Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_003
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=3.158251941204071
cohesive_energy=6.380583344111484
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: 0.0 eV

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

Energy: 0.01833350865243059
Energy: 0.041630539759390545
Energy: 0.028147700218627714
Energy: 2.8820548516050417
Energy: 0.028147700216733868
Energy: 0.041630539759390545
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700218627714
Energy: 2.8820548516050417
Energy: 1.220764658366498
Energy: 0.04374524963490303
Energy: 0.02183670749336614
Energy: 1.2110999555408213
Energy: 0.02183670749147229
Energy: 0.04374524963490303
Energy: 1.220764658366498
Energy: 0.04374524963490303
Energy: 0.02183670749336614
Energy: 1.2110999555408213
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700216733868
Energy: 2.882054851603148
Energy: 0.028147700218627714
Energy: 0.041630539759390545
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700218627714
Energy: 2.8820548516050417
Energy: 1.220764658366498
Energy: 0.04374524963490303
Energy: 0.02183670749336614
Energy: 1.2110999555408213
Energy: 0.02183670749336614
Energy: 0.043745249633009194
Energy: 1.220764658366498
Energy: 0.043745249633009194
Energy: 0.02183670749336614
Energy: 1.2110999555408213
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700218627714
Energy: 2.882054851603148
Energy: 0.028147700216733868
Energy: 0.041630539759390545
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700216733868
Energy: 2.8820548516050417
Energy: 1.220764658366498
Energy: 0.04374524963490303
Energy: 0.02183670749336614
Energy: 1.2110999555408213
Energy: 0.02183670749147229
Energy: 0.043745249633009194
Energy: 1.220764658366498
Energy: 0.043745249633009194
Energy: 0.02183670749336614
Energy: 1.2110999555408213
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700218627714
Energy: 2.8820548516050417
Energy: 0.028147700216733868
Energy: 0.041630539759390545
Energy: 0.018333508650536744
Energy: 0.041630539759390545
Energy: 0.028147700218627714
Energy: 2.8820548516050417

minimum gb energy = 0.018333508650536744 eV
minimum distance =  2.56263999360742 Angstroms
sigma value = 3


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

Energy: 2.320989232291719
Energy: 2.307095528984395
Energy: 2.2470439951887893
Energy: 2.4475702916433146
Energy: 2.2470934997532783
Energy: 2.3070546736376687
Energy: 2.320989232290791
Energy: 2.307095528983467
Energy: 2.2470439951869334
Energy: 2.4475702916437783
Energy: 2.1928789088563323
Energy: 2.2285242195168857
Energy: 2.037798821235642
Energy: 2.2666119138663174
Energy: 2.152377228761793
Energy: 2.096209892679867
Energy: 2.1928789088567964
Energy: 2.2285242195168857
Energy: 2.037798821238383
Energy: 2.266611913860287
Energy: 2.0815394731948076
Energy: 2.1004681599190778
Energy: 2.147624069305163
Energy: 2.141497644028968
Energy: 2.2288994955936774
Energy: 2.12933263373581
Energy: 2.0815394731948076
Energy: 2.1004681599176864
Energy: 2.1476240693065543
Energy: 2.1414976440285045
Energy: 2.11424910080574
Energy: 1.9926702226206077
Energy: 2.121887055457096
Energy: 2.1188910697365606
Energy: 2.12119257872952
Energy: 2.1184304405191203
Energy: 2.11424910080574
Energy: 1.992670283726081
Energy: 2.121887055458909
Energy: 2.1188910697365606
Energy: 2.1403132213413336
Energy: 2.1268327267816325
Energy: 2.1148701112185804
Energy: 2.1224442368866696
Energy: 2.123565697084251
Energy: 2.155866552038354
Energy: 2.140313221340869
Energy: 2.1268327267816325
Energy: 2.1148701112185804
Energy: 2.1224442368899163
Energy: 2.126276517535684
Energy: 2.1310183563592098
Energy: 2.114186967537483
Energy: 2.112832454371929
Energy: 2.108251372514874
Energy: 2.1363957271553606
Energy: 2.1262765175398166
Energy: 2.131018356355963
Energy: 2.1141869675347
Energy: 2.1128324543714654
Energy: 2.1522222171257956
Energy: 2.125013511962349
Energy: 2.1845506066431115
Energy: 2.1544639351404955
Energy: 2.1208538119789977
Energy: 2.1094963477390865
Energy: 2.152222217128115
Energy: 2.1250135119609572
Energy: 2.1845506066431115
Energy: 2.154463935141423
Energy: 2.245692747318216
Energy: 2.248451057542645
Energy: 2.2956361009007216
Energy: 2.1444456743955107
Energy: 2.1000416370935056
Energy: 2.075831199207711
Energy: 2.245692747314969
Energy: 2.2484510575435728
Energy: 2.2956361009039687
Energy: 2.144445674395047
Energy: 2.2275096842897906
Energy: 2.0378959163693584
Energy: 2.310841850908787
Energy: 2.044285216126048
Energy: 2.238526362749706
Energy: 2.3858815273646994
Energy: 2.2275096842897906
Energy: 2.0378959163684303
Energy: 2.3108418509106428
Energy: 2.044285216121409
Energy: 2.2045456703840283
Energy: 2.2328112457775195
Energy: 2.449509187248895
Energy: 2.195275736178842
Energy: 2.2715133725887293
Energy: 2.279786043394705
Energy: 2.204545670380781
Energy: 2.2328112457752
Energy: 2.449509187249359
Energy: 2.1952757361779143
Energy: 2.093722790171859
Energy: 2.148875581507136
Energy: 2.219959887658922
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Energy: 2.1167325128545658
Energy: 2.115015974570714
Energy: 2.0937227901746422
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Energy: 2.219959887658922
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Energy: 2.1259742024225052
Energy: 2.120445244723844
Energy: 2.1168981916839145
Energy: 2.133517737021102
Energy: 2.116517640294509
Energy: 2.134358144190366
Energy: 2.125974202422969
Energy: 2.1204452447247712
Energy: 2.1168981916853062
Energy: 2.1335177370303793
Energy: 2.1712554134950857
Energy: 2.121549317086141
Energy: 2.1505182203843756
Energy: 2.105541662840855
Energy: 2.147320081907779
Energy: 2.1230622313908594
Energy: 2.1712554134932303
Energy: 2.121549317086141
Energy: 2.15051822038252
Energy: 2.1055416628385357
Energy: 2.106162904294317
Energy: 2.150518220387623
Energy: 2.1215325407676295
Energy: 2.1712927428819784
Energy: 2.1232096717068725
Energy: 2.147407201314663
Energy: 2.1061629042929253
Energy: 2.1505182203899422
Energy: 2.121532540769486
Energy: 2.1712927428815143
Energy: 2.133183376189706
Energy: 2.1167235946297636
Energy: 2.119433203544157
Energy: 2.12546603353962
Energy: 2.134373753914607
Energy: 2.1155130448991226
Energy: 2.133183376188314
Energy: 2.1167235946293
Energy: 2.1194332035455488
Energy: 2.125466033537301
Energy: 2.1542812341167257
Energy: 2.2202759813215356
Energy: 2.1484666686896055
Energy: 2.0940695396541367
Energy: 2.116101869970277
Energy: 2.116758154836852
Energy: 2.1542812341148703
Energy: 2.220275981322463
Energy: 2.1484666686933163
Energy: 2.0940695396536726
Energy: 2.1952352210818376
Energy: 2.44954327165183
Energy: 2.232890873845371
Energy: 2.2824311954806173
Energy: 2.2735671139736113
Energy: 2.3084672535760036
Energy: 2.195235221082301
Energy: 2.4495432716536856
Energy: 2.2328908738467623
Energy: 2.2824311954806173
Energy: 2.021371120850238
Energy: 2.311118828317102
Energy: 2.036990705505353
Energy: 2.235375383590522
Energy: 2.3848419531374727
Energy: 2.2384131195942745
Energy: 2.02137112085998
Energy: 2.3111188283184934
Energy: 2.0369907055099916
Energy: 2.235375383590986
Energy: 2.144695547072655
Energy: 2.2277586928520705
Energy: 2.248328119510034
Energy: 2.098932874656078
Energy: 2.0756275690825134
Energy: 2.099968923874542
Energy: 2.144695547073119
Energy: 2.2277586928506787
Energy: 2.24832811950957
Energy: 2.09893287465515
Energy: 2.154804849467193
Energy: 2.1848254525312583
Energy: 2.1253781479931138
Energy: 2.152306221325126
Energy: 2.109554044742757
Energy: 2.1205358209843688
Energy: 2.154804849469049
Energy: 2.1848254525312583
Energy: 2.125378147991722
Energy: 2.1523062213232707
Energy: 2.1126755469768153
Energy: 2.114086879287012
Energy: 2.1309999850202432
Energy: 2.1394014908048877
Energy: 2.1362427948978224
Energy: 2.111290378684149
Energy: 2.112675546975424
Energy: 2.114086879287012
Energy: 2.130999985019315
Energy: 2.139401490805351
Energy: 2.123176139287421
Energy: 2.1620084017511103
Energy: 2.1267517859164466
Energy: 2.1407918255254144
Energy: 2.1558665520374687
Energy: 2.1235047844583286
Energy: 2.1231761392878847
Energy: 2.1620084017455437
Energy: 2.1267517859155194
Energy: 2.1407918255263425
Energy: 2.1187893804812146
Energy: 2.121910219227842
Energy: 2.085782731511749
Energy: 2.113407904207199
Energy: 2.11863400436599
Energy: 2.1209437456323577
Energy: 2.1187893804812146
Energy: 2.1219102192273787
Energy: 2.085782731512677
Energy: 2.113407904207663
Energy: 2.1414976440224733
Energy: 2.147256983337743
Energy: 2.111770278863319
Energy: 2.081372643921578
Energy: 2.1091826895860692
Energy: 2.228909603652388
Energy: 2.1414976440210816
Energy: 2.1472569833382065
Energy: 2.111770278862391
Energy: 2.081372643920186
Energy: 2.2665114089390324
Energy: 2.0457568117068003
Energy: 2.2288793338316317
Energy: 2.0825511020817444
Energy: 2.096336029333556
Energy: 2.149032886499681
Energy: 2.2665114089404237
Energy: 2.0457568115333458
Energy: 2.2288793338311677
Energy: 2.082551101994532
Energy: 2.2225776276706113
Energy: 2.24709349975235
Energy: 2.3070546736316806
Energy: 2.3209892322884715
Energy: 2.3070955289816113
Energy: 2.247043995187861
Energy: 2.222577627688197
Energy: 2.247093499750959
Energy: 2.307054673633072
Energy: 2.320989232288935
Energy: 2.2666119138612144
Energy: 2.1523772287655047
Energy: 2.0962098926784756
Energy: 2.192878908854941
Energy: 2.228524219516421
Energy: 2.0377988212296114
Energy: 2.2666119138579672
Energy: 2.1523772287613294
Energy: 2.096209892680795
Energy: 2.192878908853549
Energy: 2.141497644025257
Energy: 2.228899495595533
Energy: 2.1293326337376657
Energy: 2.081539473194343
Energy: 2.1004681599172224
Energy: 2.14762406930006
Energy: 2.1414976440303595
Energy: 2.2288994955941415
Energy: 2.1293326337367375
Energy: 2.081539473194343
Energy: 2.1188910697365606
Energy: 2.1211925787309114
Energy: 2.118430440523295
Energy: 2.114249100809915
Energy: 1.9926705182620275
Energy: 2.121887055456632
Energy: 2.1188910697351693
Energy: 2.1211925787323027
Energy: 2.1184304405237593
Energy: 2.1142491008094515

minimum gb energy = 1.9926702226206077 eV
minimum distance =  2.56089515485958 Angstroms
sigma value = 75


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

Energy: 2.127585885195422
Energy: 2.0489782900110014
Energy: 1.9913558104519062
Energy: 2.0408968897637876
Energy: 2.0926155979814083
Energy: 2.037594565276944
Energy: 2.1275858851976857
Energy: 2.0489782900132645
Energy: 1.9913558104496425
Energy: 2.0408968897660515
Energy: 2.0640808211392345
Energy: 2.1055629681913306
Energy: 1.240158737888285
Energy: 2.0275585485440484
Energy: 1.9884012757223997
Energy: 2.193184105355838
Energy: 2.0640808211392345
Energy: 2.105562968186803
Energy: 1.2401587377774108
Energy: 2.027558548539521
Energy: 1.833966684500746
Energy: 2.066648478884233
Energy: 2.09067447982415
Energy: 2.099492823499787
Energy: 2.007096707003357
Energy: 2.0960698814852647
Energy: 1.833966684500746
Energy: 2.0666484788864965
Energy: 2.0906744798286767
Energy: 2.099492823499787
Energy: 2.060312071712709
Energy: 2.088840633664948
Energy: 2.0465871666971562
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Energy: 2.0949577180367855
Energy: 2.088364388496344
Energy: 2.0603120717104453
Energy: 2.088840633667212
Energy: 2.04658716669942
Energy: 2.0514694061117877
Energy: 2.067601634696081
Energy: 1.8419712349285065
Energy: 2.112738631291661
Energy: 1.9861581230846717
Energy: 2.125568450522407
Energy: 2.1405636816529543
Energy: 2.0676016346983443
Energy: 1.8419712349285065
Energy: 2.112738631298452
Energy: 1.986158123086894
Energy: 2.139249229412457
Energy: 1.8412293385150904
Energy: 2.2013869188711648
Energy: 2.155027922621302
Energy: 2.0363409317778585
Energy: 1.3089893492575313
Energy: 2.1392492294101935
Energy: 1.841229338517354
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Energy: 2.155027922621302
Energy: 1.9736843635263814
Energy: 0.7943307644920232
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Energy: 2.0125268120934003
Energy: 1.973684363528645
Energy: 0.794330764435475
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Energy: 1.2982933510741148
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Energy: 2.069716813901144
Energy: 1.4196465073131026
Energy: 2.0894930450028424
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Energy: 2.073292861439746
Energy: 2.0892653775327754
Energy: 2.0924040860804207
Energy: 1.9751859998898766
Energy: 2.0894930450028424
Energy: 1.8306990135930112
Energy: 2.073292861435219
Energy: 2.0892653775327754
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Energy: 2.1401591241660283
Energy: 2.0548483792346572
Energy: 2.1453554085796256
Energy: 2.1407953805963436
Energy: 2.093980867774386
Energy: 2.093312058793365
Energy: 2.140159124168292
Energy: 2.0548483792323937
Energy: 2.1453554085864166
Energy: 1.9995272093140146
Energy: 2.0862470884795825
Energy: 1.894370769537702
Energy: 2.0954258850062244
Energy: 2.061015920226947
Energy: 2.1943393776129776
Energy: 1.9995272093140146
Energy: 2.0862470884818456
Energy: 1.8943707695399654
Energy: 2.0593560175854653
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Energy: 1.9726705459104836
Energy: 1.962920027931728
Energy: 2.1209248826603058
Energy: 2.1318276233480695
Energy: 2.13858916072391
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Energy: 1.3154773467581171
Energy: 2.1224510029232766
Energy: 0.8056129908889779
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Energy: 2.1052115532936013
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Energy: 2.197910646340186
Energy: 2.0127431867725263
Energy: 2.193547589674134
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Energy: 1.8381901012073825
Energy: 2.092422629671698
Energy: 2.1457204162996004
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Energy: 1.3577913995854547
Energy: 1.931156302802681
Energy: 1.8599093977000891
Energy: 1.8644303944250453
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Energy: 2.144233365569251
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Energy: 1.9311563028004173
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Energy: 1.9625909679961493
Energy: 1.9536668800669106
Energy: 1.8602117043626563
Energy: 1.881378265604907
Energy: 1.3153014254241102
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Energy: 1.9625909679961493
Energy: 1.9536668800669106
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Energy: 2.161537537150845
Energy: 2.1048743776903134
Energy: 1.8372858943585169
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Energy: 2.01280530402706
Energy: 2.175710628122852
Energy: 2.1615375371485817
Energy: 2.1048743776880494
Energy: 1.8372858943539898
Energy: 2.0915454563552083
Energy: 2.1457204163041275
Energy: 2.090530682704176
Energy: 1.8816625066779398
Energy: 2.1618384248083764
Energy: 2.0629594374118754
Energy: 2.091545456352945
Energy: 2.145720416301864
Energy: 2.090530682704176
Energy: 1.881662506675676
Energy: 2.0589458085766426
Energy: 2.0933875969375695
Energy: 2.098705473513095
Energy: 2.0809587606590463
Energy: 2.0097072369369955
Energy: 1.9508808750524824
Energy: 2.058945808569852
Energy: 2.093387596939833
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Energy: 2.0809587606590463
Energy: 2.0765072380567418
Energy: 2.1199616209881262
Energy: 1.9932474773355935
Energy: 2.127706813286211
Energy: 2.1900262383175915
Energy: 2.106647093289243
Energy: 2.0765072380567418
Energy: 2.1199616209858627
Energy: 1.9932474773355935
Energy: 2.1277068132884747
Energy: 2.020029923270852
Energy: 2.1827037441522843
Energy: 1.2509055962975137
Energy: 1.9091123193531498
Energy: 0.8331645444450517
Energy: 2.040240926111372
Energy: 2.020029923275379
Energy: 2.147008928831052
Energy: 1.2509055962997775
Energy: 1.9091123193667312
Energy: 1.2539331848734407
Energy: 2.031151829234962
Energy: 2.0333149221109323
Energy: 2.126660271874584
Energy: 0.8486170931841402
Energy: 1.926860948993734
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minimum gb energy = 0.7926728845495353 eV
minimum distance =  2.52921750627121 Angstroms
sigma value = 105


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

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Energy: 2.2251264777469975
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Energy: 2.2297848017730737
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Energy: 2.1804702270628087
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Energy: 2.2038748744303667
Energy: 2.2038837020749664
Energy: 2.3255268642212066
Energy: 2.3182569759619986
Energy: 2.3050097718608478
Energy: 2.1351939657893086
Energy: 2.203874874435985
Energy: 2.2038837020729227
Energy: 2.325526864219674
Energy: 2.318256975960745
Energy: 2.2650842360828682
Energy: 2.1821636387563057
Energy: 2.2439194525409714
Energy: 2.2248513697670633
Energy: 2.1769494854251135
Energy: 2.2425579385259122
Energy: 2.265084236080314
Energy: 2.1821636387575594
Energy: 2.2439194525397177
Energy: 2.224851369763999
Energy: 2.2298348704991247
Energy: 2.2597097181912535
Energy: 2.24326370861963
Energy: 2.325595793475354
Energy: 2.249719704738505
Energy: 2.287027990489339
Energy: 2.229834870500657
Energy: 2.2597097181922745
Energy: 2.243263708617865
Energy: 2.3255957934779077
Energy: 2.234595613350048
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Energy: 2.349151843191221
Energy: 2.1600918514026883
Energy: 2.2674894423853305
Energy: 2.2345956133487483
Energy: 2.2524396133024442
Energy: 2.2469966062782656
Energy: 2.34915184319071

minimum gb energy = 1.9778963373375054 eV
minimum distance =  2.54134230469844 Angstroms
sigma value = 165


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

Energy: 2.3614078012060857
Energy: 2.4078496843076596
Energy: 2.2877452951923205
Energy: 2.3694566016762364
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Energy: 2.3051551646925987
Energy: 2.289200560090992
Energy: 2.352713459916924
Energy: 2.3072718109595463
Energy: 2.304102421592396
Energy: 2.3069545952058035
Energy: 2.305155164693476
Energy: 2.3099967943588204
Energy: 2.353463070279925
Energy: 2.4271087832878075
Energy: 2.3525303500920614
Energy: 2.3573005775934983
Energy: 2.310631766581344
Energy: 2.3099967943605737
Energy: 2.3534630702790484
Energy: 2.4271087832869305
Energy: 2.3525303500903076
Energy: 2.348580177508311
Energy: 2.291565022705801
Energy: 2.3050786650243467
Energy: 2.290286015810225
Energy: 2.3052085409664267
Energy: 2.2892262728126997
Energy: 2.3485801775091875
Energy: 2.291565022705801
Energy: 2.30507866502347
Energy: 2.290286015810225
Energy: 2.3561664462005316
Energy: 2.2878119581356406
Energy: 2.4078395283631826
Energy: 2.3614078012052087
Energy: 2.407849684308536
Energy: 2.2877452951923205
Energy: 2.3561664463083227
Energy: 2.2878119581356406
Energy: 2.4078395283640597
Energy: 2.3614078012078386

minimum gb energy = 2.287492207916558 eV
minimum distance =  2.53312400473586 Angstroms
sigma value = 41


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

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Energy: 1.6154773737347121
Energy: 1.671158995762043
Energy: 1.7697610129553898
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Energy: 1.6981259425863893
Energy: 1.69808910409235
Energy: 1.7950836020120322
Energy: 1.7550676512614731
Energy: 1.7536945475312191
Energy: 1.8291207594430754
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Energy: 1.698089104080785
Energy: 1.7950836020124032
Energy: 1.7550676512604837
Energy: 1.8114964482274727
Energy: 1.5540823474495147
Energy: 1.7984366825227154
Energy: 1.6999717203741744
Energy: 1.697586452714519
Energy: 1.67114416719699
Energy: 1.811496448230874
Energy: 1.5540823474501948
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Energy: 1.6999717203725049
Energy: 1.553409001898282
Energy: 1.6858069866365724
Energy: 1.6118277333037725
Energy: 1.6705492230528025
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Energy: 1.6697124189296355
Energy: 1.5534090018938291
Energy: 1.6858069866369432
Energy: 1.6118277333044526
Energy: 1.670549223054163
Energy: 1.7188452619276187
Energy: 1.5537689226933271
Energy: 1.809626189997243
Energy: 1.669902505857324
Energy: 1.707113218843056
Energy: 1.755490521837975
Energy: 1.7188452619272474
Energy: 1.553768922697718
Energy: 1.8096261899976138
Energy: 1.6699025058596741
Energy: 1.795985727216935
Energy: 1.7458244454178418
Energy: 1.6989602269106983
Energy: 1.8267869214773333
Energy: 1.7642382036342619
Energy: 1.753733809706934
Energy: 1.7959857272182955
Energy: 1.7458244454154914
Energy: 1.6989602269083481
Energy: 1.826786921476653
Energy: 1.6718751926944204
Energy: 1.8106997196873666
Energy: 1.5540021269508617
Energy: 1.7004277138677906
Energy: 1.7000567554116093
Energy: 1.7781302151372298
Energy: 1.6718751926960902
Energy: 1.810699719688047
Energy: 1.5540021269522222
Energy: 1.7004277138691513
Energy: 1.6691579288510685
Energy: 1.5491135668646852
Energy: 1.6858097557639886
Energy: 1.5497181043010027
Energy: 1.6795951847449946
Energy: 1.7628846822420692
Energy: 1.6691579288558303
Energy: 1.5491135668650562
Energy: 1.6858097557642975
Energy: 1.549718104304033
Energy: 1.701236329941731
Energy: 1.8501509099068878
Energy: 1.5543553686135756
Energy: 1.9008184866846647
Energy: 1.6692566829036184
Energy: 1.697597528222427
Energy: 1.7012363299478535
Energy: 1.8501509099170919
Energy: 1.554355368616606
Energy: 1.9008184866870768
Energy: 1.7558230928884848
Energy: 1.8691787326977822
Energy: 1.6989495597959303
Energy: 1.6981371617221919
Energy: 1.8684017290628758
Energy: 1.7134767148050607
Energy: 1.7558230928881755
Energy: 1.8691787327001943
Energy: 1.6989495597959303
Energy: 1.6981371617225012
Energy: 1.776258570045801
Energy: 1.6702134794328185
Energy: 1.8105476410885888
Energy: 1.6577903943092582
Energy: 1.7001567432493607
Energy: 1.7631572994291178
Energy: 1.7762585700471618
Energy: 1.6702134794338084
Energy: 1.8105476410902586
Energy: 1.6577903943089491
Energy: 1.6988434666737113
Energy: 1.6689031003025114
Energy: 1.6211500412992381
Energy: 1.5530625218792382
Energy: 1.5511881434818209
Energy: 1.6982608050172632
Energy: 1.6988434666727217
Energy: 1.6689031003056034
Energy: 1.6211500412958368
Energy: 1.5530625218747853
Energy: 1.7558718601664314
Energy: 1.755026589465942
Energy: 1.8570271192326346
Energy: 1.5538847523210275
Energy: 1.699299760114714
Energy: 1.669734948291273
Energy: 1.7558718601668024
Energy: 1.7550265894645816
Energy: 1.8570271192363454
Energy: 1.5538847523264696

minimum gb energy = 1.5455213507734915 eV
minimum distance =  2.5847366581221 Angstroms
sigma value = 185


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

Energy: 2.3177924216099823
Energy: 2.4797978329684245
Energy: 2.4569832222737644
Energy: 1.193182879228093
Energy: 2.4563626905253946
Energy: 2.3886649697204163
Energy: 2.317792421612809
Energy: 2.479797832969232
Energy: 2.4569832222737644
Energy: 1.193182878456013
Energy: 2.4193069530139506
Energy: 1.2533501396578508
Energy: 2.270444970210936
Energy: 2.370853469105585
Energy: 2.3730356668488963
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Energy: 2.3708534691072
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Energy: 2.4572201500027058
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Energy: 2.4572201500055324
Energy: 2.4924051985479645
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Energy: 2.352762678440428
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Energy: 2.2739663946796767
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Energy: 2.432444423758447
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Energy: 2.575511891597589
Energy: 2.3410739693523053
Energy: 2.2739663946780615
Energy: 2.3189001198217425
Energy: 2.432444423760062
Energy: 2.544910055036271
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Energy: 2.4980604717698496
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Energy: 2.467157958447569
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Energy: 2.3903888672165494
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Energy: 2.352707554855824
Energy: 2.4027841209703187
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Energy: 2.467526285787235
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Energy: 2.4231424126909236
Energy: 2.399607277801344
Energy: 2.402847876043862
Energy: 2.4675262857884466
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Energy: 2.4514595903835743
Energy: 2.2742471681861782
Energy: 2.475715712525183
Energy: 2.4219041124032836
Energy: 2.3479405557757556
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Energy: 2.4514595903831706
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Energy: 2.4757157125255866
Energy: 2.421904112404091
Energy: 2.4144238225973296
Energy: 2.4568081137490583
Energy: 2.3720106946416144
Energy: 2.5759862423517426
Energy: 2.479797832970847
Energy: 2.456983222268919
Energy: 2.4144238225924846
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Energy: 2.372010694642422
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Energy: 2.3708534691088152
Energy: 2.3730356668488963
Energy: 2.3479405557765634
Energy: 2.3796488247738075
Energy: 1.2533501396643114
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Energy: 2.370853469105989
Energy: 2.3730356668464734
Energy: 2.3479405557745445
Energy: 2.3796488247657686
Energy: 2.4755132988372166
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Energy: 2.3409831405968515
Energy: 2.3367261968232116
Energy: 2.3735687590133447
Energy: 2.3760288736661295
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Energy: 2.4028180848409373
Energy: 2.3409831405940253
Energy: 2.3367261968224042
Energy: 2.3172995338716866
Energy: 2.3613414949688334
Energy: 2.314311544995735
Energy: 2.492405198545542
Energy: 2.402513048367661
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Energy: 2.3172995338720903
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Energy: 2.3143115449896783
Energy: 2.492405198545138
Energy: 2.432444423758447
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Energy: 2.575511891595974
Energy: 2.341073969351094
Energy: 2.273966394679273
Energy: 2.3189001198237613
Energy: 2.4324444237568317
Energy: 2.4948282826451993
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Energy: 2.3410739693547273
Energy: 2.365138185136657
Energy: 2.3537907374912517
Energy: 2.4572084565373693
Energy: 2.4602847733091693
Energy: 2.4571172878337713
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Energy: 2.365138185141099
Energy: 2.3537907374952893
Energy: 2.4572084565381767
Energy: 2.4602847733051316
Energy: 2.4257163018427303
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Energy: 2.336666644481162
Energy: 2.403854076956037
Energy: 2.342934490556602
Energy: 2.4575583032095722
Energy: 2.4257163018415193
Energy: 2.457729692143404
Energy: 2.336666644482373
Energy: 2.403854076958056
Energy: 2.3903888672181646
Energy: 2.5754742852714028
Energy: 2.57613808525782
Energy: 2.4671579584455503
Energy: 2.382945261489863
Energy: 2.2731443750266527
Energy: 2.3903888672181646
Energy: 2.5754742852726142
Energy: 2.576138085254994
Energy: 2.4671579584451466
Energy: 2.540466970081723
Energy: 2.390972841816841
Energy: 2.3595952571014713
Energy: 2.3008906565741714
Energy: 2.352707554853402
Energy: 2.4027841209674916
Energy: 2.540466970084146
Energy: 2.3909728418180527
Energy: 2.359595257102279
Energy: 2.300890656572556
Energy: 2.411945443216077
Energy: 2.399607277799729
Energy: 2.402523318513489
Energy: 2.467526285788043
Energy: 2.2728893143636113
Energy: 2.430187198676132
Energy: 2.4119454432164815
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Energy: 2.4025233185130848
Energy: 2.46752628578562
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Energy: 2.310499627816845
Energy: 2.373090217570845
Energy: 2.3932798027303908
Energy: 2.31779242161079
Energy: 2.4797978329684245
Energy: 2.4569832222753796
Energy: 2.3817769832792384
Energy: 2.456362690526202
Energy: 2.3763443267698947
Energy: 2.317792421612809
Energy: 2.4797978329716543
Energy: 2.4569832222753796
Energy: 2.3817769832808535
Energy: 2.4193069530107207
Energy: 1.2533501396606774
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Energy: 2.370853469108008
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Energy: 2.3104996278152297
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Energy: 1.2533501396590623
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Energy: 2.3708534691072
Energy: 2.3367261968203854
Energy: 2.3854849139370318
Energy: 2.272889314362804
Energy: 2.45722015000311
Energy: 2.4028180848437635
Energy: 2.579581094328408
Energy: 2.3367261968224042
Energy: 2.3854849139430887
Energy: 2.2728893143624003
Energy: 2.45722015000311
Energy: 2.4924051985463493
Energy: 2.4029177962412454
Energy: 2.3527626784339675
Energy: 2.2591994501726997
Energy: 2.3613414949684293
Energy: 2.314311544990082
Energy: 2.4924051985463493
Energy: 2.4029177962412454
Energy: 2.3527626784359867
Energy: 2.259199450175527
Energy: 2.34107396935069
Energy: 2.273966394678465
Energy: 2.318900119820531
Energy: 2.4324444237568317
Energy: 2.4948282826451993
Energy: 2.5755118915967814
Energy: 2.341073969351094
Energy: 2.2739663946780615
Energy: 2.3189001198181085
Energy: 2.4324444237572354
Energy: 2.4752405651897047
Energy: 2.4571172878337713
Energy: 2.4526632283787957
Energy: 2.365138185141906
Energy: 2.3656920092341465
Energy: 2.457208456537773
Energy: 2.475240565190916
Energy: 2.4571172878349823
Energy: 2.4526632283771805
Energy: 2.3651381851370608
Energy: 2.4051797304696194
Energy: 2.5513565665989892
Energy: 2.4577080268245943
Energy: 2.425716301845153
Energy: 2.4577296921430007
Energy: 2.336666644492063
Energy: 2.405179730470023
Energy: 2.5513565666002007
Energy: 2.457708026822576
Energy: 2.4257163018427303
Energy: 2.467157958447569
Energy: 2.4593473580268963
Energy: 2.271314469516812
Energy: 2.3903888672181646
Energy: 2.575474285269384
Energy: 2.576138085256609
Energy: 2.467157958447569
Energy: 2.4593473580272995
Energy: 2.2713144695184266
Energy: 2.390388867220587
Energy: 2.30089065657619
Energy: 2.352707554857439
Energy: 2.4027841209658765
Energy: 2.5404669700793
Energy: 2.390972841817245
Energy: 2.359595257102279
Energy: 2.3008906565741714
Energy: 2.3527075548550167
Energy: 2.402784120969915
Energy: 2.54046697008253
Energy: 2.4675262857900613
Energy: 2.376028873669764
Energy: 2.430187198677343
Energy: 2.4231424126913277
Energy: 2.3996072778025557
Energy: 2.402847876040228
Energy: 2.4675262857916764
Energy: 2.3760288736701676
Energy: 2.430187198677747
Energy: 2.4231424126913277
Energy: 2.4514595903831706
Energy: 2.274247168184563
Energy: 2.475715712525183
Energy: 2.421904112402476
Energy: 2.3479405557745445
Energy: 2.3603680410986034
Energy: 2.451459590384382
Energy: 2.274247168182948
Energy: 2.4757157125255866
Energy: 2.4219041124036873

minimum gb energy = 1.193182878456013 eV
minimum distance =  2.51539693343504 Angstroms
sigma value = 33


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

Energy: 1.954058501360378
Energy: 2.339660404149841
Energy: 2.211879102699513
Energy: 1.9793592089901257
Energy: 2.211923736592953
Energy: 2.291136804718804
Energy: 1.954058501360378
Energy: 2.339660404149841
Energy: 2.211879102697296
Energy: 1.9793592089856924
Energy: 1.921982434265948
Energy: 2.2567036200681847
Energy: 2.21207395075105
Energy: 2.2442601632735237
Energy: 2.2383922614586225
Energy: 2.2392343241974175
Energy: 1.921982434270381
Energy: 2.256703620070401
Energy: 2.21207395075105
Energy: 2.2442601632735237
Energy: 2.3687993436448633
Energy: 2.209395871196224
Energy: 2.251865857943877
Energy: 1.8058743224310316
Energy: 2.237860123953702
Energy: 1.9763409913656937
Energy: 2.3687993436470807
Energy: 2.2093958711984407
Energy: 2.251865857943877
Energy: 1.8058743224310316
Energy: 2.237368633665129
Energy: 2.209670886668136
Energy: 2.207291515883026
Energy: 1.9399144753281017
Energy: 2.2592273377356835
Energy: 2.120478611330258
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Energy: 2.209670886668136
Energy: 2.207291515883026
Energy: 1.9399144753258852
Energy: 2.2090483589367347
Energy: 2.209578337188485
Energy: 2.2199289943024008
Energy: 2.160354312623523
Energy: 2.2211879238930647
Energy: 1.9718787910284297
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Energy: 2.2095783371907016
Energy: 2.2199289943024008
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Energy: 2.329766385180254
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Energy: 2.233576268633037
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Energy: 1.9099076203329366
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Energy: 1.911028421638062
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Energy: 1.9099188637632531
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Energy: 2.2116842935803884
Energy: 1.6306747411703357
Energy: 1.9894334147620871
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Energy: 1.6995236936694418
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Energy: 1.9483779527218539
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Energy: 2.2441321213750234
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Energy: 2.233154694577189
Energy: 2.368974174899102
Energy: 2.209284224660873
Energy: 2.336872283435024
Energy: 1.7996345686218227
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Energy: 2.22776881997919
Energy: 1.7908399407208773
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Energy: 2.2322014829133514
Energy: 1.9859695929930483
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Energy: 2.0786583437384327
Energy: 2.209573812051451
Energy: 1.9602027360363643
Energy: 1.971959548694003
Energy: 2.211405368122067
Energy: 2.209498934413717
Energy: 2.1992526187964465
Energy: 2.1084518945164477
Energy: 1.9602027360252816
Energy: 1.9719595486917865
Energy: 2.211405368122067
Energy: 2.209498934413717
Energy: 2.237560383621408
Energy: 2.2392619555909796
Energy: 2.1095441670362467
Energy: 2.209647806489361
Energy: 2.210423520283748
Energy: 2.233836807893347
Energy: 2.2375603836236246
Energy: 2.239261955593155
Energy: 2.1095441670340302
Energy: 2.2096478064827116
Energy: 2.238350320873912
Energy: 2.243696044936967
Energy: 2.211182145097393
Energy: 2.248028187686908
Energy: 2.3778150516949204
Energy: 2.275279472105373
Energy: 2.2383503208672626
Energy: 2.243696044936967
Energy: 2.21118214509296
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Energy: 2.211794493860467
Energy: 1.6641000968571429
Energy: 2.2118423134982055
Energy: 2.3948586367648397
Energy: 2.197519122938311
Energy: 1.6997219195505884
Energy: 2.2117944938626835
Energy: 1.664100096861576
Energy: 2.2118423134959895
Energy: 2.394858636762623
Energy: 2.2119836713264074
Energy: 2.24402069460222
Energy: 2.2386835966888396
Energy: 2.238280454662775
Energy: 2.2253026879133677
Energy: 2.257080969324454
Energy: 2.2119836713286243
Energy: 2.2440206945955694
Energy: 2.2386835966888396
Energy: 2.238280454660558
Energy: 2.2514967393518366
Energy: 1.6676632613455122
Energy: 2.237831347650166
Energy: 2.0589770389907263
Energy: 2.164970246371425
Energy: 2.209393152146741
Energy: 2.251496739354053
Energy: 1.667663261367638
Energy: 2.2378313476457325
Energy: 2.0589770389929423
Energy: 2.113015033151452
Energy: 1.9376661913537996
Energy: 2.2312677456498275
Energy: 1.9772178759392114
Energy: 2.0988427458834726
Energy: 2.2094343988253
Energy: 2.113015033155885
Energy: 1.937666191351583
Energy: 2.231267745647611
Energy: 1.9772178757486663
Energy: 2.2274391051473024
Energy: 1.7498015856105062
Energy: 2.040942957058256
Energy: 1.7907005290722036
Energy: 2.1991330482042386
Energy: 2.2093481474205507
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Energy: 2.236610367147996
Energy: 1.706610706150069
Energy: 2.2121424693761744
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Energy: 2.187619886094802
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Energy: 2.036429549184215
Energy: 2.264635664740438
Energy: 1.790694042722812
Energy: 2.189206023660201
Energy: 1.8100330886934635

minimum gb energy = 1.5084849482713192 eV
minimum distance =  2.50566916966356 Angstroms
sigma value = 219


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

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Energy: 1.749577514945987
Energy: 1.7502362213907383
Energy: 1.7516999613092
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Energy: 1.7006836328554757
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Energy: 1.7526160565852227
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Energy: 1.7046453395607715
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Energy: 1.751772102949101
Energy: 1.5652207001528646
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Energy: 1.5621227528463262
Energy: 1.7046453395607715
Energy: 1.7499629199000344
Energy: 1.7517721029505677
Energy: 1.7509565441479185
Energy: 1.7733561887117788
Energy: 1.7509808648689742
Energy: 1.9526943555431295
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Energy: 1.751597587382407
Energy: 1.7509565441479185
Energy: 1.7733561887117788
Energy: 1.7509808648689742
Energy: 1.9526943555431295

minimum gb energy = 1.5620276579336387 eV
minimum distance =  2.56213462139964 Angstroms
sigma value = 15


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

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minimum gb energy = 1.3595491971157427 eV
minimum distance =  2.52605578761883 Angstroms
sigma value = 293


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

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Energy: 2.4947630070036695
Energy: 2.724749420559354
Energy: 2.370476402538432
Energy: 2.5671399809757682
Energy: 2.4949372661149907
Energy: 2.5550956253878017
Energy: 2.6510872557487826
Energy: 2.665123805543165
Energy: 2.3704764025374376
Energy: 2.5671399809761
Energy: 2.4949372661153215
Energy: 2.5550956253878017
Energy: 2.595076649843002
Energy: 2.370881099968076
Energy: 2.6504685951030895
Energy: 2.508407188198735
Energy: 2.575226417112191
Energy: 2.4361903411553616
Energy: 2.5950766498420084
Energy: 2.3708810999684076
Energy: 2.650468595102758
Energy: 2.5084071881980723
Energy: 2.7329225626234583
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Energy: 2.4583421708183355
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Energy: 2.5869690099248484
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Energy: 2.73292256262379
Energy: 2.3706163009611894
Energy: 2.4583421708183355
Energy: 2.6421308127586927
Energy: 2.494196305143249
Energy: 2.8147357725624627
Energy: 2.5496596379114695
Energy: 2.4051011963510533
Energy: 2.6011393063215835
Energy: 2.4766682577042047
Energy: 2.4941963051429177
Energy: 2.8147357725617996
Energy: 2.5496596379111383
Energy: 2.40510119635006
Energy: 2.5166809957023
Energy: 2.4930222052341753
Energy: 2.4608636488041133
Energy: 2.6693347578972983
Energy: 2.5142206404280283
Energy: 2.5840243272254093
Energy: 2.5166809957023
Energy: 2.4930222052341753
Energy: 2.460863648803119
Energy: 2.6693347578969666
Energy: 2.50773982105694
Energy: 2.5282210811999564
Energy: 2.4384448177079854
Energy: 2.588750065787226
Energy: 2.3457947098727105
Energy: 2.684150822454739
Energy: 2.50773982105694
Energy: 2.528221081200619
Energy: 2.4384448177079854
Energy: 2.588750065787226
Energy: 2.508391372109387
Energy: 2.6781866191630535
Energy: 2.6781831296369085
Energy: 2.5083983514388986
Energy: 2.4855702275334797
Energy: 2.4856894063243162
Energy: 2.5083913721073987
Energy: 2.6781866191633847
Energy: 2.67818312963724
Energy: 2.5083983514392303
Energy: 2.5897030834633012
Energy: 2.4385686167145817
Energy: 2.528099693809972
Energy: 2.5076941577756977
Energy: 2.6839037324079538
Energy: 2.3459708708695355
Energy: 2.5897030834633012
Energy: 2.438568616713919
Energy: 2.5280996938086466
Energy: 2.5076941577760294
Energy: 2.66941558082014
Energy: 2.4608104446377026
Energy: 2.4930339686128478
Energy: 2.516677412718236
Energy: 2.584058925541553
Energy: 2.5144637408825186
Energy: 2.6694155808191455
Energy: 2.4608104446373713
Energy: 2.493033968613179
Energy: 2.5166774127175735
Energy: 2.4050957991376407
Energy: 2.5494511007827634
Energy: 2.8147357725608058
Energy: 2.49407551821775
Energy: 2.4766629176997492
Energy: 2.601139306325891
Energy: 2.4050957991379716
Energy: 2.5494511007827634
Energy: 2.8147357725611366
Energy: 2.494075518218413
Energy: 2.6421954243821038
Energy: 2.4585074572002013
Energy: 2.3705994808866495
Energy: 2.732851691837095
Energy: 2.5080885800360155
Energy: 2.587136463763015
Energy: 2.6421954243830976
Energy: 2.4585074571992074
Energy: 2.370599480887312
Energy: 2.7328516918387518

minimum gb energy = 1.9815754346753838 eV
minimum distance =  2.51911708516656 Angstroms
sigma value = 293


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

Energy: 1.5640449851673417
Energy: 1.8210556092115755
Energy: 1.8200503056075072
Energy: 2.995786648232664
Energy: 1.819922118614309
Energy: 1.878210409538865
Energy: 1.5640449851673417
Energy: 1.8210556092109769
Energy: 1.8200503056069086
Energy: 2.995786648231466
Energy: 1.8201337575447551
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Energy: 1.8777083813287077
Energy: 1.877389558957883
Energy: 1.5582426724100218
Energy: 2.8028364831765953
Energy: 1.5590822999884129
Energy: 1.879961713087179
Energy: 1.8213184663963446
Energy: 1.8773895589572844
Energy: 1.558242672409423
Energy: 2.8028364831777934
Energy: 1.5590822999884129
Energy: 2.8010466586244243
Energy: 1.5580476552615352
Energy: 1.8775781648423535
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Energy: 1.8202711369055622
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Energy: 1.8210556092109769
Energy: 2.7496770903545857
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Energy: 1.8201337575447551
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Energy: 1.8198351439863474
Energy: 1.8777083813281088
Energy: 2.749677090355185
Energy: 1.820112570248421
Energy: 1.8201337575441834
Energy: 2.444090908902071
Energy: 1.879961713087179
Energy: 1.8213184663963446
Energy: 1.8773895589566854
Energy: 1.558242672409423
Energy: 2.802836483175398
Energy: 1.5590822999884129
Energy: 1.879961713087179
Energy: 1.8213184663963446
Energy: 1.877389558957883
Energy: 1.558242672409423
Energy: 1.8799575888775497
Energy: 1.5591669842755722
Energy: 2.801046658623826
Energy: 1.5580476552615352
Energy: 1.8775781648423535
Energy: 1.821363813716428
Energy: 1.879957588876951
Energy: 1.5591669842761708
Energy: 2.8010466586226284
Energy: 1.5580476552615352
Energy: 2.749474510217974
Energy: 2.1928065090404374
Energy: 1.8199130691200358
Energy: 2.7213191499927953
Energy: 1.8202711369055622
Energy: 1.820104971751946
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Energy: 2.1928065090398383
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Energy: 1.5640449851673417
Energy: 1.8210556092115755
Energy: 1.8200503056075072
Energy: 2.893165867514824
Energy: 1.819922118614309
Energy: 1.8782104095376946
Energy: 1.8198351439845506
Energy: 1.87770838132751
Energy: 2.7496770903545857
Energy: 1.8201125702490197
Energy: 1.820133757545354
Energy: 2.444090908902071
Energy: 1.8198351439857483
Energy: 1.87770838132751
Energy: 2.749677090355185
Energy: 1.820112570248421
Energy: 2.8028364831777934
Energy: 1.5590822999866163
Energy: 1.8799617130877782
Energy: 1.8213184663963446
Energy: 1.8773895589566854
Energy: 1.5582426724100218
Energy: 2.8028364831771944
Energy: 1.5590822999890117
Energy: 1.879961713087179
Energy: 1.8213184663963446
Energy: 1.8775781648429524
Energy: 1.821363813716428
Energy: 1.8799575888775497
Energy: 1.5591669842761708
Energy: 2.801046658623826
Energy: 1.558047655262134
Energy: 1.8775781648411556
Energy: 1.821363813716428
Energy: 1.879957588876951
Energy: 1.5591669842767697
Energy: 1.8202711369055622
Energy: 1.8201049717513471
Energy: 2.749474510217974
Energy: 2.1928065090404374
Energy: 1.819913069119437
Energy: 2.7912105103115725
Energy: 1.8202711369055622
Energy: 1.8201049717513471
Energy: 2.749474510216776
Energy: 2.1928065090398383
Energy: 1.5640449851673417
Energy: 1.8210556092109769
Energy: 1.8200503056063095
Energy: 2.270010593609767
Energy: 1.819922118614309
Energy: 1.878210409538865
Energy: 1.5640449851673417
Energy: 1.8210556092109769
Energy: 1.8200503056075072
Energy: 2.633742435436341
Energy: 1.8201337575447551
Energy: 2.444090908902071
Energy: 1.8198351439851492
Energy: 1.8777083813293065
Energy: 2.7496770903545857
Energy: 1.8201125702490197
Energy: 1.8201337575447551
Energy: 2.4440909089002747
Energy: 1.8198351439851492
Energy: 1.87770838132751
Energy: 1.8773895589560863
Energy: 1.558242672409423
Energy: 2.8028364831765953
Energy: 1.5590822999866163
Energy: 1.879961713087179
Energy: 1.8213184663963446
Energy: 1.877389558957883
Energy: 1.558242672409423
Energy: 2.8028364831771944
Energy: 1.559082299987814
Energy: 2.8010466586244243
Energy: 1.558047655262134
Energy: 1.8775781648429524
Energy: 1.821363813716428
Energy: 1.8799575888775497
Energy: 1.5591669842773686
Energy: 2.8010466586256224
Energy: 1.5580476552615352
Energy: 1.8775781648423535
Energy: 1.821363813716428
Energy: 1.8199130691188383
Energy: 2.585354340063068
Energy: 1.8202711369049631
Energy: 1.8201049717507483
Energy: 2.749474510217974
Energy: 2.5521063906499966
Energy: 1.8199130691206349
Energy: 3.0521721105981294
Energy: 1.8202711369049631
Energy: 1.820104971751946
Energy: 1.819922118614309
Energy: 1.8782104095376946
Energy: 1.5640449851673417
Energy: 1.8210556092115755
Energy: 1.8200503056069086
Energy: 2.633742435436341
Energy: 1.81992211861371
Energy: 1.8782104095376946
Energy: 1.5640449851673417
Energy: 1.8210556092115755
Energy: 2.749677090355185
Energy: 1.820112570248421
Energy: 1.8201337575447551
Energy: 2.4440909089026697
Energy: 1.8198351439851492
Energy: 1.8777083813293065
Energy: 2.749677090355185
Energy: 1.8201125702490197
Energy: 1.820133757545354
Energy: 2.4440909089002747

minimum gb energy = 1.5580476552615352 eV
minimum distance =  2.60340213807948 Angstroms
sigma value = 15


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

Energy: 2.1063002687509176
Energy: 1.7693865057229141
Energy: 2.1772250125150876
Energy: 1.974254245404977
Energy: 2.1772216710088728
Energy: 2.162488254763238
Energy: 2.1063002687509176
Energy: 1.7693865057256288
Energy: 2.1772250125150876
Energy: 1.974254245404977
Energy: 1.9975987598233724
Energy: 2.219761891233298
Energy: 2.177498510596266
Energy: 2.128809709084657
Energy: 2.1617641313041194
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Energy: 1.9975987598260871
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Energy: 2.177498510596266
Energy: 2.128809709084657
Energy: 2.2628627480997343
Energy: 1.9046515010882334
Energy: 1.9913900421235606
Energy: 2.2238821048476862
Energy: 1.8550663448695597
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Energy: 1.9045796974504452
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Energy: 1.808756645307277
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Energy: 2.1288499781163184
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Energy: 2.115587477675455
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Energy: 2.084117772044804
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Energy: 1.691107322207226
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Energy: 1.9381528842088585
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Energy: 1.9024679452328872
Energy: 1.6854069078400071
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Energy: 2.2238361165995166
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Energy: 2.0406070295288754
Energy: 2.2238361165995166
Energy: 2.1347264387435048
Energy: 1.770668947105935
Energy: 2.438844392496916
Energy: 1.8557705723352185
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Energy: 1.8557705723325038
Energy: 1.8069168757900786
Energy: 2.288456029194116
Energy: 2.156186588345839
Energy: 2.1419401740522668
Energy: 1.8077893527205684
Energy: 1.9949560946714713
Energy: 2.0113893209877998
Energy: 2.2884560291967815
Energy: 2.156186588345839
Energy: 2.141940174049552
Energy: 1.8077893527205684
Energy: 2.189568771687383
Energy: 2.1606867998950063
Energy: 2.128551385453964
Energy: 1.8548025355772944
Energy: 1.855069392244627
Energy: 2.052915940178801
Energy: 2.189568771690097
Energy: 2.1606867998922916
Energy: 2.128551385456679
Energy: 1.854802535574629
Energy: 1.6407852971330106
Energy: 2.0642030321446128
Energy: 2.2237385599183823
Energy: 2.3281432775395388
Energy: 2.2907445807719395
Energy: 2.1595213536429148
Energy: 1.6407852971330106
Energy: 2.0642030321446128
Energy: 2.223738559921097
Energy: 2.3281432775368245
Energy: 1.6395554702988382
Energy: 2.360707118719312
Energy: 1.9882073961026587
Energy: 2.3310620468030345
Energy: 2.0403879594790935
Energy: 2.2562075363326963
Energy: 1.639555470296124
Energy: 2.360707118719312
Energy: 1.9882073961026587
Energy: 2.3310620468030345
Energy: 2.189437081853015
Energy: 1.7187136553478044
Energy: 2.2093374121567666
Energy: 1.8544966186170568
Energy: 2.128535453476276
Energy: 2.1561135971721206
Energy: 2.189437081853015
Energy: 1.7187136553450895
Energy: 2.2093374121567666
Energy: 1.8544966186170568
Energy: 2.2832789158125455
Energy: 1.6082438142287578
Energy: 1.9945460945317797
Energy: 1.808547408957414
Energy: 2.269971421394881
Energy: 2.1602924985207657
Energy: 2.2832789158125455
Energy: 1.6082438142314728
Energy: 1.9945460945317797
Energy: 1.808547408957414
Energy: 1.9376091733689098
Energy: 2.0409407519963167
Energy: 2.469576536638757
Energy: 2.2737133341374474
Energy: 1.8560174320300646
Energy: 2.441801180929004
Energy: 1.9376091733661955
Energy: 2.0409407519963167
Energy: 2.4695765366360427
Energy: 2.2737133341347326
Energy: 1.6523955157366166
Energy: 2.3057435351905107
Energy: 2.130187543190744
Energy: 2.4795886244466296
Energy: 2.2249700726295396
Energy: 2.4627856624132316
Energy: 1.652395515733902
Energy: 2.305743535187796
Energy: 2.130187543190744
Energy: 2.4795886244466296
Energy: 2.092805465136596
Energy: 2.2452402265055347
Energy: 1.6857946554096204
Energy: 1.8996690633678104
Energy: 2.0840443813353384
Energy: 2.272181451434546
Energy: 2.092805465136596
Energy: 2.2452402265055347
Energy: 1.6857946554096204
Energy: 1.8996690633705253
Energy: 1.891405013153192
Energy: 1.8639038205089777
Energy: 2.3675818361990735
Energy: 2.177543628623995
Energy: 1.9010967876665943
Energy: 1.7587577103617706
Energy: 1.8914050131504774
Energy: 1.8639038205089777
Energy: 2.3675818361990735
Energy: 2.177543628623995
Energy: 2.3307679840382654
Energy: 1.6908478582262754
Energy: 2.1556816990935497
Energy: 1.9101501864711659
Energy: 2.289333848781365
Energy: 2.0839993466810407
Energy: 2.3307679840382654
Energy: 1.6908478582289899
Energy: 2.1556816990935497
Energy: 1.9101501864684511
Energy: 1.9073404117123365
Energy: 1.9044164330058568
Energy: 1.6903213178520504
Energy: 1.9004657905566085
Energy: 1.9000467536610226
Energy: 1.8999968530898177
Energy: 1.9073404117096218
Energy: 1.9044164330058568
Energy: 1.6903213178520504
Energy: 1.9004657905566085
Energy: 2.177762544363099
Energy: 2.3681341316599562
Energy: 1.8628823305089526
Energy: 1.8917688206367291
Energy: 1.7576714432511116
Energy: 1.9019951243666144
Energy: 2.1777625443603843
Energy: 2.3681341316599562
Energy: 1.8628823305089526
Energy: 1.8917688206367291
Energy: 2.1897357753442956
Energy: 1.6858819849117275
Energy: 2.2698163504903714
Energy: 2.3914469731850905
Energy: 2.2437592359205945
Energy: 2.084043319371037
Energy: 2.1897357753415805
Energy: 1.6858819849062983
Energy: 2.269816350493087
Energy: 2.3914469731850905
Energy: 1.8598332335137688
Energy: 2.1308318817435516
Energy: 1.9721894092138923
Energy: 1.6539677343715555
Energy: 2.1015122061941764
Energy: 2.225542805562188
Energy: 1.8598332335164838
Energy: 2.1308318817435516
Energy: 1.9721894092138923
Energy: 1.6539677343715555
Energy: 2.288895494431741
Energy: 2.128851170956806
Energy: 2.0965665308805423
Energy: 1.9384412321417739
Energy: 2.4425006150920723
Energy: 2.040651716725706
Energy: 2.288895494431741
Energy: 2.128851170956806
Energy: 2.0965665308859713
Energy: 1.9384412321391082
Energy: 1.808788665926025
Energy: 1.9951862778375473
Energy: 1.6110548125131983
Energy: 2.0737451768324484
Energy: 1.759617698046559
Energy: 1.9371341114693401
Energy: 1.808788665926025
Energy: 1.9951862778375473
Energy: 1.6110548125159132
Energy: 2.0737451768324484
Energy: 1.8549164488802659
Energy: 1.9390315419121071
Energy: 1.9033248550090651
Energy: 1.8608567434583003
Energy: 2.156817076947123
Energy: 1.854917678041879
Energy: 1.8549164488829808
Energy: 1.9390315419121071
Energy: 1.9033248550090651
Energy: 1.8608567434610148
Energy: 2.332799694477064
Energy: 2.1760309251828147
Energy: 2.3588658874225454
Energy: 1.6384462373785083
Energy: 2.256241526748445
Energy: 1.855971829657701
Energy: 2.332799694477064
Energy: 2.1760309251828147
Energy: 2.3588658874198307
Energy: 1.6384462373785083

minimum gb energy = 0.8343004496666648 eV
minimum distance =  2.5931204031949 Angstroms
sigma value = 437


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

Energy: 1.8336671424715691
Energy: 1.9026035731927318
Energy: 2.0678950984388846
Energy: 1.9749571826321575
Energy: 2.0680060366494426
Energy: 1.8770448993711057
Energy: 1.8336671424705802
Energy: 1.9026035732451052
Energy: 2.067895098440863
Energy: 1.9749571850096916
Energy: 1.8930093728955035
Energy: 2.108598622973051
Energy: 2.188769241426828
Energy: 2.049267902166764
Energy: 2.2401396789943813
Energy: 2.192065013987285
Energy: 1.8930093728984707
Energy: 2.1085986229740397
Energy: 2.188769241428806
Energy: 2.049267902165775
Energy: 1.8553330528993135
Energy: 1.905083174513983
Energy: 2.045181062416666
Energy: 1.8311590310394446
Energy: 2.0579745451446203
Energy: 1.9481241329642753
Energy: 1.8553330528973355
Energy: 1.9050831745149723
Energy: 2.0451810624206224
Energy: 1.8311590310414227
Energy: 2.032519293908958
Energy: 1.8721629461840001
Energy: 2.187005911571394
Energy: 2.0513353973162434
Energy: 2.047830079236314
Energy: 2.1919101367379286
Energy: 2.0325192939119248
Energy: 1.8721629461849891
Energy: 2.1870059115733724
Energy: 2.0513353973152544
Energy: 1.855024859984717
Energy: 2.185275862831565
Energy: 2.0480786758880285
Energy: 2.0526322853060193
Energy: 1.9120487171834246
Energy: 1.999124811673701
Energy: 1.855024859985706
Energy: 2.1852758628364657
Energy: 2.0480786758870395
Energy: 2.052632285302108
Energy: 1.8528737765647447
Energy: 1.9703703893357651
Energy: 1.9843816534586043
Energy: 2.3530075711040936
Energy: 1.9066802171863808
Energy: 2.600136556576925
Energy: 1.8528737765647447
Energy: 1.970370389334776
Energy: 1.9843816534546483
Energy: 2.3530075711060716
Energy: 2.0313612811730595
Energy: 1.9030388776823188
Energy: 2.127305799939644
Energy: 2.045343065058137
Energy: 2.1893787867328345
Energy: 1.9040234848844078
Energy: 2.0313612811700925
Energy: 1.9030388776823188
Energy: 2.127305799940633
Energy: 2.045343065058137
Energy: 2.172749388081264
Energy: 1.9024638074662248
Energy: 2.0702193843641115
Energy: 2.0500387706293264
Energy: 2.050573442077432
Energy: 1.8806193132146356
Energy: 2.1727493880802746
Energy: 1.9024638074682025
Energy: 2.070219384363122
Energy: 2.050038770628338
Energy: 2.0123211410061304
Energy: 2.0489685779379565
Energy: 2.213217793240258
Energy: 1.9513207209584278
Energy: 2.068958331989189
Energy: 2.1090472189802707
Energy: 2.0123211410041524
Energy: 2.0489685779330116
Energy: 2.2132177932412467
Energy: 1.951320720964362
Energy: 1.749732674160783
Energy: 1.8827916430492424
Energy: 1.9836519453532535
Energy: 2.372631952795294
Energy: 2.187711355441426
Energy: 2.2109193746229847
Energy: 1.749732674160783
Energy: 1.8827916430482532
Energy: 1.9836519453552317
Energy: 2.3726319527962834
Energy: 2.1193606640104856
Energy: 2.24244666330988
Energy: 2.046725570211585
Energy: 2.0510091317124326
Energy: 2.0184882480710313
Energy: 2.0496900768189286
Energy: 2.1193606640174085
Energy: 2.242446663306913
Energy: 2.046725570214507
Energy: 2.0510091317134216
Energy: 2.0661851176778248
Energy: 1.906489391500896
Energy: 2.3670324913332537
Energy: 1.8866372327438905
Energy: 2.362585204465719
Energy: 1.9029006047796788
Energy: 2.0661851176778248
Energy: 1.906489391500896
Energy: 2.3670324913362206
Energy: 1.8866372327478467
Energy: 1.9955019932945617
Energy: 1.9004364135461316
Energy: 2.1671963125987506
Energy: 2.051414616930574
Energy: 2.1893758045758753
Energy: 2.1914579632097717
Energy: 1.995501993295551
Energy: 1.9004364135471206
Energy: 2.1671963125997395
Energy: 2.051414616929585
Energy: 1.6352622334194264
Energy: 2.0894778972926056
Energy: 2.1882724445703476
Energy: 2.510000621555413
Energy: 1.9842143336305909
Energy: 1.9048605721620673
Energy: 1.6352622345701606
Energy: 2.0894778972916166
Energy: 2.1882724445703476
Energy: 2.510000621555413

minimum gb energy = 1.6352622334194264 eV
minimum distance =  2.56098688391803 Angstroms
sigma value = 33