425048550937
Energy: 0.1466019672820945
Energy: 0.02821147916995894
Energy: 0.14608738303698973
Energy: 1.9174854058041075
Energy: 0.146087383037409

minimum gb energy = 0.015265226460673886 eV
minimum distance =  2.51758482264691 Angstroms
sigma value = 1