Model name: model_name=SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000
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=3.169258482754231
cohesive_energy=5.496712243166805
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -5.3546056935499 eV

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

Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 0.017252432227326062
Energy: 0.017055846410920228
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 1.3774416850649336
Energy: 0.01748624514586665
Energy: 0.016751147266958973
Energy: 1.3619247969926076
Energy: 0.016751147266958973
Energy: 0.01748624514586665
Energy: 1.3774416850649336
Energy: 0.01748624514586665
Energy: 0.016751147266958973
Energy: 1.3619247969926076
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 0.017252432227326062
Energy: 0.017055846410920228
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 1.3774416850649336
Energy: 0.01748624514586665
Energy: 0.016751147266958973
Energy: 1.3619247969926076
Energy: 0.016751147266958973
Energy: 0.01748624514586665
Energy: 1.3774416850649336
Energy: 0.01748624514586665
Energy: 0.016751147266958973
Energy: 1.3619247969926076
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 0.017252432227326062
Energy: 0.017055846410920228
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 1.3774416850649336
Energy: 0.01748624514586665
Energy: 0.016751147266958973
Energy: 1.3619247969926076
Energy: 0.016751147266958973
Energy: 0.01748624514586665
Energy: 1.3774416850649336
Energy: 0.01748624514586665
Energy: 0.016751147266958973
Energy: 1.3619247969926076
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564
Energy: 0.017252432227326062
Energy: 0.017055846410920228
Energy: 0.01565114903451355
Energy: 0.017055846410920228
Energy: 0.017252432227326062
Energy: 2.0523733268886564

minimum gb energy = 0.01565114903451355 eV
minimum distance =  2.45638261509884 Angstroms
sigma value = 3


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

Energy: 2.189684087921153
Energy: 2.201599838477943
Energy: 2.214152755282842
Energy: 2.206654260972397
Energy: 2.0995909638525445
Energy: 2.1023288123919945
Energy: 2.1896840879257597
Energy: 2.201599838477943
Energy: 2.214152755282842
Energy: 2.249031502116492
Energy: 2.3418045816346806
Energy: 2.0899555999317214
Energy: 2.026549175699206
Energy: 2.2649179674614226
Energy: 2.1494524393908594
Energy: 2.0564011896335654
Energy: 2.3418045816346806
Energy: 2.0899555999317214
Energy: 2.026549175699206
Energy: 2.2649179674614226
Energy: 2.058320841467964
Energy: 2.1335897623504576
Energy: 2.0314967147722
Energy: 2.1417665929689753
Energy: 2.0643516084397557
Energy: 2.0541049882671247
Energy: 2.058320841467964
Energy: 2.1335897623504576
Energy: 2.0314967147722
Energy: 2.1417665929643683
Energy: 1.9921437479526132
Energy: 2.0641821252922363
Energy: 2.18030984756203
Energy: 2.1178443478374196
Energy: 2.0740565894336207
Energy: 2.0867979559211167
Energy: 1.9921437479572197
Energy: 2.0641821252922363
Energy: 2.180309847557423
Energy: 2.1178443478374196
Energy: 2.0738453178193477
Energy: 2.1136403759868747
Energy: 2.118166015798333
Energy: 2.128480348878477
Energy: 2.0795013808598704
Energy: 2.340613688857367
Energy: 2.0738453178193477
Energy: 2.1136403759868747
Energy: 2.118166015798333
Energy: 2.128480348878477
Energy: 2.0399814916384797
Energy: 2.0359541539065504
Energy: 2.139603845254586
Energy: 2.0915498488631705
Energy: 2.116522428144151
Energy: 2.0155292417989292
Energy: 2.0399814916384797
Energy: 2.0359541539019435
Energy: 2.139603845254586
Energy: 2.0915498488631705
Energy: 1.991480296336987
Energy: 2.1800399532918164
Energy: 2.423257620718989
Energy: 1.9871773204004484
Energy: 2.0325927655346607
Energy: 2.178347672264953
Energy: 1.991480296336987
Energy: 2.1800399532918164
Energy: 2.423257620718989
Energy: 1.9871773204004484
Energy: 2.0586242688215974
Energy: 2.2146609219644016
Energy: 2.144126092869615
Energy: 1.9861918670215017
Energy: 2.129146014062941
Energy: 2.0881085318170642
Energy: 2.0586242688215974
Energy: 2.2146609219644016
Energy: 2.144126092869615
Energy: 1.9861918670215017
Energy: 2.0913454395693845
Energy: 2.02615240750822
Energy: 2.1432810808357674
Energy: 2.245213415728557
Energy: 2.073813416942956
Energy: 2.3210534287398072
Energy: 2.0913454395693845
Energy: 2.026152406826708
Energy: 2.1432811969627563
Energy: 2.245213415728557
Energy: 2.1182644708455003
Energy: 2.187317929748525
Energy: 2.2063216738267473
Energy: 2.1755081962570166
Energy: 2.2683782371798604
Energy: 2.14178472625422
Energy: 2.1182644708455003
Energy: 2.187317929748525
Energy: 2.2063216738267473
Energy: 2.1755081962570166
Energy: 2.0796721476661433
Energy: 2.1756996825854076
Energy: 2.463684640107851
Energy: 2.129069729066355
Energy: 2.0625200005029773
Energy: 2.153948297071741
Energy: 2.0796721476661433
Energy: 2.1756996825854076
Energy: 2.463684640107851
Energy: 2.129069729066355
Energy: 2.098147371548606
Energy: 2.0773160082007682
Energy: 2.1191830383717254
Energy: 1.9873827952976344
Energy: 2.052267305288765
Energy: 2.0531871648489255
Energy: 2.098147371548606
Energy: 2.0773160082007682
Energy: 2.1191830383717254
Energy: 1.9873827952976344
Energy: 2.008839830234343
Energy: 2.17533998498237
Energy: 2.1352429055125177
Energy: 2.1285694132990614
Energy: 2.042869692649722
Energy: 2.3052076292591135
Energy: 2.008839830229736
Energy: 2.17533998498237
Energy: 2.1352429055125177
Energy: 2.1285694132990614
Energy: 2.127560252619208
Energy: 2.146396134436931
Energy: 2.0741432537380127
Energy: 2.0886815875140377
Energy: 2.183912804005574
Energy: 2.0967809193158273
Energy: 2.127560252619208
Energy: 2.146396134436931
Energy: 2.0741432537380127
Energy: 2.0886815875140377
Energy: 2.044183803872194
Energy: 2.1197365856528636
Energy: 2.1174489900069737
Energy: 2.1369623585461346
Energy: 2.053134444579694
Energy: 1.9936877611651107
Energy: 2.044183803872194
Energy: 2.1197365856528636
Energy: 2.1174489900069737
Energy: 2.1369623585461346
Energy: 1.9916157574933644
Energy: 2.4659610143244333
Energy: 2.3231419429609903
Energy: 2.0572300389762384
Energy: 2.1349690749363535
Energy: 2.082386524787137
Energy: 1.9916157574887579
Energy: 2.4659610143244333
Energy: 2.3231419429609903
Energy: 2.0572300389762384
Energy: 2.260150732373386
Energy: 2.110874235037017
Energy: 2.072442063702256
Energy: 2.064373419311229
Energy: 2.1417121163518416
Energy: 2.0728695189901147
Energy: 2.260150732373386
Energy: 2.110874235037017
Energy: 2.0724420636838286
Energy: 2.0850673318586295
Energy: 2.3080289763085005
Energy: 2.311283726683294
Energy: 2.026170908125373
Energy: 2.091359055392709
Energy: 2.3383387795513046
Energy: 2.102118157223822
Energy: 2.3080289763085005
Energy: 2.311283726683294
Energy: 2.026170908125373
Energy: 2.091359055392709
Energy: 2.043111568012767
Energy: 2.1086196461862587
Energy: 2.100031718764527
Energy: 2.0774339448180488
Energy: 2.0882023671101777
Energy: 2.0936316664938994
Energy: 2.04311156800816
Energy: 2.1086196461862587
Energy: 2.100031718764527
Energy: 2.0774339448180488
Energy: 1.9873429585364923
Energy: 2.396760754794741
Energy: 2.08321643489981
Energy: 2.0145676769989156
Energy: 1.9863340357591237
Energy: 2.0830014370971095
Energy: 1.9873429585364923
Energy: 2.396760754794741
Energy: 2.08321643489981
Energy: 2.0145676769989156
Energy: 2.0868288549781435
Energy: 2.13959183184946
Energy: 1.97530152259836
Energy: 1.9917759203725578
Energy: 2.041779465030936
Energy: 2.111297021386031
Energy: 2.0868288549781435
Energy: 2.13959183184946
Energy: 1.97530152259836
Energy: 1.9917759203725578
Energy: 2.1282803514009028
Energy: 2.1156938716170846
Energy: 2.1395663250473196
Energy: 2.109950285968069
Energy: 2.142201226092037
Energy: 2.0084964877836935
Energy: 2.1282803514009028
Energy: 2.115693871612477
Energy: 2.1395663250473196
Energy: 2.109950285968069
Energy: 2.1174372782431794
Energy: 2.0830678340213367
Energy: 2.104256141260212
Energy: 2.2296786958011694
Energy: 2.0827574852791066
Energy: 2.003170938488331
Energy: 2.1174372782431794
Energy: 2.0830678340213367
Energy: 2.104256141260212
Energy: 2.2296786958011694
Energy: 2.1343152624945336
Energy: 1.9741648810281727
Energy: 2.1162279435245748
Energy: 2.058597432917295
Energy: 2.0050676722286265
Energy: 2.187091330115654
Energy: 2.1343152624945336
Energy: 1.9741648810281727
Energy: 2.0999444780423717
Energy: 2.0585974329126886
Energy: 2.1740503274082745
Energy: 2.0257597652264714
Energy: 2.0911416751683216
Energy: 2.045950085344704
Energy: 2.0772372191528246
Energy: 2.175443967362985
Energy: 2.1740503274128815
Energy: 2.0257597652264714
Energy: 2.0911416751683216
Energy: 2.0459500852986365
Energy: 2.2502714224780194
Energy: 2.101312173229415
Energy: 2.0747552753217793
Energy: 2.149025639001751
Energy: 2.0723480564273635
Energy: 2.214152755287407
Energy: 2.2502714224780194
Energy: 2.101312173229415
Energy: 2.0747552753217793
Energy: 2.149025639001751
Energy: 2.26491796746603
Energy: 2.1494524393908594
Energy: 2.0564011896335654
Energy: 2.3418045816346806
Energy: 2.0899555999317214
Energy: 2.0265491757038125
Energy: 2.2649179674614226
Energy: 2.1494524393908594
Energy: 2.0564011896381724
Energy: 2.3418045816346806
Energy: 2.1343152624945336
Energy: 2.0643516084397557
Energy: 2.0541049882625178
Energy: 2.058320841472571
Energy: 2.1335897623504576
Energy: 2.0314967147722
Energy: 2.1343152624945336
Energy: 2.0643516084397557
Energy: 2.072573660712906
Energy: 2.058320841467964
Energy: 2.1178443478374196
Energy: 2.0740565894336207
Energy: 2.110826595240166
Energy: 1.9921437479572197
Energy: 2.0641821252922363
Energy: 2.180309847557423
Energy: 2.1178443478374196
Energy: 2.0740565894336207
Energy: 2.110826595235559
Energy: 1.9921437479572197

minimum gb energy = 1.9741648810281727 eV
minimum distance =  2.40667056376766 Angstroms
sigma value = 75


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

Energy: 2.4067010185075137
Energy: 2.225610562771811
Energy: 2.2474152315616283
Energy: 2.3385155506464406
Energy: 2.34982697520392
Energy: 2.518827055314771
Energy: 2.4067010185075137
Energy: 2.225610562771811
Energy: 2.2474152315616283
Energy: 2.336519634308415
Energy: 2.2684868500569046
Energy: 2.1677817611860566
Energy: 2.237484851589726
Energy: 2.4073899921688127
Energy: 2.2352540177158184
Energy: 2.228535233721908
Energy: 2.2684868500591118
Energy: 2.1721507983193002
Energy: 2.237484851589726
Energy: 2.4073899921688127
Energy: 2.181462516387093
Energy: 2.2171354856562537
Energy: 2.1730304868048327
Energy: 2.2467594768583967
Energy: 2.337682860952206
Energy: 2.2210484325656177
Energy: 2.181462516387093
Energy: 2.2171354856562537
Energy: 2.1730304868048327
Energy: 2.2467594768583967
Energy: 2.193072384498807
Energy: 2.24168666950188
Energy: 2.169064608535956
Energy: 2.2615795918939052
Energy: 2.2430828903684583
Energy: 2.1521063863947276
Energy: 2.193072384498807
Energy: 2.24168666950188
Energy: 2.169064608535956
Energy: 2.2615795918939052
Energy: 2.178835979743969
Energy: 2.1499743315460043
Energy: 2.3670589911376503
Energy: 2.2330805338702193
Energy: 2.1655817989430006
Energy: 2.2105480858678646
Energy: 2.178835979743969
Energy: 2.1499743315460043
Energy: 2.3670589911376503
Energy: 2.2330805338702193
Energy: 2.419893840240848
Energy: 2.1891409700885287
Energy: 2.2463531951488003
Energy: 2.2342334514066042
Energy: 2.4187208121684804
Energy: 2.2731763816108295
Energy: 2.419893840240848
Energy: 2.1891409700905724
Energy: 2.2463531951488003
Energy: 2.2342334514066042
Energy: 2.4911062021670927
Energy: 2.317309199315347
Energy: 2.224823713791121
Energy: 2.2728381584297273
Energy: 2.2390708269608064
Energy: 2.3808029498365646
Energy: 2.4911062021670927
Energy: 2.317309199315347
Energy: 2.224823713793369
Energy: 2.2728381584297273
Energy: 2.4381586166830598
Energy: 2.356925483550364
Energy: 2.1912416456238506
Energy: 2.272585684931205
Energy: 2.4499459982058736
Energy: 2.233048733646697
Energy: 2.4381586166830598
Energy: 2.356925483550364
Energy: 2.1912416456238506
Energy: 2.272585684931205
Energy: 2.201042845266097
Energy: 2.1512507262848515
Energy: 2.206209496885491
Energy: 2.1839111815668963
Energy: 2.236472368040259
Energy: 2.1845194483923596
Energy: 2.201042845266097
Energy: 2.1512507262848515
Energy: 2.206209496885491
Energy: 2.1839111815668963
Energy: 2.1484495933177477
Energy: 2.3297800992621487
Energy: 2.2672743324330304
Energy: 2.1808151277689043
Energy: 2.2348442288790094
Energy: 2.2642170976668687
Energy: 2.1484495933177477
Energy: 2.3297800992621487
Energy: 2.2672743324330304
Energy: 2.1808151277689043
Energy: 2.325161971992668
Energy: 2.282969095085628
Energy: 2.1540475536509045
Energy: 2.3774431942716374
Energy: 2.2350306989927056
Energy: 2.2282949052822696
Energy: 2.325161971992668
Energy: 2.282969095085628
Energy: 2.1540475536509045
Energy: 2.3774431942716374
Energy: 2.3400438874176035
Energy: 2.42536432012922
Energy: 2.315950301080331
Energy: 2.288790017341951
Energy: 2.234440967396811
Energy: 2.2159961946037106
Energy: 2.3400438874176035
Energy: 2.4253643201314685
Energy: 2.315950301080331
Energy: 2.288790017341951
Energy: 2.2777364422943047
Energy: 2.48950545014108
Energy: 2.314335846749283
Energy: 2.599308931186316
Energy: 2.2740458990022683
Energy: 2.162498827088224
Energy: 2.2777364422943047
Energy: 2.48950545014108
Energy: 2.314335846749283
Energy: 2.599308931186316
Energy: 2.2972046889084137
Energy: 2.4450397337265075
Energy: 2.2510760590138545
Energy: 2.2813308407447224
Energy: 2.375731821525047
Energy: 2.2396733871809476
Energy: 2.2972046889084137
Energy: 2.4450397337265075
Energy: 2.2510760590138545
Energy: 2.2813308407447224
Energy: 2.423960736553023
Energy: 2.2243330610485152
Energy: 2.153196546672249
Energy: 2.3166134886089216
Energy: 2.1696029291737773
Energy: 2.231466418261566
Energy: 2.423960736553023
Energy: 2.2243330610485152
Energy: 2.153196546672249
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Energy: 2.2635311097238877
Energy: 2.170037369747759
Energy: 2.3679992856094056
Energy: 2.1564004653092734
Energy: 2.170448901931712
Energy: 2.215859764965482
Energy: 2.2635311097238877
Energy: 2.170037369747759
Energy: 2.3679992856094056
Energy: 2.1564004653092734
Energy: 2.2285854651083876
Energy: 2.1585028463475373
Energy: 2.3378819079126965
Energy: 2.1673234423360643
Energy: 2.4121063559211384
Energy: 2.232945656742876
Energy: 2.2285854651083876
Energy: 2.1585028463475373
Energy: 2.3378819079126965
Energy: 2.1673234423360643
Energy: 2.226818664587176
Energy: 2.2383606751609118
Energy: 2.606965147866078
Energy: 2.3005459348082433
Energy: 2.227456997275192
Energy: 2.266018011656835
Energy: 2.226818664587176
Energy: 2.2383606751586638
Energy: 2.606965147866078
Energy: 2.300545934805791
Energy: 2.420547338609425
Energy: 2.298350612075876
Energy: 2.1764607630715345
Energy: 2.299557715984955
Energy: 2.4979877987982784
Energy: 2.2741401129857146
Energy: 2.420547338609425
Energy: 2.298350612075876
Energy: 2.1764607630715345
Energy: 2.2995577159825022
Energy: 2.2286185897287183
Energy: 2.235100868945344
Energy: 2.412182187932405
Energy: 2.1559810169990867
Energy: 2.3378819079126965
Energy: 2.4044119717163057
Energy: 2.2286185897287183
Energy: 2.235100868945344
Energy: 2.412182187932405
Energy: 2.155981017001335
Energy: 2.232007007063952
Energy: 2.215859764965482
Energy: 2.1719372187312445
Energy: 2.151140912089373
Energy: 2.3679992856094056
Energy: 2.1593132352141224
Energy: 2.232007007063952
Energy: 2.215859764965482
Energy: 2.1719372187312445
Energy: 2.151140912089373
Energy: 2.181014025512963
Energy: 2.257074978396618
Energy: 2.181514093196744
Energy: 2.3882218760985685
Energy: 2.1439011006500315
Energy: 2.2087980476632527
Energy: 2.181014025512963
Energy: 2.257074978396618
Energy: 2.181514093196744
Energy: 2.3882218760985685
Energy: 2.297189743990987
Energy: 2.228470607942859
Energy: 2.1769456964997005
Energy: 2.304109450064743
Energy: 2.2510968757342926
Energy: 2.4472937531009573
Energy: 2.297189743990987
Energy: 2.2284706079271235
Energy: 2.1769456965019485
Energy: 2.304109450064743
Energy: 2.147646384571471
Energy: 2.1358747988641755
Energy: 2.2774705380542244
Energy: 2.5585181308800613
Energy: 2.3190168536308837
Energy: 2.1979366058029113
Energy: 2.147646384571471
Energy: 2.1580693512071156
Energy: 2.2774705380542244
Energy: 2.5585181308800613
Energy: 2.339993348744956
Energy: 2.4288017096250565
Energy: 2.2348592704228833
Energy: 2.31444507546746
Energy: 2.399093284442865
Energy: 2.499631957602944
Energy: 2.339993348744956
Energy: 2.4288017096250565
Energy: 2.2348592704228833
Energy: 2.314445075469708
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minimum gb energy = 2.1358747988641755 eV
minimum distance =  2.38927510293473 Angstroms
sigma value = 105


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

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Energy: 2.488520392500718
Energy: 2.2670333800569176
Energy: 2.257491956689335
Energy: 2.075442285134632
Energy: 2.4684683144874713
Energy: 2.2689730080403616
Energy: 2.4896212396679456
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Energy: 2.42692241781735
Energy: 2.1280364994609253
Energy: 2.1529092252803532
Energy: 2.2689730080403616
Energy: 2.4874916320081772
Energy: 2.1815220582876194
Energy: 2.42692241781735
Energy: 2.139665014237999
Energy: 2.526227729849974
Energy: 2.2939114390494826
Energy: 2.2737854377334172
Energy: 2.128841907395087
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Energy: 2.1396650142405353
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Energy: 2.1399045764015447
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Energy: 2.1268235998676697
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Energy: 2.2584243450345522
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Energy: 2.489717962375539
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Energy: 2.275063247716124
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Energy: 2.4106921115166156
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Energy: 2.1941838656359574
Energy: 2.275063247716124
Energy: 2.221670109485783
Energy: 2.2016354401000684
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Energy: 2.257775470704905
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Energy: 2.1545963388243266
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Energy: 2.3899415682111846
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Energy: 2.2275731251640325
Energy: 2.1394336099883833
Energy: 2.305523870955172
Energy: 2.1268119464449087
Energy: 2.4751148699096843
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Energy: 2.2275731251716406
Energy: 2.1391403841446577
Energy: 2.2064074964616425
Energy: 2.1431579649525014
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Energy: 2.1391403841446577
Energy: 2.2064074964616425
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Energy: 2.1498420594454766
Energy: 2.156842222698077
Energy: 2.133403330232071
Energy: 2.2273259887740395
Energy: 2.141846282948505
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Energy: 2.1498420594454766
Energy: 2.156842222698077
Energy: 2.133403330234607
Energy: 2.227325988771526
Energy: 2.1509628750968863
Energy: 2.148678302596358
Energy: 2.476724668352375
Energy: 2.154790140641327
Energy: 2.2538863912172333
Energy: 2.155393751469342
Energy: 2.1509628750968863
Energy: 2.148678302596358
Energy: 2.476724668352375
Energy: 2.154790140641327
Energy: 2.275898424360607
Energy: 2.1390480352652244
Energy: 2.1362351675062095
Energy: 2.141151035147395
Energy: 2.273239792516793
Energy: 2.129451770615601
Energy: 2.2758984243783353
Energy: 2.1390480352652244
Energy: 2.136235167470729
Energy: 2.141151035147395
Energy: 2.162679950958286
Energy: 2.1742549331593537
Energy: 2.4821738579524806
Energy: 2.250817087392234
Energy: 2.396531727701172
Energy: 2.1435553312790576
Energy: 2.162679950958286
Energy: 2.1742549331568175
Energy: 2.4821738579524806
Energy: 2.250817087392234
Energy: 2.3137846992720026
Energy: 2.126426126951631
Energy: 2.3057238452213724
Energy: 2.2272050773438155
Energy: 2.42868391973658
Energy: 2.195783269539039
Energy: 2.3137846992720026
Energy: 2.126426126951631
Energy: 2.3057238452239086
Energy: 2.2272050773412793
Energy: 2.096951924759412
Energy: 2.126938715137038
Energy: 2.274259773421788
Energy: 2.155240294669605
Energy: 2.2198566085189824
Energy: 2.145936323242035
Energy: 2.096951924759412
Energy: 2.126938715139574
Energy: 2.274259773419252
Energy: 2.155240294669605
Energy: 2.147532958079399
Energy: 2.2601624583938986
Energy: 2.1399435043337847
Energy: 2.2190352054159215
Energy: 2.2060657010873808
Energy: 2.1552563786462278
Energy: 2.147532958079399
Energy: 2.2601624583938986
Energy: 2.1399435043337847
Energy: 2.2190352054159215
Energy: 2.224392131399724
Energy: 2.2259389769937576
Energy: 2.1397580411178687
Energy: 2.272254398036164
Energy: 2.1108043891821207
Energy: 2.271809314374968
Energy: 2.224392131394652
Energy: 2.2259389769937576
Energy: 2.1397580411178687
Energy: 2.2722543980387

minimum gb energy = 2.075442285132096 eV
minimum distance =  2.41889857763132 Angstroms
sigma value = 165


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

Energy: 2.116196241281424
Energy: 2.242229420746647
Energy: 1.9599835372701349
Energy: 2.2737758933219054
Energy: 1.9601624867795349
Energy: 2.240734463597427
Energy: 2.116196241281424
Energy: 2.2422294207475177
Energy: 1.9599835372701349
Energy: 2.149954083390834
Energy: 2.2058635803907802
Energy: 2.317644960331378
Energy: 1.959292985393347
Energy: 2.2481337444842016
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Energy: 1.9855036925557779
Energy: 2.2058635803907802
Energy: 2.317644960331378
Energy: 1.959292985393347
Energy: 2.2481337444842016
Energy: 2.003504618189523
Energy: 2.3089439897314885
Energy: 2.0979276976187498
Energy: 1.9911419496572116
Energy: 1.9855492127274437
Energy: 2.09541098512414
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Energy: 1.9911419496572116
Energy: 2.1248232212431377
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Energy: 2.31002875189944
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Energy: 2.31002875189944
Energy: 1.987189794461289
Energy: 2.2639734095843527
Energy: 2.0590466286534466
Energy: 2.2510398501293927
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Energy: 2.2510398501293927
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Energy: 2.2847663532226488
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Energy: 2.008104467679066
Energy: 2.0875334961366643
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Energy: 2.0084964225925273
Energy: 1.9868781398597561
Energy: 1.9843963102550946
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Energy: 2.2486989109124425
Energy: 1.959914559063956
Energy: 2.040832873619243
Energy: 1.986878139860627
Energy: 1.9843963102550946
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Energy: 2.2486989109124425
Energy: 2.0169101593581176
Energy: 2.2857141169122093
Energy: 2.2023967605595733
Energy: 2.2640239897891585
Energy: 1.9599887039436767
Energy: 2.2440504161529033
Energy: 2.0169101593589875
Energy: 2.2857141169122093
Energy: 2.2023967605587034
Energy: 2.2640239897891585
Energy: 1.9598402608411511
Energy: 2.2508840406458535
Energy: 2.059339299147545
Energy: 2.2638903685151477
Energy: 1.9850142511210767
Energy: 1.9854917784717228
Energy: 1.9598402608411511
Energy: 2.2508840406467243
Energy: 2.059339299147545
Energy: 2.263890368516018
Energy: 1.986974203652423
Energy: 2.309656097220578
Energy: 2.264699503569082
Energy: 2.125254889287302
Energy: 1.979863262443538
Energy: 1.9857241773242564
Energy: 1.986974203652423
Energy: 2.309656097220578
Energy: 2.264699503569082
Energy: 2.125254889287302
Energy: 1.9910548785286595
Energy: 2.097927697617879
Energy: 2.308938753184058
Energy: 2.003530689743716
Energy: 2.09541098512414
Energy: 1.9860387228620684
Energy: 1.9910548785286595
Energy: 2.097927697617879
Energy: 2.308938753184058
Energy: 2.003530689743716
Energy: 2.2481074937728507
Energy: 1.9594459529832677
Energy: 2.3177669661172042
Energy: 2.205693595032043
Energy: 1.9854480681531557
Energy: 1.9796199742133678
Energy: 2.2481074937737215
Energy: 1.9594459529832677
Energy: 2.3177669661172042
Energy: 2.205693595032043
Energy: 2.14995407924424
Energy: 1.9601624867795349
Energy: 2.240734463597427
Energy: 2.116196241281424
Energy: 2.242229420746647
Energy: 1.9599835372701349
Energy: 2.149954079365214
Energy: 1.9601624867795349
Energy: 2.240734463596556
Energy: 2.116196241281424

minimum gb energy = 1.959292985393347 eV
minimum distance =  2.40655777671718 Angstroms
sigma value = 41


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

Energy: 2.259082846983661
Energy: 2.09556146716656
Energy: 1.8830500553980647
Energy: 2.2000857306733623
Energy: 1.8826211222575437
Energy: 2.089929452900825
Energy: 2.259082846983661
Energy: 2.09556146716656
Energy: 1.8830500553980647
Energy: 2.116079679346543
Energy: 2.101891624113122
Energy: 2.118719361373027
Energy: 1.8828853878800729
Energy: 2.0838617308665275
Energy: 1.8970074023687795
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Energy: 1.882885387876695
Energy: 2.0838617308665275
Energy: 2.0707026255542744
Energy: 2.0772821392877407
Energy: 2.2043647074695456
Energy: 1.897937160490474
Energy: 1.8972504897494278
Energy: 2.2109222579470216
Energy: 2.0707026255542744
Energy: 2.077282139284363
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Energy: 1.897937160490474
Energy: 2.228210950556784
Energy: 2.060852998858244
Energy: 1.8970839684369931
Energy: 1.8980982931339627
Energy: 2.1196344596662122
Energy: 1.8821610740722439
Energy: 2.228210950556784
Energy: 2.060852998858244
Energy: 1.8970839684369931
Energy: 1.8980982931339627
Energy: 2.0422363250842808
Energy: 2.0409992366105203
Energy: 2.2801299174508807
Energy: 1.883061795248728
Energy: 2.23853873141148
Energy: 1.8825820262817883
Energy: 2.0422363250876585
Energy: 2.0409992366105203
Energy: 2.2801299174508807
Energy: 1.883061795248728
Energy: 2.1595556906358278
Energy: 2.0394138748448993
Energy: 2.108050376387944
Energy: 1.935188919311637
Energy: 2.111137943676975
Energy: 1.8970387764480066
Energy: 2.1595556906358278
Energy: 2.0394138748448993
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Energy: 1.935188919311637
Energy: 2.216136168770747
Energy: 2.076194944540643
Energy: 2.0762594695665375
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Energy: 1.8966055233378656
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Energy: 1.9042232184206216
Energy: 2.038554199573729
Energy: 2.086550199058286
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Energy: 1.8971161753598251
Energy: 1.953494553155948
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Energy: 2.0658783189736956
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Energy: 1.8982820274492838
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Energy: 2.040037609495846
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Energy: 1.8824505409890557
Energy: 2.0167834893554675
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Energy: 1.9700924136083904
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Energy: 2.090556122858811
Energy: 2.0931040916941677
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Energy: 1.8825395562543685
Energy: 2.2804671165546972
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Energy: 2.087805902734324
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Energy: 2.22192674157996
Energy: 1.8823349295533949
Energy: 2.087805902734324
Energy: 2.072308988900486
Energy: 2.0789747975988386
Energy: 2.204117712487785
Energy: 1.8969655330702864
Energy: 1.8971987095109344
Energy: 2.2113965247351355
Energy: 2.072308988900486
Energy: 2.0789747975988386
Energy: 2.204117712487785
Energy: 1.8969655330702864
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Energy: 2.040816506421619
Energy: 2.0444200220175546
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Energy: 2.070140757298062
Energy: 2.073033567752683
Energy: 2.208993757841804
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Energy: 1.8828356968494275
Energy: 2.0409194602137735
Energy: 2.043038093949471
Energy: 2.282350302332395
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Energy: 2.168913677869962
Energy: 2.0392616251069535
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Energy: 2.1075404339555335
Energy: 1.8969353698182996
Energy: 2.168913677869962
Energy: 2.0392616251069535
Energy: 2.2377351806717543
Energy: 1.896939963067206
Energy: 2.2117929258699895
Energy: 2.0724875193317223
Energy: 2.076186368576704
Energy: 2.2125781479963553
Energy: 1.8954793999339685
Energy: 1.896939963067206
Energy: 2.2117929258699895
Energy: 2.0724875193317223
Energy: 2.076186368576704
Energy: 2.117967668103173
Energy: 1.8824511641977997
Energy: 2.222945754232761
Energy: 1.9874334206719009
Energy: 1.8959936929899939
Energy: 1.8994666915457523
Energy: 2.117967668103173
Energy: 1.8824511641977997
Energy: 2.222945754232761
Energy: 1.9874334206719009
Energy: 2.2320573855965393
Energy: 1.8827467974506975
Energy: 2.0458349294523623
Energy: 2.0421912589457887
Energy: 2.044915444598103
Energy: 2.116532796818627
Energy: 2.2320573855965393
Energy: 1.8827467974506975
Energy: 2.0458349294523623
Energy: 2.0421912589457887
Energy: 2.1032900096254505
Energy: 1.896782116544814
Energy: 2.3649739038393225
Energy: 2.039049609803559
Energy: 2.1058582015875236
Energy: 1.9330588078457371
Energy: 2.1032900096254505
Energy: 1.896782116544814
Energy: 2.3649739038426696
Energy: 2.039049609803559

minimum gb energy = 1.8821610740722439 eV
minimum distance =  2.46454112227974 Angstroms
sigma value = 185


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

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Energy: 1.9922230708332807
Energy: 2.2790369262335974
Energy: 2.378153517220504
Energy: 2.2788540072627863
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Energy: 2.300409194395944
Energy: 1.9771843767884782
Energy: 2.315662046585591
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Energy: 1.9919542302220534
Energy: 1.9593666510945928
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Energy: 2.2454360831973528
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Energy: 2.3097188856544775
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Energy: 1.9908726505526424
Energy: 2.2938370415190317
Energy: 2.09068765379662
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Energy: 2.2207492849576305
Energy: 2.09068765379662
Energy: 2.2788215679643122
Energy: 2.048500732430795
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Energy: 1.9771194267104195
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Energy: 2.2786082596227955
Energy: 1.9530754015349334
Energy: 2.0033263645222408
Energy: 2.300409194395944
Energy: 1.9771194267104195
Energy: 2.2779696146973123
Energy: 2.2786082596227955
Energy: 1.9530754015349334
Energy: 2.389517404058607
Energy: 1.9916692369198188
Energy: 1.9398056524156329
Energy: 2.315662046585591
Energy: 1.9033640609487816
Energy: 2.245121134838013
Energy: 2.389517404062982
Energy: 1.9916692369198188
Energy: 1.9398056524196428
Energy: 2.315662046585591
Energy: 1.959443754390744
Energy: 1.9909241478870094
Energy: 1.9534137960028508
Energy: 2.3781651261073344
Energy: 1.9038260207922453
Energy: 2.256742484813198
Energy: 1.959443754390744
Energy: 1.9909241478870094
Energy: 1.9534137960028508
Energy: 2.3781651261073344
Energy: 2.277345994633108
Energy: 2.411165817017785
Energy: 1.9526786761591317
Energy: 2.3552297962711264
Energy: 2.3269951837723406
Energy: 1.9532905806544716
Energy: 2.277345994633108
Energy: 2.411165817017785
Energy: 1.9526786761591317
Energy: 2.355229796275136
Energy: 1.9917908430786906
Energy: 1.9403180162425135
Energy: 1.9903920420977301
Energy: 2.291684540313282
Energy: 2.1793892274601308
Energy: 1.9526427522960876
Energy: 1.9917908430786906
Energy: 1.9403180162385036
Energy: 1.9903920420977301
Energy: 2.291684540313282

minimum gb energy = 1.903055094232781 eV
minimum distance =  2.41487250427463 Angstroms
sigma value = 33


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

Energy: 2.2419314031980435
Energy: 2.0725819190158785
Energy: 2.0170069134597575
Energy: 2.4542872729688514
Energy: 2.113879780107661
Energy: 2.1142508569060663
Energy: 2.2419314031980435
Energy: 2.0725819190158785
Energy: 2.0170069134597575
Energy: 2.4305344725876394
Energy: 2.420982311879057
Energy: 2.217031951981751
Energy: 2.0166293835273756
Energy: 2.200299966600492
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Energy: 1.9768007442689095
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Energy: 2.339276769076332
Energy: 2.001369398879824
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Energy: 2.1095470266845373
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Energy: 1.9770218075717583
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Energy: 2.108557960472221
Energy: 2.0013530287027863
Energy: 2.1058983371217015
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minimum gb energy = 1.97436455782497 eV
minimum distance =  2.38680931955211 Angstroms
sigma value = 219


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

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Energy: 1.9001058284986159
Energy: 1.9009477434050894
Energy: 1.9788188957990418
Energy: 1.9007513299982242
Energy: 2.182354847956302

minimum gb energy = 1.8545416595034683 eV
minimum distance =  2.42470462037508 Angstroms
sigma value = 15


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

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minimum gb energy = 2.098295319047779 eV
minimum distance =  2.4169706846077 Angstroms
sigma value = 293


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

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Energy: 2.1445874028292886
Energy: 2.2278578207759137
Energy: 2.3278712274615203
Energy: 2.1461605459196558
Energy: 2.216164974653975
Energy: 2.1444263728113673
Energy: 2.2099462400919667
Energy: 2.1534219518257105
Energy: 2.3278712274615203
Energy: 2.1461605459196558
Energy: 2.216164974653975
Energy: 2.1444263728113673
Energy: 2.2036401370763703
Energy: 2.14692995808331
Energy: 2.223545337100507
Energy: 2.304093530257499
Energy: 2.14445099915141
Energy: 2.1446271128392147
Energy: 2.2036401370763703
Energy: 2.14692995808331
Energy: 2.223545337100507
Energy: 2.304093530257499
Energy: 2.2037769289450533
Energy: 2.300209948933829
Energy: 2.1602470909121805
Energy: 2.135540942537183
Energy: 2.2470407705155564
Energy: 2.1441634149473874
Energy: 2.2037769289450533
Energy: 2.300209948933829
Energy: 2.1602470909121805
Energy: 2.135540942537183
Energy: 2.211669419436982
Energy: 2.2191967489781033
Energy: 2.2262817952569383
Energy: 2.1825228415651425
Energy: 2.2631677186434107
Energy: 2.2361692113093388
Energy: 2.211669419436982
Energy: 2.2191967489781033
Energy: 2.2262817952569383
Energy: 2.1825228415651425
Energy: 2.1447717245706115
Energy: 2.1931989887344256
Energy: 2.244032141969633
Energy: 2.2010622901926564
Energy: 2.1747359879779986
Energy: 2.2615589838375034
Energy: 2.1447717245706115
Energy: 2.1931989887344256
Energy: 2.244032141969633
Energy: 2.2010622901926564
Energy: 2.1448766001623816
Energy: 2.3065093386726474
Energy: 2.3065278296053755
Energy: 2.1446382550336125
Energy: 2.196316901770553
Energy: 2.1964466155183167
Energy: 2.1448766001623816
Energy: 2.3065093386726474
Energy: 2.3065278296053755
Energy: 2.1446382550336125
Energy: 2.2011804696028627
Energy: 2.2439740937191446
Energy: 2.193125625484977
Energy: 2.144838403161277
Energy: 2.2620157921550867
Energy: 2.1746626501796174
Energy: 2.2011804696028627
Energy: 2.2439740937191446
Energy: 2.193125625484977
Energy: 2.144838403161277
Energy: 2.182485966118582
Energy: 2.2260326549833565
Energy: 2.219332310485853
Energy: 2.2116843855576414
Energy: 2.235644737858027
Energy: 2.2631367458420777
Energy: 2.182485966118582
Energy: 2.2260326549833565
Energy: 2.219332310485853
Energy: 2.2116843855576414
Energy: 2.1356364289272016
Energy: 2.1721445608444325
Energy: 2.300209948933829
Energy: 2.204872927726105
Energy: 2.144188517116302
Energy: 2.2470407705155564
Energy: 2.1356364289272016
Energy: 2.1721445608444325
Energy: 2.300209948933829
Energy: 2.204872927726105
Energy: 2.3037427321863015
Energy: 2.2239221033348424
Energy: 2.146917826724436
Energy: 2.203705179723656
Energy: 2.1446009960053987
Energy: 2.1442395329742534
Energy: 2.3037427321863015
Energy: 2.2239221033348424
Energy: 2.146917826724436
Energy: 2.203705179723656

minimum gb energy = 2.135540942537183 eV
minimum distance =  2.41578257579819 Angstroms
sigma value = 293


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

Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.0743704638034632
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.316218833694585
Energy: 1.9284543947137318
Energy: 2.3562023986543754
Energy: 1.9280211468239021
Energy: 1.922813268746685
Energy: 2.466186513911638
Energy: 1.9451054692187741
Energy: 1.928454394713137
Energy: 2.593149119048583
Energy: 1.9280211468239021
Energy: 1.922813268746685
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 2.437737408351045
Energy: 1.9758367599192719
Energy: 1.929054212068538
Energy: 1.9588717611610558
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 2.437737408343908
Energy: 1.9758367599192719
Energy: 2.464186913278857
Energy: 1.9768287083206628
Energy: 1.9235356449700576
Energy: 1.9588730054931758
Energy: 1.9290633018255707
Energy: 1.9758410568165305
Energy: 2.464186913278857
Energy: 1.9768287083212577
Energy: 1.9235356449694632
Energy: 1.9588730054931758
Energy: 1.9280525093304672
Energy: 2.351758896182885
Energy: 1.9287236559567482
Energy: 1.945118651929505
Energy: 2.4662377951972574
Energy: 2.0735114661716976
Energy: 1.9280525093298724
Energy: 2.35175889618229
Energy: 1.9287236559567482
Energy: 1.9451186519301
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.4670456542854273
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 2.466186513911638
Energy: 1.9451054692181793
Energy: 1.9284543947137318
Energy: 2.456100446976357
Energy: 1.9280211468233075
Energy: 1.922813268746685
Energy: 2.466186513911638
Energy: 1.9451054692187741
Energy: 1.928454394713137
Energy: 2.5931491190491776
Energy: 1.929054212068538
Energy: 1.9588717611610558
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 2.437737408343313
Energy: 1.9758367599192719
Energy: 1.929054212068538
Energy: 1.9588717611610558
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 1.929063301824976
Energy: 1.975841056815936
Energy: 2.464186913278857
Energy: 1.9768287083212577
Energy: 1.9235356449700576
Energy: 1.9588730054931758
Energy: 1.9290633018255707
Energy: 1.975841056815936
Energy: 2.464186913278857
Energy: 1.9768287083206628
Energy: 2.4662377951972574
Energy: 2.0735114661675613
Energy: 1.9280525093298724
Energy: 2.35175889618229
Energy: 1.9287236559567482
Energy: 1.945118651929505
Energy: 2.4662377951972574
Energy: 2.0275188265923143
Energy: 1.9280525093298724
Energy: 2.351758896182885
Energy: 1.9277458950079278
Energy: 2.4670456542848322
Energy: 1.9277340116557875
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.074370057394823
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9280211468233075
Energy: 1.922813268746685
Energy: 2.466186513911638
Energy: 1.9451054692187741
Energy: 1.9284543947143264
Energy: 2.3562023986543754
Energy: 1.9280211468239021
Energy: 1.922813268746685
Energy: 2.466186513911638
Energy: 1.9451054692187741
Energy: 2.4377374083314183
Energy: 1.975836759918677
Energy: 1.929054212068538
Energy: 1.9588717611610558
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 2.4377374083225245
Energy: 1.9758367599192719
Energy: 1.929054212068538
Energy: 1.9588717611610558
Energy: 1.9235356449694632
Energy: 1.9588730054931758
Energy: 1.9290633018255707
Energy: 1.975841056815936
Energy: 2.464186913278857
Energy: 1.9768287083206628
Energy: 1.9235356449694632
Energy: 1.9588730054931758
Energy: 1.9290633018255707
Energy: 1.975841056815936
Energy: 1.9287236559567482
Energy: 1.9451186519301
Energy: 2.4662377951972574
Energy: 2.068464792109724
Energy: 1.9280525093304672
Energy: 2.35175889618229
Energy: 1.9287236559567482
Energy: 1.945118651929505
Energy: 2.4662377951972574
Energy: 1.9450797205608241
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.4670456542848322
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.0743698910021577
Energy: 1.9284543947137318
Energy: 2.3562023986543754
Energy: 1.9280211468233075
Energy: 1.922813268746685
Energy: 2.466186513911638
Energy: 1.9451054692181793
Energy: 1.9284543947137318
Energy: 2.5931491190491776
Energy: 1.9280211468239021
Energy: 1.922813268746685
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 2.4377374083219294
Energy: 1.9758367599198663
Energy: 1.929054212068538
Energy: 1.9588717611610558
Energy: 1.923586891674179
Energy: 1.9768995908101041
Energy: 2.4377374083130086
Energy: 1.9758367599192719
Energy: 2.464186913278857
Energy: 1.9768287083212577
Energy: 1.9235356449694632
Energy: 1.9588730054931758
Energy: 1.9290633018255707
Energy: 1.975841056815936
Energy: 2.4641869132782634
Energy: 1.9768287083212577
Energy: 1.9235356449700576
Energy: 1.9588730054931758
Energy: 1.9280525093304672
Energy: 2.2903929987479374
Energy: 1.9287236559567482
Energy: 1.9451186519301
Energy: 2.4662377951972574
Energy: 1.9450797205608241
Energy: 1.9280525093304672
Energy: 2.35175889618229
Energy: 1.9287236559567482
Energy: 1.945118651929505
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 1.9277458950079278
Energy: 2.4670456542848322
Energy: 1.9277340116551929
Energy: 1.926381135605145
Energy: 1.9898067866214089
Energy: 1.9453625015515466
Energy: 2.466186513911638
Energy: 1.9451054692187741
Energy: 1.9284543947137318
Energy: 2.3562023986543754
Energy: 1.9280211468233075
Energy: 1.922813268746685
Energy: 2.466186513911638
Energy: 1.9451054692181793
Energy: 1.9284543947137318
Energy: 2.5931491190491776

minimum gb energy = 1.922813268746685 eV
minimum distance =  2.36962152313233 Angstroms
sigma value = 15


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

Energy: 2.407724901949438
Energy: 2.1678409809514756
Energy: 2.190842915680131
Energy: 2.370331216164132
Energy: 2.1908444660400934
Energy: 2.1968064115100927
Energy: 2.407724901949438
Energy: 2.1678409809514756
Energy: 2.190842915680131
Energy: 2.2707305083654803
Energy: 2.3862451660959287
Energy: 2.269113616632256
Energy: 2.1889335489588895
Energy: 2.2256393589477916
Energy: 2.365110104781464
Energy: 2.207532519391617
Energy: 2.3862451660959287
Energy: 2.269113616632256
Energy: 2.1889335489588895
Energy: 2.2256393589477916
Energy: 2.184724678131191
Energy: 2.2029165536030577
Energy: 2.1694222430776757
Energy: 2.209314831788499
Energy: 2.2637719801839915
Energy: 2.297088986312657
Energy: 2.184724678131191
Energy: 2.2029165536030577
Energy: 2.1694222430776757
Energy: 2.20931483179144
Energy: 2.3177419108836634
Energy: 2.2021896436063852
Energy: 2.231453320443503
Energy: 2.170146084203614
Energy: 2.2577415176056266
Energy: 2.207670806482945
Energy: 2.3177419108836634
Energy: 2.2021896436063852
Energy: 2.231453320443503
Energy: 2.170146084203614
Energy: 2.1780971362823003
Energy: 2.282424136044731
Energy: 2.2072325849086245
Energy: 2.281693833780601
Energy: 2.2032179917306443
Energy: 2.2372494722385614
Energy: 2.1780971362823003
Energy: 2.282424136044731
Energy: 2.2072325849086245
Energy: 2.281693833780601
Energy: 2.1784230205247677
Energy: 2.167439082371775
Energy: 2.2008015278054573
Energy: 2.259153709725011
Energy: 2.2039917752640785
Energy: 2.1916419544737926
Energy: 2.1784230205247677
Energy: 2.167439082371775
Energy: 2.2008015278054573
Energy: 2.259153709725011
Energy: 2.2800664943756614
Energy: 2.2394947321149803
Energy: 2.228554890727181
Energy: 2.3808414385949117
Energy: 2.202278324805084
Energy: 2.194789068886155
Energy: 2.2800664943726714
Energy: 2.2394947321149803
Energy: 2.2285548907241908
Energy: 2.3808414385949117
Energy: 2.1985216076841927
Energy: 2.221806287819988
Energy: 2.224106467621364
Energy: 2.199311530085748
Energy: 2.2775880678939333
Energy: 2.1966350848621667
Energy: 2.1985216076841927
Energy: 2.221806287819988
Energy: 2.224106467621364
Energy: 2.199311530085748
Energy: 2.197358975261118
Energy: 2.38150040145401
Energy: 2.344413128661017
Energy: 2.1956637915198662
Energy: 2.273652562470857
Energy: 2.264777305269942
Energy: 2.197358975261118
Energy: 2.3815004014515595
Energy: 2.344413128661017
Energy: 2.1956637915198662
Energy: 2.20241990184047
Energy: 2.23098591545849
Energy: 2.2226081785765976
Energy: 2.1620307664933804
Energy: 2.2026827704252088
Energy: 2.2297909962445632
Energy: 2.20241990184047
Energy: 2.23098591545849
Energy: 2.2226081785765976
Energy: 2.1620307664933804
Energy: 2.2202484792927155
Energy: 2.223888975900439
Energy: 2.238872861333909
Energy: 2.2209956377053137
Energy: 2.170545255302453
Energy: 2.235352616321316
Energy: 2.2202484792927155
Energy: 2.223888975900439
Energy: 2.238872861333909
Energy: 2.2209956377053137
Energy: 2.2081196787002417
Energy: 2.2078561600572018
Energy: 2.31053301875719
Energy: 2.208825599376746
Energy: 2.267705532624537
Energy: 2.2120577401019874
Energy: 2.2081196787002417
Energy: 2.2078561600572018
Energy: 2.31053301875719
Energy: 2.208825599376746
Energy: 2.2560278029743412
Energy: 2.172566521525114
Energy: 2.163027251663932
Energy: 2.177558812385922
Energy: 2.2354234626653136
Energy: 2.195717651640503
Energy: 2.2560278029743412
Energy: 2.172566521525114
Energy: 2.163027251663932
Energy: 2.177558812385922
Energy: 2.1673683897579834
Energy: 2.275023373913056
Energy: 2.2206460552811045
Energy: 2.391137627333083
Energy: 2.3562190341180025
Energy: 2.1842383369757923
Energy: 2.1673683897579834
Energy: 2.275023373913056
Energy: 2.2206460552811045
Energy: 2.391137627333083
Energy: 2.199140589040859
Energy: 2.219028571800145
Energy: 2.1962900677886608
Energy: 2.2399641488513957
Energy: 2.194905028153134
Energy: 2.2635549875017364
Energy: 2.199140589040859
Energy: 2.219028571800145
Energy: 2.1962900677886608
Energy: 2.2399641488513957
Energy: 2.246359433679962
Energy: 2.1990912362864194
Energy: 2.4473130013055027
Energy: 2.3060551187555696
Energy: 2.196722956698131
Energy: 2.318991078118776
Energy: 2.246359433679962
Energy: 2.1990912362864194
Energy: 2.4473130013055027
Energy: 2.3060551187555696
Energy: 2.2461858964897643
Energy: 2.189217450195445
Energy: 2.2377532328054306
Energy: 2.2490919569247416
Energy: 2.166362154765107
Energy: 2.199492276155279
Energy: 2.2461858964897643
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Energy: 2.2377532328054306
Energy: 2.2490919569247416
Energy: 2.1767243485749295
Energy: 2.354714185563471
Energy: 2.2705409057802104
Energy: 2.2589564612564454
Energy: 2.241745316369978
Energy: 2.196611889638079
Energy: 2.1767243485749295
Energy: 2.354714185563471
Energy: 2.2705409057802104
Energy: 2.2589564612564454
Energy: 2.241483791629545
Energy: 2.1812667487037336
Energy: 2.1950051382913944
Energy: 2.163546492766405
Energy: 2.204774797170236
Energy: 2.2629319596394613
Energy: 2.241483791629545
Energy: 2.1812667487037336
Energy: 2.1950051382913944
Energy: 2.163546492766405
Energy: 2.1691742629000434
Energy: 2.2211383529030253
Energy: 2.197143818296724
Energy: 2.167351129278077
Energy: 2.195964757411508
Energy: 2.2347328789687517
Energy: 2.1691742629000434
Energy: 2.2211383529030253
Energy: 2.197143818296724
Energy: 2.167351129278077
Energy: 2.207754877665891
Energy: 2.19530496203634
Energy: 2.2011708808513504
Energy: 2.1928051786328395
Energy: 2.31742098893549
Energy: 2.2265411589127524
Energy: 2.207754877665891
Energy: 2.19530496203634
Energy: 2.2011708808513504
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Energy: 2.256250485698364
Energy: 2.202693760031289
Energy: 2.220292683415812
Energy: 2.1773742485839445
Energy: 2.2378507736196354
Energy: 2.2010033657094756
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Energy: 2.202693760031289
Energy: 2.220292683412871
Energy: 2.1773742485839445
Energy: 2.298010946196091
Energy: 2.2065266654402347
Energy: 2.199422738883676
Energy: 2.2595690928243535
Energy: 2.383112578289999
Energy: 2.2074813242942186
Energy: 2.298010946196091
Energy: 2.2065266654402347
Energy: 2.199422738883676
Energy: 2.259569092827049
Energy: 2.199712512744515
Energy: 2.2689655649333034
Energy: 2.164243395100532
Energy: 2.1648705324135604
Energy: 2.2218140169932017
Energy: 2.1626290410238775
Energy: 2.199712512744515
Energy: 2.2689655649333034
Energy: 2.164243395100532
Energy: 2.1648705324135604
Energy: 2.193640151757776
Energy: 2.2023423200094365
Energy: 2.2593182285865567
Energy: 2.2177298323172243
Energy: 2.239323651129266
Energy: 2.2815203087855633
Energy: 2.193640151757776
Energy: 2.2023423200094365
Energy: 2.2593182285865567
Energy: 2.2177298323172243
Energy: 2.2504770274622614
Energy: 2.2209360150735757
Energy: 2.233619725122074
Energy: 2.2018794875921017
Energy: 2.1865445593943713
Energy: 2.2222938380348336
Energy: 2.2504770274649575
Energy: 2.2209360150735757
Energy: 2.233619725122074
Energy: 2.2018794875921017
Energy: 2.2499606182869134
Energy: 2.1865595365835215
Energy: 2.244817990272014
Energy: 2.197062181367698
Energy: 2.2539567845636013
Energy: 2.222805036316743
Energy: 2.2499606182869134
Energy: 2.1865595365835215
Energy: 2.2448179902747096
Energy: 2.197062181367698
Energy: 2.2268011333408673
Energy: 2.2422454830621183
Energy: 2.214042264395779
Energy: 2.258493262935053
Energy: 2.1675561635254246
Energy: 2.3363600307637005
Energy: 2.2268011333408673
Energy: 2.2422454830621183
Energy: 2.214042264395779
Energy: 2.258493262935053
Energy: 2.3086637625553936
Energy: 2.2221481487302346
Energy: 2.194801463601294
Energy: 2.3289399593061497
Energy: 2.16690644192932
Energy: 2.1848031959430956
Energy: 2.3086637625553936
Energy: 2.2221481487302346
Energy: 2.194801463601294
Energy: 2.328939959303699
Energy: 2.224957676623233
Energy: 2.5010985659761373
Energy: 2.1810216187066542
Energy: 2.169897447413902
Energy: 2.375847892740808
Energy: 2.3349049694553674
Energy: 2.224957676623233
Energy: 2.5010985659761373
Energy: 2.1810216187066542
Energy: 2.169897447413902
Energy: 2.1666068704622217
Energy: 2.1967813940830783
Energy: 2.21805328013688
Energy: 2.1663592936559364
Energy: 2.2209937724215085
Energy: 2.327469036608697
Energy: 2.1666068704622217
Energy: 2.1967813940830783
Energy: 2.21805328013688
Energy: 2.1663592936559364
Energy: 2.2922406489069833
Energy: 2.2030176785346285
Energy: 2.2240698137449746
Energy: 2.2413476271355526
Energy: 2.2095043672737242
Energy: 2.3383087200107777
Energy: 2.2922406489069833
Energy: 2.2030176785346285
Energy: 2.2240698137449746
Energy: 2.2413476271355526
Energy: 2.2596142905964247
Energy: 2.1810908468977934
Energy: 2.2095739237325724
Energy: 2.249149639585972
Energy: 2.232339192546322
Energy: 2.2219913276625367
Energy: 2.2596142905964247
Energy: 2.1810908468977934
Energy: 2.2095739237325724
Energy: 2.249149639585972
Energy: 2.259386363309537
Energy: 2.1833989903569235
Energy: 2.1973653203048635
Energy: 2.2503895806580294
Energy: 2.2128286300448425
Energy: 2.250407324325143
Energy: 2.259386363309537
Energy: 2.1833989903569235
Energy: 2.1973653203048635
Energy: 2.2503895806580294
Energy: 2.2954637383421925
Energy: 2.226012958926243
Energy: 2.234523048752354
Energy: 2.2418688402408025
Energy: 2.222610280721076
Energy: 2.1966769052135002
Energy: 2.2954637383421925
Energy: 2.226012958926243
Energy: 2.234523048752354
Energy: 2.2418688402408025
Energy: 2.1671946825225166
Energy: 2.1958992267705244
Energy: 2.2217521399024305
Energy: 2.1674538755384454
Energy: 2.2701192508045516
Energy: 2.2024920726502155
Energy: 2.1671946825225166
Energy: 2.1958992267705244
Energy: 2.2217521399024305
Energy: 2.1674538755384454
Energy: 2.2114251815395525
Energy: 2.3016968278401837
Energy: 2.38419353389597
Energy: 2.2113506808572514
Energy: 2.1778223840937105
Energy: 2.2599682499908305
Energy: 2.2114251815395525
Energy: 2.3016968278401837
Energy: 2.38419353389597
Energy: 2.2113506808572514
Energy: 2.1772590189572685
Energy: 2.221978550864594
Energy: 2.2077229680186266
Energy: 2.2275057664180666
Energy: 2.1940600870152207
Energy: 2.221435066205582
Energy: 2.1772590189572685
Energy: 2.221978550864594
Energy: 2.2077229680186266
Energy: 2.2275057664180666
Energy: 2.3359386918135843
Energy: 2.2773745937617518
Energy: 2.1735901736143046
Energy: 2.2768541951218273
Energy: 2.2060869318215732
Energy: 2.2105965194330737
Energy: 2.3359386918162803
Energy: 2.2773745937617518
Energy: 2.1735901736143046
Energy: 2.2768541951218273
Energy: 2.2507348156185776
Energy: 2.2221124469603297
Energy: 2.1627584992661606
Energy: 2.20249017104317
Energy: 2.2569423309113636
Energy: 2.1661571276809624
Energy: 2.2507348156185776
Energy: 2.2221124469603297
Energy: 2.1627584992661606
Energy: 2.20249017104317
Energy: 2.2643961847668956
Energy: 2.239040759445987
Energy: 2.2137123319428036
Energy: 2.1920309598823953
Energy: 2.2312044400592517
Energy: 2.2235501308707324
Energy: 2.2643961847668956
Energy: 2.239040759445987
Energy: 2.2137123319428036
Energy: 2.1920309598823953
Energy: 2.1989017500050436
Energy: 2.272307041498368
Energy: 2.2386876237407223
Energy: 2.2366142520747925
Energy: 2.253843548555872
Energy: 2.195529680495295
Energy: 2.1989017500050436
Energy: 2.272307041498368
Energy: 2.2386876237407223
Energy: 2.2366142520747925
Energy: 2.1951739541221906
Energy: 2.162673919028423
Energy: 2.2224653454626866
Energy: 2.24900263059544
Energy: 2.1706829652681683
Energy: 2.2301153602208243
Energy: 2.1951739541221906
Energy: 2.162673919028423
Energy: 2.2224653454626866
Energy: 2.24900263059544
Energy: 2.2333606944838293
Energy: 2.200585982300798
Energy: 2.302736793760708
Energy: 2.464857945903478
Energy: 2.1951809945481697
Energy: 2.203992734420391
Energy: 2.2333606944838293
Energy: 2.200585982300798
Energy: 2.302736793760708
Energy: 2.464857945903478
Energy: 2.256334574443701
Energy: 2.204563648390486
Energy: 2.2400785982133185
Energy: 2.1776544927516235
Energy: 2.220279751400104
Energy: 2.2017999684817733
Energy: 2.256334574443701
Energy: 2.204563648390486
Energy: 2.2400785982133185
Energy: 2.1776544927516235
Energy: 2.20626531460543
Energy: 2.3438808051647837
Energy: 2.382564453794942
Energy: 2.2084292283717715
Energy: 2.248108432399329
Energy: 2.193347973022109
Energy: 2.20626531460543
Energy: 2.3438808051647837
Energy: 2.382564453794942
Energy: 2.2084292283717715
Energy: 2.1736524884611015
Energy: 2.2339551471235968
Energy: 2.19628272488467
Energy: 2.21890279317055
Energy: 2.164489979997348
Energy: 2.254910562598446
Energy: 2.1736524884611015
Energy: 2.2339551471235968
Energy: 2.19628272488467
Energy: 2.21890279317055
Energy: 2.240914555598864
Energy: 2.258994819216142
Energy: 2.2207813350712367
Energy: 2.31619486555961
Energy: 2.1978315610489987
Energy: 2.1771137334863915
Energy: 2.240914555598864
Energy: 2.258994819216142
Energy: 2.2207813350712367
Energy: 2.31619486555961
Energy: 2.2478905210142965
Energy: 2.188430686782128
Energy: 2.19794876715152
Energy: 2.259146055093753
Energy: 2.2177392221680323
Energy: 2.2386544548698737
Energy: 2.2478905210142965
Energy: 2.188430686782128
Energy: 2.19794876715152
Energy: 2.259146055093753

minimum gb energy = 2.1620307664933804 eV
minimum distance =  2.43567242642902 Angstroms
sigma value = 437


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

Energy: 2.174965536373381
Energy: 2.221492087824369
Energy: 2.0995841349227584
Energy: 2.320627420143779
Energy: 2.09957475480963
Energy: 2.249617390362284
Energy: 2.174965536373381
Energy: 2.221492087824369
Energy: 2.0995841349227584
Energy: 2.215108527922834
Energy: 2.219758440007616
Energy: 2.351732966533263
Energy: 2.1240950913838463
Energy: 2.2069775459222827
Energy: 2.2893191989549493
Energy: 2.2375727778380425
Energy: 2.219758440007616
Energy: 2.351732966533263
Energy: 2.1240950913838463
Energy: 2.2069775459232646
Energy: 2.193379066303724
Energy: 2.072703489215247
Energy: 2.4490943602570883
Energy: 2.1107932904447044
Energy: 2.2461966419642594
Energy: 2.1125911963206434
Energy: 2.1933790663047064
Energy: 2.072703489214265
Energy: 2.4490943601589157
Energy: 2.110793290446668
Energy: 2.4754793928676526
Energy: 2.100154828403568
Energy: 2.0942094136488207
Energy: 2.2211890237162812
Energy: 2.0971117337912366
Energy: 2.238090370080136
Energy: 2.4754793928676526
Energy: 2.100154828403568
Energy: 2.0942094136478384
Energy: 2.2211890237162812
Energy: 2.2128373674788917
Energy: 2.426217204139922
Energy: 2.0944536150830553
Energy: 2.225629772439118
Energy: 2.2036732029208643
Energy: 2.191319994765043
Energy: 2.2128373674779094
Energy: 2.426217204139922
Energy: 2.0944536150830553
Energy: 2.225629772439118
Energy: 2.2121054420583213
Energy: 2.2299311696874664
Energy: 2.1540372795034353
Energy: 2.2340514766001576
Energy: 2.141914427285036
Energy: 2.2087154431136513
Energy: 2.2121054420583213
Energy: 2.2299311696874664
Energy: 2.1540372795034353
Energy: 2.2340514766011395
Energy: 2.244473703753879
Energy: 2.0670801451512384
Energy: 2.3282329386750327
Energy: 2.2264645088555652
Energy: 2.093474613094298
Energy: 2.0719715706815216
Energy: 2.244473703753879
Energy: 2.0670801451512384
Energy: 2.328232938676015
Energy: 2.2264645088565476
Energy: 2.188471580549558
Energy: 2.068118153609233
Energy: 2.0953114511892483
Energy: 2.220975162691174
Energy: 2.2436440533127215
Energy: 2.099978340202627
Energy: 2.188471580549558
Energy: 2.068118153609233
Energy: 2.0953114511892483
Energy: 2.220975162692156
Energy: 2.2119184464912487
Energy: 2.2300419292896
Energy: 2.276680574223231
Energy: 2.476871321883819
Energy: 2.1001271509311303
Energy: 2.262827811836961
Energy: 2.211918446490267
Energy: 2.2300419292886176
Energy: 2.2766805742242133
Energy: 2.476871321883819
Energy: 2.1630516919036213
Energy: 2.1227949781418287
Energy: 2.144331898028177
Energy: 2.199595142300492
Energy: 2.1234575656676937
Energy: 2.304423113226771
Energy: 2.1630516919016576
Energy: 2.1227949781418287
Energy: 2.144331898028177
Energy: 2.1995951423014737
Energy: 2.2754067473828714
Energy: 2.2290788690617513
Energy: 2.0950096541176926
Energy: 2.2618312175243065
Energy: 2.4019775858165464
Energy: 2.0675442099976733
Energy: 2.2754067473828714
Energy: 2.2290788690627337
Energy: 2.0950096541176926
Energy: 2.2618312175233246
Energy: 2.2002993996257185
Energy: 2.0677021388529635
Energy: 2.325542307882934
Energy: 2.0688734980286205
Energy: 2.3263921268012093
Energy: 2.0681084488934918
Energy: 2.2002993996257185
Energy: 2.0677021388529635
Energy: 2.3255423078848976
Energy: 2.0688734980276386
Energy: 2.273423850446198
Energy: 2.0674433818589546
Energy: 2.401977585815564
Energy: 2.2618311999855987
Energy: 2.0949623426128117
Energy: 2.2290461092466702
Energy: 2.273423850446198
Energy: 2.0674433818579723
Energy: 2.4019775858165464
Energy: 2.2618311999855987
Energy: 2.161694995652006
Energy: 2.3043766133177987
Energy: 2.123589030040647
Energy: 2.199611644066304
Energy: 2.154033084088865
Energy: 2.137350584487678
Energy: 2.161694995652006
Energy: 2.304376613319763
Energy: 2.123589030039664
Energy: 2.199611644066304

minimum gb energy = 2.0670801451512384 eV
minimum distance =  2.41277800512482 Angstroms
sigma value = 33