Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.817913822056273
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.017175707261009636
Energy: 0.01797528825457466
Energy: 1.4415517255042192
Energy: 0.01797528825457466
Energy: 0.017175707260646524
Energy: 0.01797528825457466
Energy: 0.01797528825457466
Energy: 4.538497011293006
Energy: 0.017975288254166152
Energy: 3.465202810422504
Energy: 0.017975288254166152
Energy: 3.465202810422504
Energy: 1.4415517255053993
Energy: 0.017975288254166152
Energy: 0.017175707260238024
Energy: 0.017975288254166152
Energy: 1.4415517255045822
Energy: 0.017975288254166152
Energy: 0.017975288254166152
Energy: 3.4652028104145156
Energy: 0.017975288254166152
Energy: 3.465202810422504
Energy: 0.017975288254166152
Energy: 4.7396581405877445
Energy: 0.017175707261009636
Energy: 0.017975288254166152
Energy: 1.4415517255045822
Energy: 0.017975288254166152
Energy: 0.017175707260646524
Energy: 0.01797528825457466
Energy: 0.01797528825457466
Energy: 3.4652028104220958
Energy: 0.01797528825375765
Energy: 4.739658140588925
Energy: 0.017975288254166152
Energy: 3.4652028104165127

minimum gb energy = 0.017175707260238024 eV
minimum distance =  2.49395293526694 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.2200578931879247
Energy: 2.2304065478933475
Energy: 1.9008773318665346
Energy: 2.2304065478913806
Energy: 2.2200578931879247
Energy: 2.230406547892364
Energy: 1.978045017243311
Energy: 2.15805427079798
Energy: 1.9702951924106704
Energy: 2.1580542708028965
Energy: 1.9780450172413442
Energy: 2.15805427080388
Energy: 1.8933039771591302
Energy: 2.1738132560555443
Energy: 2.1362515859718907
Energy: 2.173813256054561
Energy: 1.8933039771601134
Energy: 2.173813256054561
Energy: 1.9712251510777292
Energy: 2.18298569415961
Energy: 1.8773419341032547
Energy: 2.1829856941586265
Energy: 1.9712251510767458
Energy: 2.18298569415961
Energy: 1.9709088388490963
Energy: 2.1702670452155766
Energy: 2.149026965548161
Energy: 2.1702670452126713
Energy: 1.9709088388500797
Energy: 2.1702670452126713
Energy: 1.971621579022712
Energy: 2.1719634142738165
Energy: 1.8994504434073403
Energy: 2.1719634142718496
Energy: 1.9716215790207456
Energy: 2.1719634142728332
Energy: 2.1411977985777977
Energy: 2.171244228629907
Energy: 1.9097296102911951
Energy: 2.17124422863384
Energy: 2.1411977985777977
Energy: 2.171244228632857
Energy: 1.9803139076881882
Energy: 2.171798135052492
Energy: 1.9478476104224636
Energy: 2.1717981350554423
Energy: 1.9803139076881882
Energy: 2.1717981350554423
Energy: 1.9488270445366278
Energy: 2.163340121588412
Energy: 1.9476544670049138
Energy: 2.163340121586445
Energy: 1.9488270445356446
Energy: 2.1633401215874284
Energy: 2.1387824890477427
Energy: 2.1720946992676184
Energy: 1.910733426195518
Energy: 2.1720946992695858
Energy: 2.1387824890477427
Energy: 2.172094699268602
Energy: 1.9828603387773627
Energy: 2.16510945358211
Energy: 1.9403505955438631
Energy: 2.16510945358211
Energy: 1.9828603387783459
Energy: 2.1651094535801434
Energy: 1.9099371956294482
Energy: 2.1709648443922385
Energy: 1.9114919935608685
Energy: 2.1709648443932217
Energy: 1.9099371956284645
Energy: 2.1709648443932217
Energy: 1.94056923373974
Energy: 2.1895554469798717
Energy: 1.9460791104671384
Energy: 2.1895554469818386
Energy: 1.94056923373974
Energy: 2.1895554469808554
Energy: 1.912709858830908
Energy: 2.1723928515396125
Energy: 2.139462141628025
Energy: 2.1723928515396125
Energy: 1.9127098588299247
Energy: 2.1723928515396125
Energy: 1.9607754798924981
Energy: 2.1210740862601662
Energy: 1.948187949361377
Energy: 2.1210740862582
Energy: 1.9607754798924981
Energy: 2.1210740862582
Energy: 1.947043462939427
Energy: 2.192293578133374
Energy: 1.9849288050856788
Energy: 2.192293578134357
Energy: 1.9470434629354938
Energy: 2.192293578134357
Energy: 1.9107387887688771
Energy: 2.1718309175744124
Energy: 2.137885177956932
Energy: 2.1718309175773625
Energy: 1.9107387887688771
Energy: 2.1718309175773625
Energy: 1.8933206017590132
Energy: 2.1531393387015463
Energy: 1.9714503706101327
Energy: 2.153139338703513
Energy: 1.8933206017590132
Energy: 2.153139338703513
Energy: 1.929760035104895
Energy: 2.171125949478286
Energy: 1.9709012505577426
Energy: 2.1711259494763198
Energy: 1.9297600351039117
Energy: 2.1711259494763198
Energy: 1.9517150176483857
Energy: 2.18226687590892
Energy: 1.970252303363316
Energy: 2.1822668759108863
Energy: 1.9517150176474025
Energy: 2.1822668759108863
Energy: 2.136050787361391
Energy: 2.173697873135742
Energy: 1.8933755275757196
Energy: 2.173697873136726
Energy: 2.136050787360407
Energy: 2.173697873136726
Energy: 1.9695169983904817
Energy: 2.154454813316679
Energy: 1.9478678651078838
Energy: 2.1544548133186456
Energy: 1.9695169983904817
Energy: 2.1544548133186456
Energy: 1.9694905848366153
Energy: 2.1702410946017503
Energy: 1.9984458779960483
Energy: 2.170241094600767
Energy: 1.9694905848366153
Energy: 2.170241094600767

minimum gb energy = 1.8773419341032547 eV
minimum distance =  2.42069694205626 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.429507199632818
Energy: 2.320073979039405
Energy: 2.054547187463549
Energy: 2.3200739790349303
Energy: 2.4295071996316993
Energy: 2.3200739790343716
Energy: 2.03075374507692
Energy: 2.2647054730235228
Energy: 2.0875632308985916
Energy: 2.264705473020167
Energy: 2.0307537450774795
Energy: 2.264705473021845
Energy: 1.966614112927578
Energy: 2.3246107089490007
Energy: 2.196837178465544
Energy: 2.3246107089450856
Energy: 1.966614112927578
Energy: 2.3246107089450856
Energy: 2.033401470401969
Energy: 2.2883384422428263
Energy: 2.0814575258639127
Energy: 2.288338442238352
Energy: 2.03340147040141
Energy: 2.2883384422377926
Energy: 2.005997934963061
Energy: 2.2780456887696063
Energy: 2.061352134123103
Energy: 2.278045688764573
Energy: 2.005997934961942
Energy: 2.2780456887651326
Energy: 2.141981123786003
Energy: 2.276118757519997
Energy: 1.9758106458676818
Energy: 2.276118757519997
Energy: 2.141981123786003
Energy: 2.2761187575194373
Energy: 2.1422597173329607
Energy: 2.274735064875238
Energy: 2.080930812075867
Energy: 2.2747350648674076
Energy: 2.1422597173324007
Energy: 2.2747350648674076
Energy: 1.9909344716914126
Energy: 2.295766696621234
Energy: 2.14428219931786
Energy: 2.2957666966234713
Energy: 1.9909344716930903
Energy: 2.295766696624031
Energy: 1.9774694203998209
Energy: 2.262839775638012
Energy: 2.130525846939519
Energy: 2.2628397756352157
Energy: 1.9774694204003807
Energy: 2.2628397756352157
Energy: 2.017214655975042
Energy: 2.323666395633746
Energy: 2.0060068349806492
Energy: 2.32366639563822
Energy: 2.017214655974482
Energy: 2.32366639563822
Energy: 2.0198509222632044
Energy: 2.4069349468191086
Energy: 2.0954337098709033
Energy: 2.4069349468191086
Energy: 2.019850922262086
Energy: 2.4069349468191086
Energy: 2.201616233695666
Energy: 2.2927392726649205
Energy: 1.9782788937946985
Energy: 2.292739272666039
Energy: 2.201616233695666
Energy: 2.292739272666039
Energy: 2.064920765742343
Energy: 2.1959021333824604
Energy: 2.0236088242342856
Energy: 2.1959021333841386
Energy: 2.064920765744021
Energy: 2.1959021333841386
Energy: 2.0317023443616105
Energy: 2.3182576470442315
Energy: 2.0746808332865534
Energy: 2.318257647043113
Energy: 2.031702344361052
Energy: 2.3182576470436724
Energy: 2.087497190564351
Energy: 2.2901257591063358
Energy: 2.0277974995747226
Energy: 2.290125759105776
Energy: 2.0874971905649105
Energy: 2.290125759105776
Energy: 2.0876810240591097
Energy: 2.289964157691877
Energy: 1.9998471462102294
Energy: 2.2899641576890803
Energy: 2.0876810240579915
Energy: 2.2899641576890803
Energy: 2.0636626171111145
Energy: 2.2772206332003515
Energy: 2.0057940801657956
Energy: 2.277220633194199
Energy: 2.063662617112233
Energy: 2.277220633194758
Energy: 2.064162970698508
Energy: 2.2732336787689915
Energy: 2.0920651986292693
Energy: 2.273233678760043
Energy: 2.064162970698508
Energy: 2.2732336787594836
Energy: 1.975583664234677
Energy: 2.2959424896147556
Energy: 2.143759497538293
Energy: 2.295942489606925
Energy: 1.9755836642352362
Energy: 2.295942489607484
Energy: 1.9753137497591584
Energy: 2.2625014054699144
Energy: 2.1936522850990987
Energy: 2.2625014054671184
Energy: 1.9753137497585993
Energy: 2.262501405467677
Energy: 2.2349629904795107
Energy: 2.34178484804697
Energy: 2.0078735568428683
Energy: 2.341784848043106
Energy: 2.2349629904795107
Energy: 2.341784848043106
Energy: 2.0203336741373286
Energy: 2.2877153505032286
Energy: 2.2609365448047893
Energy: 2.2877153504970758
Energy: 2.0203336741345317
Energy: 2.2877153504970758
Energy: 2.0055987376626305
Energy: 2.2844523930296745
Energy: 2.098120879037248
Energy: 2.284452393035827
Energy: 2.005598737663189
Energy: 2.284452393035827
Energy: 2.094162912245669
Energy: 2.264973288812114
Energy: 2.01778391346183
Energy: 2.2649732888093177
Energy: 2.0941629122467877
Energy: 2.2649732888093177
Energy: 2.027297865324961
Energy: 2.290063022177401
Energy: 2.1971004482578915
Energy: 2.290063022177401
Energy: 2.027297865324961
Energy: 2.290063022177961
Energy: 2.189114753242696
Energy: 2.3208460024253488
Energy: 2.0058898578573876
Energy: 2.3208460024253488
Energy: 2.1891147532432553
Energy: 2.3208460024253488
Energy: 2.189297225639899
Energy: 2.3192471011951103
Energy: 2.012243632301828
Energy: 2.3192471011990254
Energy: 2.1892972256388306
Energy: 2.3192471011990254
Energy: 2.053236676573206
Energy: 2.290030752149517
Energy: 2.197109237610487
Energy: 2.2900307521478904
Energy: 2.0532366765726464
Energy: 2.290030752147331
Energy: 2.094236095388181
Energy: 2.2650405427227223
Energy: 2.01476694407584
Energy: 2.265040542717129
Energy: 2.094236095388181
Energy: 2.265040542717688
Energy: 2.005686593213725
Energy: 2.2821407252085515
Energy: 2.0817860128696823
Energy: 2.282140725202399
Energy: 2.0056865932126065
Energy: 2.282140725202399
Energy: 2.0198621472064313
Energy: 2.2877153505037873
Energy: 2.0638966895636046
Energy: 2.287715350498754
Energy: 2.019862147206991
Energy: 2.2877153504970758
Energy: 2.234968144056526
Energy: 2.3416988842551043
Energy: 1.975736567507947
Energy: 2.3416988842539856
Energy: 2.2349681440576448
Energy: 2.341698884254545
Energy: 1.9751677368803737
Energy: 2.262551648196251
Energy: 2.0996667388329953
Energy: 2.2625516481984884
Energy: 1.9751677368803737
Energy: 2.262551648197929
Energy: 1.975542070508324
Energy: 2.274611566620112
Energy: 2.1837390693854166
Energy: 2.274611566624027
Energy: 1.975542070508324
Energy: 2.274611566623468
Energy: 2.0640632613904217
Energy: 2.2734940799580063
Energy: 2.0727388684892554
Energy: 2.273494079960803
Energy: 2.0640632613904217
Energy: 2.273494079960803
Energy: 2.063950425123932
Energy: 2.277135155382403
Energy: 2.0057019139075067
Energy: 2.277135155382403
Energy: 2.06395042512505
Energy: 2.2771351553829624
Energy: 2.087499699884612
Energy: 2.2903287191124155
Energy: 2.02660436625433
Energy: 2.2903287191073813
Energy: 2.087499699885171
Energy: 2.2903287191073813
Energy: 2.0876199770151915
Energy: 2.2898325740112733
Energy: 2.0726062225747564
Energy: 2.289832574015748
Energy: 2.087619977015751
Energy: 2.289832574016867
Energy: 2.032897267683191
Energy: 2.319103235826365
Energy: 2.0747685704531618
Energy: 2.319103235834195
Energy: 2.03289726768431
Energy: 2.319103235834195
Energy: 2.0642710946423164
Energy: 2.1957844646238014
Energy: 2.103599817932483
Energy: 2.1957844646165303
Energy: 2.0642710946423164
Energy: 2.1957844646165303
Energy: 2.201693798006823
Energy: 2.2926757504904702
Energy: 2.0267536970183517
Energy: 2.292675750487674
Energy: 2.201693798006823
Energy: 2.292675750487674

minimum gb energy = 1.966614112927578 eV
minimum distance =  2.39197644137263 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.1808283415733287
Energy: 2.418493875307874
Energy: 2.197116961333669
Energy: 2.4184938753052823
Energy: 2.1808283415733287
Energy: 2.4184938753065777
Energy: 1.9968056871328972
Energy: 2.3044223192738724
Energy: 2.3001645850510846
Energy: 2.30442231927776
Energy: 1.9968056871316016
Energy: 2.3044223192738724
Energy: 1.9947619782446215
Energy: 2.4191950110745664
Energy: 2.236667328939186
Energy: 2.419195011081046
Energy: 1.9947619782446215
Energy: 2.419195011081046
Energy: 2.0111267078650386
Energy: 2.331060211902265
Energy: 2.237412422918315
Energy: 2.331060211900969
Energy: 2.0111267078650386
Energy: 2.3310602118996733
Energy: 1.9955475883234448
Energy: 2.331191965645131
Energy: 2.178606966294494
Energy: 2.331191965646427
Energy: 1.9955475883234448
Energy: 2.331191965646427
Energy: 2.180710812020836
Energy: 2.333777589472369
Energy: 2.275818576399231
Energy: 2.3337775894710733
Energy: 2.180710812020836
Energy: 2.3337775894710733
Energy: 2.181084619770943
Energy: 2.33100096528955
Energy: 2.077990965325151
Energy: 2.33100096528955
Energy: 2.181084619769647
Energy: 2.3310009652908454
Energy: 2.012384125388476
Energy: 2.3334664837118915
Energy: 2.0054612449091564
Energy: 2.3334664837092993
Energy: 2.012384125388476
Energy: 2.3334664837092993
Energy: 2.242619913624872
Energy: 2.4522294216841938
Energy: 2.0431442708527303
Energy: 2.4522294216841938
Energy: 2.2426199136235767
Energy: 2.4522294216841938
Energy: 1.994814393261118
Energy: 2.3105645191032482
Energy: 2.0048942839252017
Energy: 2.3105645191032482
Energy: 1.9948143932598221
Energy: 2.3105645191019524
Energy: 2.2441193823005854
Energy: 2.331237370308716
Energy: 2.2367854638442957
Energy: 2.3312373703074196
Energy: 2.2441193823005854
Energy: 2.3312373703074196
Energy: 2.180643106715428
Energy: 2.3108113667992494
Energy: 2.2767034369655375
Energy: 2.3108113667992494
Energy: 2.1806431067141614
Energy: 2.3108113667992494
Energy: 2.08661234129205
Energy: 2.33210235776131
Energy: 2.236988903039617
Energy: 2.332102357763902
Energy: 2.08661234129205
Energy: 2.3321023577651983
Energy: 1.994833718805586
Energy: 2.311237827943953
Energy: 2.2366901224873876
Energy: 2.3112378279426573
Energy: 1.994833718805586
Energy: 2.3112378279426573
Energy: 1.9949260775961644
Energy: 2.4079878866529834
Energy: 2.236851322540287
Energy: 2.4079878866568714
Energy: 1.9949260775961644
Energy: 2.4079878866568714
Energy: 1.996386792994492
Energy: 2.331210228339746
Energy: 2.236778193924276
Energy: 2.331210228334562
Energy: 1.9963867929931964
Energy: 2.331210228334562
Energy: 2.1803167350842925
Energy: 2.4080768947240903
Energy: 2.2739389044561036
Energy: 2.408076894725386
Energy: 2.1803167350842925
Energy: 2.408076894725386
Energy: 2.2418356004877698
Energy: 2.3305723568701873
Energy: 2.237470085968019
Energy: 2.330572356868892
Energy: 2.241835600482586
Energy: 2.330572356868892

minimum gb energy = 1.9947619782446215 eV
minimum distance =  2.39852797671887 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.463034234462027
Energy: 2.5174962595342762
Energy: 2.2955700649717525
Energy: 2.517496259535045
Energy: 2.4630342344627953
Energy: 2.517496259535045
Energy: 2.233389355965737
Energy: 2.6162542771758943
Energy: 2.1540185530892826
Energy: 2.616254277175126
Energy: 2.2333893559665055
Energy: 2.616254277175126
Energy: 2.0621550401678337
Energy: 2.4503851710402254
Energy: 2.1530291542510183
Energy: 2.4503851710402254
Energy: 2.0621550401678337
Energy: 2.4503851710402254
Energy: 2.1177667070594506
Energy: 2.489361169821826
Energy: 2.357951304145203
Energy: 2.489361169822595
Energy: 2.1177667070594506
Energy: 2.489361169821826
Energy: 2.09052204197733
Energy: 2.485302419958505
Energy: 2.375915891523328
Energy: 2.485302419958505
Energy: 2.090522041978099
Energy: 2.485302419958505
Energy: 2.375876699344186
Energy: 2.485302304233222
Energy: 2.0905266835479406
Energy: 2.485302304233222
Energy: 2.3758766993434173
Energy: 2.485302304233222
Energy: 2.357628109395917
Energy: 2.4892320943684694
Energy: 2.106671734696219
Energy: 2.4892320943677
Energy: 2.3576281093951477
Energy: 2.4892320943677
Energy: 2.1527595648299895
Energy: 2.450364206494122
Energy: 2.062127007427687
Energy: 2.450364206494891
Energy: 2.1527595648299895
Energy: 2.450364206494891
Energy: 2.154115843627279
Energy: 2.616457150377105
Energy: 2.2334314482404043
Energy: 2.616457150377105
Energy: 2.1541158436288166
Energy: 2.6164571503778737
Energy: 2.2955700649694464
Energy: 2.517496259535045
Energy: 2.463034234462027
Energy: 2.5174962595342762
Energy: 2.2955700649694464
Energy: 2.5174962595342762
Energy: 2.1540185530892826
Energy: 2.616254277175126
Energy: 2.2333893559665055
Energy: 2.6162542771758943
Energy: 2.1540185530892826
Energy: 2.6162542771758943
Energy: 2.153029154251787
Energy: 2.4503851710386875
Energy: 2.0621550401678337
Energy: 2.4503851710394566
Energy: 2.153029154251787
Energy: 2.4503851710394566
Energy: 2.357951304145203
Energy: 2.489361169821826
Energy: 2.1177667070602193
Energy: 2.4893611698210574
Energy: 2.357951304145972
Energy: 2.4893611698210574
Energy: 2.2976990336683367
Energy: 2.485302419956968
Energy: 2.0905220419788675
Energy: 2.485302419956968
Energy: 2.2976990336683367
Energy: 2.485302419956968
Energy: 2.0905266835487093
Energy: 2.485302304231685
Energy: 2.3758766993426486
Energy: 2.485302304232454
Energy: 2.090526683549478
Energy: 2.485302304232454
Energy: 2.10667173469545
Energy: 2.4892320943684694
Energy: 2.357628109394379
Energy: 2.489232094369238
Energy: 2.10667173469545
Energy: 2.489232094369238
Energy: 2.062127007427687
Energy: 2.4503642064933886
Energy: 2.1527595648315274
Energy: 2.4503642064933886
Energy: 2.062127007427687
Energy: 2.4503642064933886
Energy: 2.2334314482419417
Energy: 2.6164571503786425
Energy: 2.1541158436265104
Energy: 2.6164571503778737
Energy: 2.2334314482419417
Energy: 2.6164571503778737
Energy: 2.4630342344627953
Energy: 2.5174962595342762
Energy: 2.202328649129587
Energy: 2.5174962595342762
Energy: 2.4630342344627953
Energy: 2.517496259533507
Energy: 2.2333893559665055
Energy: 2.6162542771758943
Energy: 2.1540185530900517
Energy: 2.6162542771758943
Energy: 2.2333893559665055
Energy: 2.6162542771758943
Energy: 2.0621550401678337
Energy: 2.4503851710394566
Energy: 2.1530291542510183
Energy: 2.4503851710402254
Energy: 2.0621550401678337
Energy: 2.4503851710402254
Energy: 2.1177667070594506
Energy: 2.489361169821826
Energy: 2.357951304145203
Energy: 2.489361169821826
Energy: 2.1177667070594506
Energy: 2.489361169822595
Energy: 2.09052204197733
Energy: 2.485302419958505
Energy: 2.2976990336706424
Energy: 2.485302419958505
Energy: 2.09052204197733
Energy: 2.485302419958505
Energy: 2.4441273592239487
Energy: 2.485302304233222
Energy: 2.0905266835471723
Energy: 2.485302304232454
Energy: 2.4441273592239487
Energy: 2.485302304232454
Energy: 2.357628109395917
Energy: 2.4892320943677
Energy: 2.090162156506685
Energy: 2.4892320943684694
Energy: 2.357628109395917
Energy: 2.4892320943677
Energy: 2.1527595648299895
Energy: 2.4503642064956597
Energy: 2.062127007427687
Energy: 2.450364206494122
Energy: 2.1527595648299895
Energy: 2.450364206494891
Energy: 2.1541158436265104
Energy: 2.616457150377105
Energy: 2.233431448241173
Energy: 2.6164571503763363
Energy: 2.154115843624973
Energy: 2.616457150377105
Energy: 2.2006724318909687
Energy: 2.5174962595342762
Energy: 2.463034234462027
Energy: 2.5174962595342762
Energy: 2.2006724318894317
Energy: 2.517496259535045
Energy: 2.154018553088514
Energy: 2.6162542771758943
Energy: 2.233389355967274
Energy: 2.616254277175126
Energy: 2.154018553088514
Energy: 2.616254277175126
Energy: 2.153029154251787
Energy: 2.4503851710394566
Energy: 2.062155040168603
Energy: 2.4503851710386875
Energy: 2.1530291542510183
Energy: 2.4503851710386875

minimum gb energy = 2.062127007427687 eV
minimum distance =  2.34611079252907 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.2525942327206403
Energy: 2.46105737998969
Energy: 2.5213735281157335
Energy: 2.4610573799915727
Energy: 2.2525942327206403
Energy: 2.4610573799915727
Energy: 1.9058490091403466
Energy: 2.255831534903155
Energy: 2.1599462182191274
Energy: 2.255831534903155
Energy: 1.9058490091403466
Energy: 2.255831534903155
Energy: 2.1369814222418384
Energy: 2.65276492206479
Energy: 2.137618727070061
Energy: 2.6527649220629077
Energy: 2.1369814222418384
Energy: 2.65276492206479
Energy: 1.9660949122910472
Energy: 2.4459733215732036
Energy: 1.9266905666186007
Energy: 2.4459733215732036
Energy: 1.9660949122910472
Energy: 2.4459733215732036
Energy: 2.297806470241666
Energy: 2.4445922628429786
Energy: 1.973932325467903
Energy: 2.444592262844862
Energy: 2.297806470243549
Energy: 2.444592262844862
Energy: 2.1413507377778003
Energy: 2.6598544252461935
Energy: 2.162953995481673
Energy: 2.6598544252461935
Energy: 2.1413507377778003
Energy: 2.6598544252461935
Energy: 2.1382808266758273
Energy: 2.1383515325320555
Energy: 2.1377145267797286
Energy: 2.138351532530173
Energy: 2.1382808266777102
Energy: 2.138351532530173
Energy: 2.2518916955852157
Energy: 2.4575122790474015
Energy: 2.2838072601465047
Energy: 2.4575122790492845
Energy: 2.2518916955852157
Energy: 2.4575122790492845
Energy: 2.1613880489760193
Energy: 2.2723136992409807
Energy: 1.9057785015695012
Energy: 2.2723136992428636
Energy: 2.1613880489760193
Energy: 2.2723136992428636
Energy: 2.141299461980693
Energy: 2.6594255526144117
Energy: 2.1396721093528166
Energy: 2.6594255526125297
Energy: 2.14129946197881
Energy: 2.6594255526106463
Energy: 2.1377416991774507
Energy: 2.4456241709697033
Energy: 1.9266522523699867
Energy: 2.4456241709697033
Energy: 2.1377416991774507
Energy: 2.4456241709697033
Energy: 2.2956730182465046
Energy: 2.446462488154062
Energy: 1.9657939894243104
Energy: 2.44646248815218
Energy: 2.2956730182465046
Energy: 2.44646248815218

minimum gb energy = 1.9057785015695012 eV
minimum distance =  2.39639046047584 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.630904027271448
Energy: 2.643199596597549
Energy: 2.337109287463563
Energy: 2.643199596596491
Energy: 2.6309040272719773
Energy: 2.643199596596491
Energy: 2.256042710540064
Energy: 2.5584939151590222
Energy: 2.1500349491989312
Energy: 2.515725071415987
Energy: 2.256042710540064
Energy: 2.5958795139335433
Energy: 2.1433562249457636
Energy: 2.6069413178927654
Energy: 2.1471056157250423
Energy: 2.606941317892236
Energy: 2.1433562249462925
Energy: 2.606941317892236
Energy: 2.0595175935934376
Energy: 2.5894667917463456
Energy: 2.0344159959535792
Energy: 2.5894667917463456
Energy: 2.059517593592908
Energy: 2.5894667917463456
Energy: 2.05623891032642
Energy: 2.5877955599203406
Energy: 2.0693892976215094
Energy: 2.5877955599192823
Energy: 2.05623891032642
Energy: 2.5877955599198117
Energy: 2.0346599253808066
Energy: 2.425991159910245
Energy: 2.1809847665077142
Energy: 2.475056640344655
Energy: 2.0346599253808066
Energy: 2.425991159910245
Energy: 2.307837928592057
Energy: 2.5856180366589725
Energy: 2.1452310225739044
Energy: 2.5856180366568564
Energy: 2.3078379285915283
Energy: 2.5856180366573853
Energy: 2.3354157843906695
Energy: 2.5900794326603562
Energy: 2.2654260332630476
Energy: 2.590079432659827
Energy: 2.3354157843906695
Energy: 2.590079432659827
Energy: 2.2410415886453454
Energy: 2.462025871642676
Energy: 2.18800457448896
Energy: 2.4620258716421475
Energy: 2.241041588644816
Energy: 2.462025871642676
Energy: 2.3546880291060264
Energy: 2.6055307879915093
Energy: 2.056088214012636
Energy: 2.60553078799098
Energy: 2.3546880291060264
Energy: 2.6055307879915093
Energy: 2.2152686288870265
Energy: 2.602755421393567
Energy: 2.1494866477694305
Energy: 2.6027554213946247
Energy: 2.2152686288859686
Energy: 2.6027554213940958
Energy: 2.148984065107365
Energy: 2.599991125675619
Energy: 2.1433547237930637
Energy: 2.599991125673503
Energy: 2.1489840651068364
Energy: 2.599991125672974
Energy: 2.031937378617976
Energy: 2.4265262996547077
Energy: 2.153833171166654
Energy: 2.4265262996520622
Energy: 2.0319373786174473
Energy: 2.4265262996520622
Energy: 2.307747043282652
Energy: 2.6303458521358554
Energy: 2.0627614366016065
Energy: 2.6303458521353256
Energy: 2.3077470432815943
Energy: 2.6303458521353256
Energy: 2.1529197780216074
Energy: 2.58890109077252
Energy: 2.179595917143865
Energy: 2.5889010907714622
Energy: 2.1529197780200198
Energy: 2.588901090771991
Energy: 2.2053037539453335
Energy: 2.584589702764761
Energy: 2.145674731666062
Energy: 2.584589702763703
Energy: 2.205303753945863
Energy: 2.584589702763703
Energy: 2.3520293524057987
Energy: 2.60759883840163
Energy: 2.056472290039559
Energy: 2.6075988384021596
Energy: 2.3520293524052693
Energy: 2.60759883840163
Energy: 2.1237450987534476
Energy: 2.431357136558157
Energy: 2.1486743238028003
Energy: 2.4313571365592153
Energy: 2.1237450987534476
Energy: 2.431357136559744
Energy: 2.3318011266819334
Energy: 2.6252957267671264
Energy: 2.0321185508038844
Energy: 2.6252957267660686
Energy: 2.3318011266824628
Energy: 2.6252957267665975
Energy: 2.032106836556064
Energy: 2.6251473299142147
Energy: 2.0321137913623266
Energy: 2.6601855766434728
Energy: 2.032106836555535
Energy: 2.6601855766429434
Energy: 2.0321207534376993
Energy: 2.6252613490700814
Energy: 2.3316300070711895
Energy: 2.6252613490700814
Energy: 2.03212075343717
Energy: 2.6252613490690226
Energy: 2.1488655938479218
Energy: 2.4313059017755436
Energy: 2.123682025192694
Energy: 2.431305901776602
Energy: 2.148865593847393
Energy: 2.4313059017776597
Energy: 2.056460496913063
Energy: 2.6076045010770317
Energy: 2.3520136244446457
Energy: 2.6076045010780895
Energy: 2.056460496912534
Energy: 2.6076045010780895
Energy: 2.145510319903488
Energy: 2.5845187547494293
Energy: 2.2057487451959403
Energy: 2.584518754748371
Energy: 2.1455103199045458
Energy: 2.5845187547489
Energy: 2.1796240831345965
Energy: 2.58894035117172
Energy: 2.1538882973379905
Energy: 2.5889403511711917
Energy: 2.17962408313301
Energy: 2.58894035117172
Energy: 2.0629993795333093
Energy: 2.6303708250709352
Energy: 2.3077532641734315
Energy: 2.6303708250704054
Energy: 2.0629993795333093
Energy: 2.6303708250704054
Energy: 2.1539766530441145
Energy: 2.4264286016028214
Energy: 2.032074653425242
Energy: 2.426428601601763
Energy: 2.1539766530441145
Energy: 2.426428601601763
Energy: 2.1433845535981457
Energy: 2.599986072494849
Energy: 2.1489741328516123
Energy: 2.5999860724964363
Energy: 2.1433845535976164
Energy: 2.5999860724964363
Energy: 2.149593802671694
Energy: 2.6027688766141797
Energy: 2.2737905159083183
Energy: 2.6027688766136508
Energy: 2.149593802673281
Energy: 2.6027688766136508
Energy: 2.0560837517799015
Energy: 2.6052964849066917
Energy: 2.354673172077043
Energy: 2.605296484907221
Energy: 2.0560837517799015
Energy: 2.60529648490775
Energy: 2.1484612970885237
Energy: 2.462025871640031
Energy: 2.2408692593175785
Energy: 2.4620258716421475
Energy: 2.1484612970890526
Energy: 2.4620258716421475
Energy: 2.2653896958633393
Energy: 2.5900775072259927
Energy: 2.335356024942669
Energy: 2.59007750722758
Energy: 2.2653896958659847
Energy: 2.590077507228109
Energy: 2.1450791666013007
Energy: 2.5855923569292805
Energy: 2.30779859216288
Energy: 2.5855923569292805
Energy: 2.1450791666013007
Energy: 2.5855923569292805
Energy: 2.1809895741847027
Energy: 2.519804544629729
Energy: 2.034669765768053
Energy: 2.5198045446291997
Energy: 2.180989574185232
Energy: 2.5198045446291997
Energy: 2.0342498431161053
Energy: 2.588041564433406
Energy: 2.0562396064590724
Energy: 2.588041564433935
Energy: 2.0342498431155764
Energy: 2.588041564433406
Energy: 2.0341609490331884
Energy: 2.589068921139167
Energy: 2.059716576149121
Energy: 2.589068921140225
Energy: 2.034160949032659
Energy: 2.589068921139696
Energy: 2.1492166416893603
Energy: 2.6069613582435163
Energy: 2.1433685176366883
Energy: 2.606961358242988
Energy: 2.1492166416893603
Energy: 2.6069613582435163
Energy: 2.1493911096420546
Energy: 2.5153490591803678
Energy: 2.256045607320282
Energy: 2.5153490591803678
Energy: 2.1493911096431124
Energy: 2.515349059179839
Energy: 2.268392490752507
Energy: 2.643199596595962
Energy: 2.630904027271448
Energy: 2.643199596596491
Energy: 2.268392490752507
Energy: 2.643199596596491
Energy: 2.150034949201047
Energy: 2.5958795139314277
Energy: 2.25604271054218
Energy: 2.5958795139308983
Energy: 2.1500349492015762
Energy: 2.59587951393037
Energy: 2.1471056157250423
Energy: 2.6069413178943526
Energy: 2.1433562249441764
Energy: 2.606941317894881
Energy: 2.147105615724513
Energy: 2.6069413178943526
Energy: 2.034415995954638
Energy: 2.589466791750049
Energy: 2.0595175935913215
Energy: 2.5894667917489906
Energy: 2.034415995954638
Energy: 2.5894667917489906
Energy: 2.0996773341968087
Energy: 2.587795559921399
Energy: 2.0562389103248324
Energy: 2.587795559922409
Energy: 2.0996773341968087
Energy: 2.5877955599229376

minimum gb energy = 2.0319373786174473 eV
minimum distance =  2.36649276161686 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.3430355254622506
Energy: 2.4768325708532877
Energy: 1.9789626664679802
Energy: 2.4768325708520833
Energy: 2.3430355254610467
Energy: 2.4768325708520833
Energy: 1.8963704366495633
Energy: 2.545465621028132
Energy: 2.0443404495590296
Energy: 2.545465621026928
Energy: 1.896370436648359
Energy: 2.545465621026928
Energy: 1.9072960339627463
Energy: 2.440130047584974
Energy: 1.9789455256286452
Energy: 2.440130047586178
Energy: 1.9072960339639506
Energy: 2.440130047586178
Energy: 1.9237384954060022
Energy: 2.442957466527653
Energy: 2.044208553062845
Energy: 2.442957466526449
Energy: 1.9237384954060022
Energy: 2.442957466526449
Energy: 1.9229095254759319
Energy: 2.4768184690213553
Energy: 2.0451869654013315
Energy: 2.476818469022559
Energy: 1.9229095254759319
Energy: 2.476818469022559
Energy: 1.9242380808194703
Energy: 2.44019880041903
Energy: 1.9067620514260775
Energy: 2.440198800416621
Energy: 1.924238080818266
Energy: 2.440198800416621
Energy: 1.924145942637014
Energy: 2.4402046142990224
Energy: 1.9067737414405312
Energy: 2.4402046142990224
Energy: 1.924145942637014
Energy: 2.4402046143002267
Energy: 1.922907639627792
Energy: 2.477073790843543
Energy: 2.044221455794579
Energy: 2.477073790843543
Energy: 1.922907639627792
Energy: 2.477073790842338
Energy: 1.923767689526751
Energy: 2.442976739152539
Energy: 2.0445827248512187
Energy: 2.442976739153743
Energy: 1.923767689526751
Energy: 2.442976739152539
Energy: 1.9073139809345092
Energy: 2.4400479014830085
Energy: 1.9789246333621755
Energy: 2.4400479014830085
Energy: 1.9073139809333046
Energy: 2.4400479014830085
Energy: 1.8963715217918975
Energy: 2.545465621026928
Energy: 2.044794673691121
Energy: 2.545465621028132
Energy: 1.896371521793102
Energy: 2.545465621028132
Energy: 2.3430355254622506
Energy: 2.4768325708520833
Energy: 2.2333369839544233
Energy: 2.4768325708532877
Energy: 2.3430355254610467
Energy: 2.4768325708532877
Energy: 1.8963704366495633
Energy: 2.545465621026928
Energy: 1.9227893453689247
Energy: 2.545465621028132
Energy: 1.896370436648359
Energy: 2.545465621026928
Energy: 1.9072960339627463
Energy: 2.440130047586178
Energy: 1.978945525623828
Energy: 2.440130047584974
Energy: 1.9072960339639506
Energy: 2.4401300475837693
Energy: 1.9237384954060022
Energy: 2.442957466526449
Energy: 1.9506419287388437
Energy: 2.442957466527653
Energy: 1.9237384954060022
Energy: 2.442957466527653
Energy: 1.9229095254759319
Energy: 2.476818469022559
Energy: 1.9235686771171558
Energy: 2.4768184690213553
Energy: 1.9229095254771362
Energy: 2.4768184690213553
Energy: 1.9242380808194703
Energy: 2.440198800416621
Energy: 1.9067620514248735
Energy: 2.44019880041903
Energy: 1.9242380808194703
Energy: 2.44019880041903
Energy: 1.9241459426382186
Energy: 2.4402046143002267
Energy: 1.9067737414417354
Energy: 2.4402046142990224
Energy: 1.9241459426382186
Energy: 2.4402046143002267
Energy: 1.9229076396265876
Energy: 2.477073790842338
Energy: 1.950829312530163
Energy: 2.477073790842338
Energy: 1.922907639627792
Energy: 2.477073790842338

minimum gb energy = 1.896370436648359 eV
minimum distance =  2.34707662966478 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.177590823865673
Energy: 2.4327210047308023
Energy: 2.2343562018514236
Energy: 2.4327210047316843
Energy: 2.1775908238683193
Energy: 2.4327210047316843
Energy: 2.2874860678038167
Energy: 2.3321058639327643
Energy: 1.8301003232814566
Energy: 2.332105863931
Energy: 2.287486067805581
Energy: 2.3321058639327643
Energy: 2.144365958198562
Energy: 2.150230495566828
Energy: 1.8968047414367066
Energy: 2.1502304955650637
Energy: 2.1443659581976795
Energy: 2.150230495562417
Energy: 2.0620216121047155
Energy: 2.2794983768266865
Energy: 1.829947619765654
Energy: 2.2794983768302153
Energy: 2.0620216121047155
Energy: 2.2794983768302153
Energy: 1.829758421611523
Energy: 2.431678980165262
Energy: 1.923093040316601
Energy: 2.431678980166144
Energy: 1.8297584216132878
Energy: 2.431678980166144
Energy: 1.8471797720437961
Energy: 2.409541870586209
Energy: 1.8302345208786528
Energy: 2.40954187058268
Energy: 1.8471797720437961
Energy: 2.40954187058268
Energy: 1.8447936100661688
Energy: 1.9699527815244595
Energy: 1.830771630001847
Energy: 1.9699527814777038
Energy: 1.8447936100661688
Energy: 1.9699527815121087
Energy: 2.314610704983817
Energy: 2.4264302127220128
Energy: 1.8758019767403773
Energy: 2.4264302127228943
Energy: 2.314610704982935
Energy: 2.4264302127237767
Energy: 2.313853910366186
Energy: 2.4297830859799605
Energy: 2.1951718237164437
Energy: 2.4297830859808434
Energy: 2.313853910364422
Energy: 2.4297830859808434
Energy: 1.8471926025538747
Energy: 1.8328725319941763
Energy: 1.8304779673095828
Energy: 1.8328725320135844
Energy: 1.847192602554757
Energy: 1.8328725319994696
Energy: 1.8451510035215342
Energy: 2.4147542880917103
Energy: 1.8303927320212525
Energy: 2.414754288089064
Energy: 1.8451510035215342
Energy: 2.4147542880899464
Energy: 1.8321666210281993
Energy: 2.4269406390477672
Energy: 1.8302429856777052
Energy: 2.426940639049532
Energy: 1.832166621029082
Energy: 2.4269406390486497
Energy: 2.3052521699258173
Energy: 1.845002381828268
Energy: 1.8660181437658079
Energy: 1.8450023818317964
Energy: 2.3052521699249358
Energy: 1.8450023818309145
Energy: 1.83092689990615
Energy: 2.151872856455175
Energy: 1.8448922426092462
Energy: 2.151872856454293
Energy: 1.8309268999070318
Energy: 2.151872856455175
Energy: 2.2885536515067235
Energy: 2.3319624473692344
Energy: 1.8301990403018082
Energy: 2.33196244736747
Energy: 2.2885536515093703
Energy: 2.33196244736747
Energy: 2.17610910202169
Energy: 2.429147836698017
Energy: 2.082950859774136
Energy: 2.429147836697135
Energy: 2.17610910202169
Energy: 2.4291478366962522
Energy: 2.2917961534748823
Energy: 2.331395561048883
Energy: 1.9214610410024706
Energy: 2.3313955610462367
Energy: 2.291796153477529
Energy: 2.3313955610462367
Energy: 1.8308115726852614
Energy: 1.8319416551785068
Energy: 1.8972046037069283
Energy: 1.8319416551820356
Energy: 1.8308115726852614
Energy: 1.8319416551793894
Energy: 2.061477809429818
Energy: 2.2793862227300066
Energy: 1.8303753576521464
Energy: 2.2793862227300066
Energy: 2.061477809432464
Energy: 2.2793862227300066
Energy: 1.8321296465983592
Energy: 2.432923706811672
Energy: 1.84583591484423
Energy: 2.4329237068160836
Energy: 1.8321296465974775
Energy: 2.4329237068160836
Energy: 2.3892406105317723
Energy: 2.4047334550072628
Energy: 1.830504168979648
Energy: 2.4047334550072628
Energy: 2.3892406105308903
Energy: 2.4047334550063804
Energy: 1.8472081797520947
Energy: 1.8315376848163971
Energy: 2.057273006302009
Energy: 1.8315376848252187
Energy: 1.847208179753859
Energy: 1.8315376848163971
Energy: 2.3176043634719785
Energy: 2.4209000457612486
Energy: 1.8759716171359686
Energy: 2.4209000457612486
Energy: 2.3176043634710957
Energy: 2.4209000457603667
Energy: 1.832646935916209
Energy: 2.177198552081115
Energy: 2.2834197829543323
Energy: 2.1771985520802324
Energy: 1.832646935916209
Energy: 2.177198552082879
Energy: 1.845033050642558
Energy: 1.8345902604508402
Energy: 1.8305613577107258
Energy: 1.834590260447311
Energy: 1.845033050642558
Energy: 1.834590260451722
Energy: 1.8476957379145482
Energy: 2.1750333239003425
Energy: 1.8304845907953244
Energy: 2.175033323904673
Energy: 1.847695737913666
Energy: 2.1750333239126123

minimum gb energy = 1.829758421611523 eV
minimum distance =  2.40894383773507 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.729458260480956
Energy: 2.3509714029722506
Energy: 1.7568413267175318
Energy: 2.3509714029722506
Energy: 2.729458260481651
Energy: 2.3509714029722506
Energy: 2.921906042888861
Energy: 1.808433334562597
Energy: 1.734618324832023
Energy: 1.8084333345619015
Energy: 2.9219060428881654
Energy: 1.808433334562597
Energy: 2.1505776242532164
Energy: 2.2833635330529565
Energy: 1.8089522766969304
Energy: 2.283363533051566
Energy: 2.1505776242532164
Energy: 2.2833635330522615
Energy: 2.8045236183763698
Energy: 1.8128739177478665
Energy: 1.7995921462234643
Energy: 1.8128739177499207
Energy: 2.8045236183763698
Energy: 1.8128739177485618
Energy: 2.1201699429947967
Energy: 2.068780653363907
Energy: 1.758028149808797
Energy: 2.0687806533659923
Energy: 2.1201699429947967
Energy: 2.0687806533659923
Energy: 2.2418228339172246
Energy: 2.2653152618296053
Energy: 1.8323454204253824
Energy: 2.2653152618316916
Energy: 2.2418228339172246
Energy: 2.2653152618316916
Energy: 1.8016808183425266
Energy: 2.2543308976751133
Energy: 1.8317473053605762
Energy: 2.2543308976730274
Energy: 1.8016808183418311
Energy: 2.2543308976730274
Energy: 2.2035762775124548
Energy: 2.2907333337145874
Energy: 1.8805218889211128
Energy: 2.2907333337125015
Energy: 2.2035762775124548
Energy: 2.2907333337118065
Energy: 1.8118806602996471
Energy: 1.9743993037528782
Energy: 2.1183863387581985
Energy: 1.974399303751488
Energy: 1.811880660298952
Energy: 1.974399303751488
Energy: 2.0278136521905443
Energy: 2.238682913810361
Energy: 2.120182959752047
Energy: 2.238682913811056
Energy: 2.0278136521905443
Energy: 2.238682913811056
Energy: 2.027285322148719
Energy: 2.2771394858692022
Energy: 2.1198856821422374
Energy: 2.277139485867117
Energy: 2.0272853221494143
Energy: 2.277139485867117
Energy: 1.8119474477854312
Energy: 2.2996538051952657
Energy: 1.8804003797219908
Energy: 2.2922994172669027
Energy: 1.8119474477854312
Energy: 2.2996538051952657
Energy: 1.8413681441763028
Energy: 2.1968408401737944
Energy: 2.22245143107137
Energy: 2.196840840175185
Energy: 1.8413681441763028
Energy: 2.196840840175185
Energy: 1.8015880519742404
Energy: 2.2460178495867353
Energy: 1.832243860270442
Energy: 2.246017849588126
Energy: 1.8015880519742404
Energy: 2.246017849588126
Energy: 2.24110241646208
Energy: 2.0574113435763977
Energy: 1.8317669662535527
Energy: 2.0574113435743113
Energy: 2.241102416461385
Energy: 2.0574113435743113
Energy: 1.832744902284337
Energy: 2.263411181637966
Energy: 1.7999277384687296
Energy: 2.263411181642138
Energy: 1.832744902284337
Energy: 2.2971871397376296
Energy: 2.221693026169523
Energy: 2.2851591081693097
Energy: 1.8408174811117708
Energy: 2.2851591081720914
Energy: 2.221693026168132
Energy: 2.285159108171396
Energy: 1.881098887333766
Energy: 2.281335396059
Energy: 1.80910962173687
Energy: 2.2813353960624765
Energy: 1.8810988873344612
Energy: 2.2813353960624765
Energy: 2.7486993349457927
Energy: 1.8083613282217144
Energy: 1.7343675070103222
Energy: 1.8083613282217144
Energy: 2.748699334945097
Energy: 1.8083613282217144
Energy: 2.2595897691291844
Energy: 2.212793451670481
Energy: 2.0283143111515685
Energy: 2.2127934516711765
Energy: 2.2595897691298803
Energy: 2.3240722286416124
Energy: 2.6037659368216786
Energy: 1.808931168156061
Energy: 1.809794220821433
Energy: 1.8089311681553653
Energy: 2.603765936820983
Energy: 1.8089311681553653
Energy: 1.8811165060944606
Energy: 2.2816971340528407
Energy: 1.9125426412291238
Energy: 2.2816971340528407
Energy: 1.8811165060944606
Energy: 2.2816971340528407
Energy: 2.506514749732533
Energy: 1.8120097410705782
Energy: 1.7998904068568375
Energy: 1.8120097410698826
Energy: 2.506514749732533
Energy: 1.8120097410664064
Energy: 1.8327457884512464
Energy: 2.2665246590094754
Energy: 2.06000394301371
Energy: 2.26652465900878
Energy: 1.8327457884505511
Energy: 2.2241641210143563
Energy: 2.1259602535077122
Energy: 2.266250764256303
Energy: 1.8320897306294324
Energy: 2.2662507642542167
Energy: 2.1259602535077122
Energy: 2.2662507642542167
Energy: 1.8015010956991075
Energy: 2.102630567801006
Energy: 2.0437423260258094
Energy: 2.1026305677996153
Energy: 1.801501095699803
Energy: 2.1026305677996153
Energy: 2.2035071320307003
Energy: 2.29084396182814
Energy: 1.8806899637777497
Energy: 2.290843961828835
Energy: 2.2035071320300053
Energy: 2.290843961828835
Energy: 1.8117663911572426
Energy: 2.234034406657429
Energy: 2.356254206706085
Energy: 2.2340344066581244
Energy: 1.8117663911579378
Energy: 2.047001832098092
Energy: 2.0278551224736248
Energy: 2.262979642802267
Energy: 2.120116176803217
Energy: 2.262979642802267
Energy: 2.0278551224736248
Energy: 2.262979642802267
Energy: 1.7345897507347336
Energy: 1.7565584460435364
Energy: 2.2389126698463215
Energy: 1.812018079824595
Energy: 1.7345897507347336
Energy: 1.7565584460400596
Energy: 1.8091723113340814
Energy: 2.2906539252019282
Energy: 1.8805770283698984
Energy: 2.2906539252019282
Energy: 1.8091723113340814
Energy: 2.2906539252012332
Energy: 1.8410183806798774
Energy: 2.2549720406872162
Energy: 2.2219626553743552
Energy: 2.254972040689302
Energy: 1.8410183806798774
Energy: 2.254972040689302
Energy: 1.7994062384168303
Energy: 2.263340426714429
Energy: 1.8320832349498655
Energy: 2.263340426714429
Energy: 1.7994062384161356
Energy: 2.263340426714429

minimum gb energy = 1.7343675070103222 eV
minimum distance =  2.4095731595314 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.1991394184098128
Energy: 2.0959462625965855
Energy: 2.0073376896537742
Energy: 2.0959462625985372
Energy: 2.199139418409325
Energy: 2.095946262599025
Energy: 2.8139721583764015
Energy: 1.6500527620135579
Energy: 1.6025595243775004
Energy: 1.6500527620135579
Energy: 2.8139721583764015
Energy: 1.6500527620150218
Energy: 2.167152245039413
Energy: 2.0963495943522044
Energy: 1.6824765915802327
Energy: 2.0963495943517163
Energy: 2.167152245038925
Energy: 2.0963495943517163
Energy: 2.618916816876737
Energy: 1.6154327351713134
Energy: 1.6024027448348546
Energy: 1.6154327351732654
Energy: 2.6189168168772246
Energy: 1.6154327351732654
Energy: 1.7967677543919547
Energy: 2.0563263990801466
Energy: 1.653979829534796
Energy: 2.0563263990796585
Energy: 1.796767754390979
Energy: 2.0563263990801466
Energy: 2.194322439206829
Energy: 1.9988083591122874
Energy: 1.6027024164207668
Energy: 1.9988083591122874
Energy: 2.1943224392073164
Energy: 1.9988083591122874
Energy: 1.771884549868155
Energy: 1.9721215775245482
Energy: 1.6032468569390028
Energy: 1.9721215775250363
Energy: 1.771884549868155
Energy: 1.9721215775245482
Energy: 2.0292132175787567
Energy: 1.9866931232264968
Energy: 1.6116773685128292
Energy: 1.9866931232245448
Energy: 2.029213217578269
Energy: 1.9866931232250329
Energy: 1.6112629081513181
Energy: 2.0771872235682376
Energy: 1.792753052058884
Energy: 2.0771872235672615
Energy: 1.61126290815083
Energy: 2.0771872235677495
Energy: 1.8675402011251427
Energy: 2.0525504375982884
Energy: 1.8576631094644982
Energy: 2.05255043760024
Energy: 1.8675402011261186
Energy: 2.05255043760024
Energy: 1.60242117600286
Energy: 1.9877186554949917
Energy: 1.8585601760563817
Energy: 1.9877186554964554
Energy: 1.602421176003348
Energy: 1.9877186554959674
Energy: 2.2348815246966645
Energy: 2.071136250130129
Energy: 1.8832612400629871
Energy: 2.0711362501296415
Energy: 2.2348815246961764
Energy: 2.071136250129153
Energy: 1.8539591176772576
Energy: 2.0552878581660616
Energy: 2.1164913602240896
Energy: 2.0552878581665497
Energy: 1.8539591176782333
Energy: 2.0552878581670377
Energy: 1.8665980373704685
Energy: 2.0766148207695063
Energy: 2.211521891386759
Energy: 2.0766148207675545
Energy: 1.8665980373699809
Energy: 2.0766148207685307
Energy: 1.8663182127650246
Energy: 1.986736790670298
Energy: 2.212133692871576
Energy: 1.986736790671274
Energy: 1.8663182127650246
Energy: 1.986736790670786
Energy: 1.8537346687410623
Energy: 2.074826736426538
Energy: 1.8833900106805632
Energy: 2.074826736425074
Energy: 1.8537346687395986
Energy: 2.074826736425074
Energy: 1.8539297011023443
Energy: 2.055529458165262
Energy: 2.1161032028512183
Energy: 2.055529458164774
Energy: 1.8539297011023443
Energy: 2.055529458164286
Energy: 1.6030269238067891
Energy: 2.0744122934458002
Energy: 1.8575198146340095
Energy: 2.074412293444824
Energy: 1.603026923806301
Energy: 2.074412293445312
Energy: 1.8665931968371252
Energy: 2.058310404710119
Energy: 1.8578921725303883
Energy: 2.0583104047081666
Energy: 1.8665931968381013
Energy: 2.058310404707678
Energy: 1.611244512043899
Energy: 2.0738275167540623
Energy: 1.6116139602505712
Energy: 2.073827516754551
Energy: 1.611244512044875
Energy: 2.0738275167540623
Energy: 1.8539015366449503
Energy: 2.002706052135611
Energy: 1.7301378369875788
Energy: 2.0027060521346347
Energy: 1.8539015366449503
Energy: 2.0027060521346347
Energy: 1.6113882762732679
Energy: 2.0751259699852
Energy: 1.6029061088476797
Energy: 2.0751259699852
Energy: 1.6113882762732679
Energy: 2.075125969985688
Energy: 2.198039432319639
Energy: 2.020102913802823
Energy: 1.6029865860524273
Energy: 2.0201029138008715
Energy: 2.1980394323186627
Energy: 2.0201029138008715
Energy: 1.6400835505096296
Energy: 2.0735607718352145
Energy: 1.602572837368505
Energy: 2.0735607718342384
Energy: 1.6400835505096296
Energy: 2.07356077183375
Energy: 2.413290961331965
Energy: 2.0035602011620304
Energy: 1.7943526983670917
Energy: 2.003560201162518
Energy: 2.413290961331477
Energy: 2.0035602011630065
Energy: 1.883644289097493
Energy: 2.0749090623681576
Energy: 1.6137305080698532
Energy: 2.0749090623681576
Energy: 1.883644289097493
Energy: 2.0749090623676696
Energy: 2.8160279468383806
Energy: 1.6159313715160277
Energy: 1.6026991732440157
Energy: 1.6159313715116361
Energy: 2.8160279468374045
Energy: 1.6159313715130998
Energy: 1.9285232774699048
Energy: 2.073451427982778
Energy: 1.8664109385785446
Energy: 2.073451427982778
Energy: 1.928523277469417
Energy: 2.073451427982778
Energy: 2.3971908082712696
Energy: 2.000232744096704
Energy: 1.73219862607291
Energy: 2.0002327440962158
Energy: 2.3971908082717572
Energy: 2.0002327440962158
Energy: 1.8838189604978761
Energy: 2.0746154057331982
Energy: 1.8970343542807888
Energy: 2.0746154057336863
Energy: 1.8838189604978761
Energy: 2.0746154057336863
Energy: 2.3984671379025
Energy: 1.617503558885035
Energy: 1.602524791787049
Energy: 1.6175035588874305
Energy: 2.3984671379034763
Energy: 1.6175035588888944
Energy: 1.6400610494388088
Energy: 2.053786895675585
Energy: 1.7486695153191492
Energy: 2.053786895675585
Energy: 1.6400610494388088
Energy: 2.0537868956750973
Energy: 2.0243391590124706
Energy: 1.998820858925669
Energy: 1.6111895226273802
Energy: 1.998820858925181
Energy: 2.0243391590119826
Energy: 1.998820858925181
Energy: 1.6113539949654125
Energy: 1.985599967898498
Energy: 2.0412098614750245
Energy: 1.9855999678980103
Energy: 1.6113539949654125
Energy: 1.9855999678980103
Energy: 2.04108316917078
Energy: 1.985723091829372
Energy: 1.6113573225135742
Energy: 1.9857230918308357
Energy: 2.0410831691722437
Energy: 1.9857230918303477
Energy: 1.6210867154338673
Energy: 1.9988387332343702
Energy: 2.024649287084359
Energy: 1.9988387332358344
Energy: 1.6210867154338673
Energy: 1.9988387332363224
Energy: 1.7490755976021948
Energy: 2.0538318068313184
Energy: 1.640073283586006
Energy: 2.05383180683327
Energy: 1.7490755976021948
Energy: 2.0538318068327817
Energy: 1.60276953167241
Energy: 1.617741379831982
Energy: 2.3995621320448928
Energy: 1.617741379830518
Energy: 1.6027695316733859
Energy: 1.617741379830518
Energy: 1.8970343542817645
Energy: 2.074578470364269
Energy: 1.8838194240597355
Energy: 2.0745784703652452
Energy: 1.8970343542817645
Energy: 2.0745784703652452
Energy: 1.8539078212378397
Energy: 2.0002071185694397
Energy: 2.3973192068479365
Energy: 2.0002071185684636
Energy: 1.853907821236864
Energy: 2.0002071185689516
Energy: 1.866449621629123
Energy: 2.073422177548051
Energy: 1.928706932922849
Energy: 2.0734221775465866
Energy: 1.866449621629123
Energy: 2.0734221775470747
Energy: 1.6026329416925051
Energy: 1.615769207295183
Energy: 2.81575975539385
Energy: 1.6157692074049328
Energy: 1.6026329416929932
Energy: 1.6157692074093246
Energy: 1.6136898197198746
Energy: 2.074992503271169
Energy: 1.8837283396546833
Energy: 2.074992503273121
Energy: 1.6136898197193865
Energy: 2.074992503273121
Energy: 1.8541493858852665
Energy: 2.0035672556020705
Energy: 2.41309954716561
Energy: 2.003567255601583
Energy: 1.8541493858847784
Energy: 2.0035672556010944
Energy: 1.602562243781587
Energy: 2.073688091645618
Energy: 1.6400922259873663
Energy: 2.0736880916461056
Energy: 1.602562243782075
Energy: 2.073688091645618
Energy: 1.6028220455736453
Energy: 2.020102913803799
Energy: 2.198043740570836
Energy: 2.0201029138023348
Energy: 1.6028220455736453
Energy: 2.0201029138023348
Energy: 1.602891527101746
Energy: 2.075164182897971
Energy: 1.611409712743288
Energy: 2.0751641828974834
Energy: 1.6028915271002822
Energy: 2.075164182897971

minimum gb energy = 1.6024027448348546 eV
minimum distance =  2.43644226550566 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.7275068153937965
Energy: 0.7285493005837392
Energy: 1.845116912691193
Energy: 0.7285493005843694
Energy: 0.7275068153937965
Energy: 0.7285493005843694
Energy: 0.7559377662331831
Energy: 1.481304549498703
Energy: 1.2636405857932558
Energy: 1.4813045495003336
Energy: 0.7559377662328867
Energy: 1.4813045495000001
Energy: 0.7275068153944635
Energy: 0.7285493005843694
Energy: 1.8451169126914897
Energy: 0.7285493005843694
Energy: 0.7275068153944635
Energy: 0.7285493005840357
Energy: 0.755937766232553
Energy: 1.4813045494983694
Energy: 1.2636405857952198
Energy: 1.4813045495000001
Energy: 0.7559377662322195
Energy: 1.4813045495003336
Energy: 0.727506815393463
Energy: 0.7285493005834057
Energy: 2.5160658154972033
Energy: 0.7285493005843694
Energy: 0.7275068153937965
Energy: 0.7285493005843694
Energy: 0.7559377662331831
Energy: 1.4813045494983694
Energy: 1.2636405857925885
Energy: 1.4813045494996666
Energy: 0.7559377662331831
Energy: 1.4813045495000001
Energy: 0.72750681539413
Energy: 0.7285493005843694
Energy: 2.631024181421045
Energy: 0.7285493005843694
Energy: 0.72750681539413
Energy: 0.7285493005840357

minimum gb energy = 0.727506815393463 eV
minimum distance =  2.65636259959357 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.3184332832391625
Energy: 1.6486956256708236
Energy: 1.833272560818939
Energy: 1.6486956256757457
Energy: 2.3184332832400503
Energy: 1.6486956256686451
Energy: 2.8224209327875402
Energy: 1.5938012419333714
Energy: 1.5916893112709598
Energy: 1.5938012419355503
Energy: 2.822420932786653
Energy: 1.5938012419351466
Energy: 2.212695739597139
Energy: 1.6423289236691532
Energy: 1.8193118299773188
Energy: 1.64232892366649
Energy: 2.2126957395975424
Energy: 1.642328923667378
Energy: 2.659574421065597
Energy: 1.5811749612508004
Energy: 1.6023580156141983
Energy: 1.6052037682445188
Energy: 2.6595744210651935
Energy: 1.5811749612494286
Energy: 1.9231568115217377
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Energy: 1.8680292701909802
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Energy: 1.579789677984963
Energy: 1.5652385979402705
Energy: 2.2185457103149657
Energy: 1.56523859793672
Energy: 1.579789677986254
Energy: 1.5652385979393828
Energy: 1.5754886443144893
Energy: 1.5760903361087224
Energy: 1.9271768363485366
Energy: 1.5760903361074312
Energy: 1.5754886443167488
Energy: 1.576090336105172
Energy: 1.58103805224881
Energy: 1.5809378385296027
Energy: 2.2158444118522933
Energy: 1.5809378385340407
Energy: 1.5810380522505854
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Energy: 1.578566879814357
Energy: 1.5784176986039073
Energy: 2.2890893487762334
Energy: 1.578417698605279
Energy: 1.5785668798152446
Energy: 1.5784176986047946
Energy: 1.5769406620231812
Energy: 1.5928762338520257
Energy: 2.4315242687675322
Energy: 1.5928762338498468
Energy: 1.5769406620222939
Energy: 1.5928762338498468
Energy: 1.5830800759190047
Energy: 1.602231565911893
Energy: 2.309820335630557
Energy: 1.6022315659216568
Energy: 1.5830800759190047
Energy: 1.6022315659101178
Energy: 1.5808980001882216
Energy: 1.5957664330813806
Energy: 2.439854989052866
Energy: 1.5957664330836396
Energy: 1.5808980001882216
Energy: 1.6192891195077015
Energy: 1.5830674946352667
Energy: 1.5782167982841908
Energy: 2.289181000337356
Energy: 1.578216798285966
Energy: 1.5830674946338952
Energy: 1.578216798285482
Energy: 1.576563462456578
Energy: 1.5987771826550008
Energy: 2.4304245703981073
Energy: 1.5987771826532255
Energy: 1.5765634624570621
Energy: 1.5987771826550008
Energy: 1.565855257321043
Energy: 1.5758861116380973
Energy: 1.9271925911265386
Energy: 1.5758861116207485
Energy: 1.5658552573197517
Energy: 1.5758861116301088
Energy: 1.595794429213788
Energy: 1.574936843492507
Energy: 2.1282192026582383
Energy: 1.5749368434933944
Energy: 1.595794429213304
Energy: 1.5749368434978324
Energy: 1.9087556345598102
Energy: 1.5635789598725893
Energy: 1.9120080967272137
Energy: 1.563578959875252
Energy: 1.9087556345602943
Energy: 1.563578959870814

minimum gb energy = 1.5635316798702485 eV
minimum distance =  2.41947003603799 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.360850690799831
Energy: 1.7649360926294166
Energy: 2.2555144315591735
Energy: 1.7649360929034084
Energy: 2.360850690799222
Energy: 1.7649360925666777
Energy: 2.800265229926081
Energy: 1.7373869743141543
Energy: 1.7279961558736767
Energy: 1.7373869743123271
Energy: 2.800265229926081
Energy: 1.7373869743129362
Energy: 2.315171751742395
Energy: 1.7200946723100954
Energy: 2.03442573174045
Energy: 1.7200946723161863
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Energy: 1.7200946723186228
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Energy: 1.7061704049895077
Energy: 1.7387985805471946
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Energy: 1.7061704049864619
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Energy: 1.7145859379738566
Energy: 1.7093294637333432
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Energy: 1.714585937970202
Energy: 2.038914096769976
Energy: 1.714124989948872
Energy: 1.8552193919934115
Energy: 1.7141249899458266
Energy: 2.038914096768758
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Energy: 1.7090782168878906
Energy: 1.7028251881856784
Energy: 1.8049544860085642
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Energy: 1.7342693419503639
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Energy: 1.7410178802778744
Energy: 2.231595710427495
Energy: 1.741017880276656
Energy: 1.8082091728555016
Energy: 1.7410178802772651
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Energy: 1.735888218079743
Energy: 1.869977472326075
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Energy: 1.8071325295464107
Energy: 1.7358882180827888
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Energy: 1.7241959376419929
Energy: 1.8071282790486365
Energy: 1.724195937637729
Energy: 2.2347133011044997
Energy: 1.7001816938843561
Energy: 1.8400208965244953
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Energy: 2.126708704732479
Energy: 2.25259030712232
Energy: 1.7365111899811851
Energy: 1.7207455500833033
Energy: 1.7365111899836214
Energy: 2.25259030712232
Energy: 1.7365111899836214
Energy: 2.2538046497380897
Energy: 2.140274232511937
Energy: 2.0235707091918385
Energy: 2.1402742325125463
Energy: 2.253804649738699
Energy: 2.1402742325131556
Energy: 2.775538351254755
Energy: 1.711261234629265
Energy: 1.715492594852902
Energy: 1.7112612346225646
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Energy: 2.774902328507251
Energy: 1.7115222373406964
Energy: 1.7153720244626822
Energy: 1.7115222373370416
Energy: 2.7749023285084697
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Energy: 1.9156169108200627
Energy: 2.1300832965088423
Energy: 2.2505039846587596
Energy: 2.1300832965088423
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Energy: 1.7360691256523266
Energy: 1.720609247097635
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Energy: 2.2500663304057356
Energy: 1.7360691256571994
Energy: 2.2342730721251707
Energy: 1.7038959466742019
Energy: 1.8084447095991336
Energy: 1.7038959466735926
Energy: 2.23427307212578
Energy: 1.7038959466681105
Energy: 2.234605716105767
Energy: 1.700258635074629
Energy: 1.8519746468179161
Energy: 1.700258635069756
Energy: 2.2346057161063757
Energy: 1.700258635070365
Energy: 1.807270286796148
Energy: 1.7238581251220033
Energy: 2.0034925548660976
Energy: 1.7238581251244398
Energy: 1.8072702867967574
Energy: 1.723858125123831
Energy: 1.807267832731602
Energy: 1.7365762151728092
Energy: 1.8697075525706115
Energy: 1.7365762151691544
Energy: 1.807267832731602
Energy: 1.736576215170373
Energy: 1.808576911437575
Energy: 1.7410178802772651
Energy: 2.2312902829634402
Energy: 1.7410178802778744
Energy: 1.808576911438184
Energy: 1.7410178802772651
Energy: 1.8051172174578751
Energy: 1.7338593122450594
Energy: 2.2511759756991285
Energy: 1.733859312243232
Energy: 1.8051172174578751
Energy: 1.7338593122474406
Energy: 1.7100577688281176
Energy: 1.7025968383220915
Energy: 2.4307603742016575
Energy: 1.7025968383227006
Energy: 1.7100577688268994
Energy: 1.7025968383220915
Energy: 1.7213589275817658
Energy: 1.735971806660475
Energy: 2.2174541795543363
Energy: 1.7359718066623022
Energy: 1.721358927582375
Energy: 1.7359718066623022
Energy: 1.7152506423409264
Energy: 1.7071950962983724
Energy: 2.5440559128275413
Energy: 1.7071950962983724
Energy: 1.7152506423415357
Energy: 1.7071950962983724
Energy: 1.845516905464463
Energy: 1.7334156159901717
Energy: 2.2508601215858945
Energy: 1.7334156159749436
Energy: 1.8455169054650717
Energy: 1.7334156159913898
Energy: 1.720905662770825
Energy: 1.7092839627637815
Energy: 2.2946721608113494
Energy: 1.709283962761345
Energy: 1.720905662770825
Energy: 1.709283962757081
Energy: 1.8160155879364872
Energy: 1.7136938577038938
Energy: 1.8700885301487558
Energy: 1.7136938576984673
Energy: 1.8160155879364872
Energy: 1.713693857705112
Energy: 1.8389657014591625
Energy: 1.7082385311709114
Energy: 2.0304046854878126
Energy: 1.7082385311733481
Energy: 1.8389657014585536
Energy: 1.7082385311733481

minimum gb energy = 1.7001816938831378 eV
minimum distance =  2.40078808588008 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.385075709078155
Energy: 1.794911986346229
Energy: 2.1196449666962964
Energy: 1.7949119863469771
Energy: 2.385075709078903
Energy: 1.7949119863454808
Energy: 2.6834166028417643
Energy: 1.858399160384911
Energy: 1.8084462591170218
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Energy: 2.6834166028417643
Energy: 1.8583991603841628
Energy: 1.8664758197977214
Energy: 2.230277647124081
Energy: 2.0639358498075047
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Energy: 2.04274720678012
Energy: 1.8323558860622555
Energy: 1.8124314711356646
Energy: 1.832355886063752
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Energy: 1.832355886063004
Energy: 1.813850036061357
Energy: 2.233648895939976
Energy: 1.9434971267519177
Energy: 2.2336488959422205
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Energy: 1.7930031924396943
Energy: 1.7933281124986766
Energy: 1.8141922983124166
Energy: 1.7933281124979623
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Energy: 1.7933281124986766
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Energy: 2.05823505642103
Energy: 1.7919381567255526
Energy: 1.799140843151485
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Energy: 1.8576009585679945
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Energy: 1.8663149264312646
Energy: 1.7963603947707056
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Energy: 1.796360394772202
Energy: 1.799343757969142
Energy: 2.0316750262439593
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Energy: 2.0316750262447076
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Energy: 1.7922197485559979
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Energy: 1.7922197485567462
Energy: 1.7915340382486435
Energy: 1.796186350509886
Energy: 1.866184899186866
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Energy: 1.7961863505106344
Energy: 1.7912981929199219
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Energy: 2.330377741149408
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Energy: 1.7924866965629536
Energy: 2.2394480704473434
Energy: 1.8137610674043743
Energy: 2.239448070446595
Energy: 1.7924866965629536
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Energy: 1.792258386965095
Energy: 1.792156173275917
Energy: 1.7941301093402466
Energy: 1.792156173275169
Energy: 1.792258386964347
Energy: 1.7921561732766653
Energy: 2.29900249134172
Energy: 1.7957153602519065
Energy: 1.8134422617875123
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Energy: 2.29900249134172
Energy: 1.7957153602519065
Energy: 2.29760510644685
Energy: 1.7952258257343827
Energy: 2.2100822586683164
Energy: 1.7952258257351308
Energy: 2.2976051064475986
Energy: 1.7952258257351308
Energy: 2.332017595553992
Energy: 1.7953351083788407
Energy: 1.7995611074995854
Energy: 1.7953351083780926
Energy: 2.332017595553992
Energy: 1.7953351083773443
Energy: 2.3310306184637883
Energy: 1.7953409685004593
Energy: 1.8133952733238745
Energy: 1.7953409685004593
Energy: 2.3310306184637883
Energy: 1.7953409685004593
Energy: 2.2987049371530044
Energy: 1.791988420360963
Energy: 1.8123983014268352
Energy: 1.791988420360963
Energy: 2.298704937153753
Energy: 1.791988420363208
Energy: 2.297485371483016
Energy: 2.3069209895210117
Energy: 1.807857321502993
Energy: 2.30692098952176
Energy: 2.297485371483016
Energy: 2.30692098952176
Energy: 1.7944458232025569
Energy: 1.7920889711773131
Energy: 1.7919090191667881
Energy: 1.7920889711765646
Energy: 1.7944458232025569
Energy: 1.7920889711765646
Energy: 1.7925112028487808
Energy: 2.23988264679815
Energy: 1.7970655698280138
Energy: 2.2398826468003943
Energy: 1.7925112028487808
Energy: 2.2398826467996464
Energy: 1.794139793732273
Energy: 1.792168128434207
Energy: 1.7926320534911582
Energy: 1.792168128434207
Energy: 1.794139793732273
Energy: 1.792168128434955
Energy: 1.791540572984285
Energy: 2.306901707172236
Energy: 1.8840213701198674
Energy: 2.306901707172236
Energy: 1.7915405729850333
Energy: 2.306901707172236
Energy: 1.8000610043843717
Energy: 1.7922676270113438
Energy: 2.2984672881240718
Energy: 1.792267627012092
Energy: 1.8000610043843717
Energy: 1.792267627012092
Energy: 1.8097863474781106
Energy: 1.7952653926783009
Energy: 2.331038359970873
Energy: 1.7952653926760564
Energy: 1.8097863474781106
Energy: 1.7952653926745603
Energy: 1.8002620827904763
Energy: 1.7952162651638062
Energy: 2.111496963219157
Energy: 1.7952162651623094
Energy: 1.8002620827904763
Energy: 1.7952162651608132
Energy: 1.8580184741346883
Energy: 1.7950072402053774
Energy: 1.8840530718795496
Energy: 1.7950072402068735
Energy: 1.8580184741346883
Energy: 1.7950072402046293
Energy: 1.8002226147751244
Energy: 1.7919374252540676
Energy: 2.0597503737027942
Energy: 1.791937425254816
Energy: 1.800222614774376
Energy: 1.7919374252540676
Energy: 1.7937105630721049
Energy: 1.792358646027261
Energy: 1.7932482935241876
Energy: 1.792358646027261
Energy: 1.7937105630713566
Energy: 1.792358646027261

minimum gb energy = 1.7912981929199219 eV
minimum distance =  2.40885505277906 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.2176320769601103
Energy: 1.9476266186751519
Energy: 2.1891542344010606
Energy: 1.9476266110167237
Energy: 2.2176320769601103
Energy: 1.9476266224041225
Energy: 2.493882317288052
Energy: 1.9890655775237642
Energy: 1.920574521653663
Energy: 1.9890655775237642
Energy: 2.493882317288052
Energy: 1.9890655775227957
Energy: 2.12330469011655
Energy: 1.9186742406708583
Energy: 1.9265479366425988
Energy: 1.9186742406737645
Energy: 2.12330469011655
Energy: 1.9186742406786084
Energy: 2.110409888410083
Energy: 1.9162901654232063
Energy: 1.950185939458566
Energy: 1.9162901654212687
Energy: 2.110409888410083
Energy: 1.9162901654222373
Energy: 1.9441081943272243
Energy: 1.9356218844577668
Energy: 2.3199246803888953
Energy: 1.935621884455829
Energy: 1.9441081943262553
Energy: 1.935621884455829
Energy: 1.9263632412148695
Energy: 1.9154832699496145
Energy: 2.1274156891023632
Energy: 1.915483272984346
Energy: 1.926363241213901
Energy: 1.9154832708666214
Energy: 1.9182506110978617
Energy: 1.909105275672776
Energy: 2.290548700267475
Energy: 1.909105275673745
Energy: 1.9182506110988304
Energy: 1.909105275673745
Energy: 1.921366896118878
Energy: 1.9091771521548753
Energy: 2.0063602020566758
Energy: 1.9091771521529377
Energy: 1.921366896118878
Energy: 1.9091771521529377
Energy: 1.916168982201955
Energy: 1.9496472123192823
Energy: 2.1098905179080734
Energy: 1.9496472123173447
Energy: 1.916168982200986
Energy: 1.9496472123163762
Energy: 2.081447075546659
Energy: 2.0693787374222343
Energy: 2.1271149484599983
Energy: 2.0693787374222343
Energy: 2.081447075547628
Energy: 2.0693787374222343
Energy: 2.0811263494920778
Energy: 1.9158354052742765
Energy: 2.0807795525333304
Energy: 1.915835405273308
Energy: 2.0811263494920778
Energy: 1.9158354052723392
Energy: 2.1004530041222362
Energy: 1.9067147833751708
Energy: 1.9506252962825703
Energy: 1.9067147833790457
Energy: 2.100453004123205
Energy: 1.9067147833790457
Energy: 2.1005238685609187
Energy: 2.4110239576948094
Energy: 1.9892324614161228
Energy: 2.4110239576938404
Energy: 2.1005238685609187
Energy: 2.4110239576938404
Energy: 2.8524735832225976
Energy: 1.918473612112198
Energy: 1.9322008301213716
Energy: 1.9184736121112294
Energy: 2.8524735832216286
Energy: 1.9184736121102604
Energy: 2.8516932383940783
Energy: 2.4487315045994027
Energy: 1.9230770516974827
Energy: 2.4487315045994027
Energy: 2.8516932383940783
Energy: 2.4487315045994027
Energy: 2.100437898366875
Energy: 2.2199668163198987
Energy: 1.922940325377785
Energy: 2.2199668163169926
Energy: 2.100437898365906
Energy: 2.2199668163169926
Energy: 2.100509364716094
Energy: 1.9075086682238105
Energy: 2.0810546045378353
Energy: 1.9075086682247795
Energy: 2.1005093647170625
Energy: 1.9075086682228417
Energy: 2.0812096742545028
Energy: 1.9395943199802623
Energy: 2.081147214138774
Energy: 1.9395943199763874
Energy: 2.081209674253534
Energy: 1.9395943199754184
Energy: 2.0811652356942725
Energy: 1.9077079472701555
Energy: 2.100723041433273
Energy: 1.907707947274031
Energy: 2.0811652356952415
Energy: 1.907707947274031
Energy: 1.9176674710729569
Energy: 2.4105863496236757
Energy: 2.100227390400328
Energy: 2.4105863496198006
Energy: 1.9176674710729569
Energy: 2.4105863496198006
Energy: 1.9294126452101443
Energy: 1.9083260127624126
Energy: 2.613778893182455
Energy: 1.9083260127643502
Energy: 1.9294126452101443
Energy: 1.9083260127624126
Energy: 1.9129084744424771
Energy: 1.8985725296749967
Energy: 2.6145536492296433
Energy: 1.898572529671122
Energy: 1.9129084744424771
Energy: 1.898572529672091
Energy: 2.1405017687593904
Energy: 2.0946471135511464
Energy: 2.100767164381382
Energy: 2.0946471135482407
Energy: 2.1405017687593904
Energy: 2.0946471135492093
Energy: 1.9471293577942874
Energy: 1.9068702483538822
Energy: 2.100193909597717
Energy: 1.9068702483548512
Energy: 1.9471293577942874
Energy: 1.9068702483548512

minimum gb energy = 1.898572529671122 eV
minimum distance =  2.40989262532144 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.050178741611543
Energy: 2.0508040026211587
Energy: 2.34844119086831
Energy: 2.0508040026211587
Energy: 2.050178741611543
Energy: 2.0508040026211587
Energy: 2.0785025704813247
Energy: 2.0351780821990784
Energy: 2.035554547147159
Energy: 2.0351780821963383
Energy: 2.0785025704826947
Energy: 2.0351780821977083
Energy: 2.04143001598888
Energy: 2.043352172869706
Energy: 2.025369662434105
Energy: 2.0433521728683366
Energy: 2.04143001598888
Energy: 2.043352172869706
Energy: 2.0574799715281364
Energy: 2.042832441042888
Energy: 2.0447459357064113
Energy: 2.042832441042888
Energy: 2.0574799715281364
Energy: 2.042832441042888
Energy: 2.037049272010672
Energy: 2.035498050060652
Energy: 2.082319381505938
Energy: 2.035498050062022
Energy: 2.037049272010672
Energy: 2.035498050062022
Energy: 2.042810077268565
Energy: 2.0508217403262057
Energy: 2.0540788585621694
Energy: 2.0508217403262057
Energy: 2.042810077268565
Energy: 2.0508217403262057
Energy: 2.033866824530594
Energy: 2.20337867982193
Energy: 2.0814946658663653
Energy: 2.20337867982193
Energy: 2.033866824530594
Energy: 2.20337867982193
Energy: 2.0257284260526847
Energy: 2.405154712483689
Energy: 2.044552754610338
Energy: 2.405154712485059
Energy: 2.0257284260513146
Energy: 2.405154712483689
Energy: 2.024977603063936
Energy: 2.025720246730632
Energy: 2.08912998675146
Energy: 2.025720246730632
Energy: 2.024977603062566
Energy: 2.025720246730632
Energy: 2.0596676077659404
Energy: 2.0211539585300997
Energy: 2.03563946538519
Energy: 2.0211539585287297
Energy: 2.0596676077659404
Energy: 2.0211539585300997
Energy: 2.0641737998037413
Energy: 2.024857583061125
Energy: 2.042290080465704
Energy: 2.024857583061125
Energy: 2.0641737998037413
Energy: 2.024857583061125
Energy: 2.025428941520891
Energy: 2.0246455812716113
Energy: 2.038638073555886
Energy: 2.0246455812729813
Energy: 2.025428941520891
Energy: 2.024645581274351
Energy: 2.0252713787476093
Energy: 2.404979992654288
Energy: 2.0266905637544688
Energy: 2.4049799926556577
Energy: 2.0252713787476093
Energy: 2.4049799926556577
Energy: 2.0427591095543667
Energy: 2.0268811561653117
Energy: 2.0265348744718783
Energy: 2.0268811561639417
Energy: 2.0427591095557367
Energy: 2.0268811561653117
Energy: 2.0341770250048397
Energy: 2.5825321624663395
Energy: 2.0608024537948717
Energy: 2.5825321624677096
Energy: 2.0341770250048397
Energy: 2.5825321624677096
Energy: 2.037021261887965
Energy: 2.586814988584036
Energy: 2.060293209549635
Energy: 2.586814988584036
Energy: 2.037021261887965
Energy: 2.586814988584036
Energy: 2.043026579514427
Energy: 2.024738762895434
Energy: 2.026479543603539
Energy: 2.0247387628940636
Energy: 2.043026579513057
Energy: 2.024738762895434

minimum gb energy = 2.0211539585287297 eV
minimum distance =  2.39123486065051 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.6262214907205657
Energy: 2.7048998609814423
Energy: 2.2486552402819417
Energy: 2.704899860979326
Energy: 2.6262214907200363
Energy: 2.704899860979326
Energy: 2.437203643359389
Energy: 2.1114312037268044
Energy: 2.0986486957956636
Energy: 2.1114312037262755
Energy: 2.437203643359389
Energy: 2.1114312037262755
Energy: 2.102329232021545
Energy: 2.18110622927819
Energy: 2.1376014323897707
Energy: 2.1811062292766032
Energy: 2.1023292320210163
Energy: 2.181106229277661
Energy: 2.150391915549267
Energy: 2.097409469254427
Energy: 2.18408726403624
Energy: 2.09740946925284
Energy: 2.150391915550325
Energy: 2.097409469256015
Energy: 2.1062786910043028
Energy: 2.14827269429063
Energy: 2.4553025981570675
Energy: 2.148272694290101
Energy: 2.106278691004832
Energy: 2.14827269429063
Energy: 2.186824873359743
Energy: 2.1041782089953074
Energy: 2.212257681536257
Energy: 2.104178208991604
Energy: 2.1868248733602718
Energy: 2.104178208991604
Energy: 2.099047999763509
Energy: 2.196823844284592
Energy: 2.4296424073597773
Energy: 2.196823844284063
Energy: 2.0990479997629805
Energy: 2.196823844284063
Energy: 2.590336261828443
Energy: 2.095369104783972
Energy: 2.0957404789270253
Energy: 2.0953691047860876
Energy: 2.5903362618273844
Energy: 2.09536910478503
Energy: 2.2156269639582264
Energy: 2.1043600348969846
Energy: 2.1154968158452427
Energy: 2.104360034897514
Energy: 2.2156269639582264
Energy: 2.1043600348980434
Energy: 2.5856633235224216
Energy: 2.161601490536416
Energy: 2.1026892164651163
Energy: 2.1507428654072385
Energy: 2.5856633235213637
Energy: 2.1673152984070616
Energy: 2.186757902358456
Energy: 2.1100480781786817
Energy: 2.174199525492366
Energy: 2.1100480781691586
Energy: 2.186757902358985
Energy: 2.110048078177624
Energy: 2.1143302340180874
Energy: 2.111598088226439
Energy: 2.11309096358459
Energy: 2.1115980882274976
Energy: 2.1143302340180874
Energy: 2.1115980882269683
Energy: 2.0999927626010755
Energy: 2.0998833942035375
Energy: 2.6177876165746956
Energy: 2.0998833942019504
Energy: 2.0999927626005466
Energy: 2.099883394203008
Energy: 2.1147325852576637
Energy: 2.111393459738705
Energy: 2.61762308199886
Energy: 2.1113934597392334
Energy: 2.1147325852571344
Energy: 2.111393459742937
Energy: 2.1162351531082746
Energy: 2.2656928097187574
Energy: 2.174213702509113
Energy: 2.265692809717699
Energy: 2.1162351531088044
Energy: 2.2656928097192863
Energy: 2.1873487173009845
Energy: 2.1229351090206072
Energy: 2.1131083521687155
Energy: 2.1016877055768783
Energy: 2.1873487173009845
Energy: 2.1229351090126714
Energy: 2.1837617419296076
Energy: 2.099747409253322
Energy: 2.117991187202846
Energy: 2.099747409252264
Energy: 2.1837617419296076
Energy: 2.0997474092527932
Energy: 2.6022780446934703
Energy: 2.2903482431560698
Energy: 2.12147678096879
Energy: 2.2903482431539532
Energy: 2.6022780446934703
Energy: 2.290348243155011
Energy: 2.5013697674293653
Energy: 2.1125026497216206
Energy: 2.1081727217479163
Energy: 2.1125026497216206
Energy: 2.501369767428836
Energy: 2.112502649726382
Energy: 2.10072674360745
Energy: 2.166086882631726
Energy: 2.1005605218198036
Energy: 2.1660868826354296
Energy: 2.10072674360745
Energy: 2.1446475510113117
Energy: 2.1081568324381683
Energy: 2.112797525770992
Energy: 2.5970549362414794
Energy: 2.112797525770992
Energy: 2.1081568324376394
Energy: 2.1127975257651728
Energy: 2.121468175363883
Energy: 2.2902268003306614
Energy: 2.6022837325727997
Energy: 2.29022680033172
Energy: 2.1214681753633546
Energy: 2.2902268003354234
Energy: 2.11216701035635
Energy: 2.099498466762088
Energy: 2.1838026022014123
Energy: 2.0994984667615593
Energy: 2.1121670103552916
Energy: 2.0994984667589143
Energy: 2.113110793114972
Energy: 2.259207095486581
Energy: 2.1873622607386434
Energy: 2.2592070954876387
Energy: 2.1131107931144437
Energy: 2.2592070954871097
Energy: 2.1742186073030796
Energy: 2.265416556125787
Energy: 2.119448641289782
Energy: 2.265416556130548
Energy: 2.174218607303609
Energy: 2.2654165561226125
Energy: 2.617627001562901
Energy: 2.1115217684706136
Energy: 2.114727546587072
Energy: 2.111521768471143
Energy: 2.617627001562901
Energy: 2.111521768471143
Energy: 2.617550300060754
Energy: 2.0997796438558267
Energy: 2.100049609902531
Energy: 2.099779643856885
Energy: 2.617550300060754
Energy: 2.0997796438558267
Energy: 2.1131050627754737
Energy: 2.1110320019383266
Energy: 2.1143288099191264
Energy: 2.1110320019388555
Energy: 2.1131050627749444
Energy: 2.1110320019383266
Energy: 2.174132548483275
Energy: 2.1101595145242023
Energy: 2.1867495750846877
Energy: 2.1101595145316088
Energy: 2.174132548482746
Energy: 2.1101595145257885
Energy: 2.102716106838871
Energy: 2.1668231616232103
Energy: 2.586131103385027
Energy: 2.1668231616237392
Energy: 2.1027161068378133
Energy: 2.166823161622681
Energy: 2.115510365407145
Energy: 2.105034208444149
Energy: 2.21562195013989
Energy: 2.105034208444149
Energy: 2.115510365407145
Energy: 2.105034208444678
Energy: 2.0957466919252337
Energy: 2.0952281579730587
Energy: 2.590018662479491
Energy: 2.0952281579746463
Energy: 2.0957466919257626
Energy: 2.0952281579730587
Energy: 2.4296465724662197
Energy: 2.1964830923015772
Energy: 2.0990688134915914
Energy: 2.196483092301048
Energy: 2.4296465724662197
Energy: 2.1964830923005185
Energy: 2.212311699667581
Energy: 2.103956117263135
Energy: 2.187113010556456
Energy: 2.103956117263664
Energy: 2.2123116996681103
Energy: 2.103956117264722
Energy: 2.4392074825978867
Energy: 2.1482726942911587
Energy: 2.1063119618532875
Energy: 2.148272694290101
Energy: 2.439207482597358
Energy: 2.1482726942895716
Energy: 2.184034901726175
Energy: 2.0954755442655473
Energy: 2.1503965466963577
Energy: 2.0954755442671344
Energy: 2.1840349017256457
Energy: 2.0954755442655473
Energy: 2.137108761839851
Energy: 2.179931568374878
Energy: 2.1023130839024384
Energy: 2.179931568374349
Energy: 2.137108761840909
Energy: 2.179931568374349
Energy: 2.09870427288834
Energy: 2.111526459583345
Energy: 2.437315334118241
Energy: 2.111526459583874
Energy: 2.0987042728872813
Energy: 2.111526459584403
Energy: 2.2181067646246873
Energy: 2.704899860981971
Energy: 2.6262214907205657
Energy: 2.704899860981971
Energy: 2.2181073126201514
Energy: 2.7048998609814423
Energy: 2.098648695796722
Energy: 2.111431203725747
Energy: 2.437203643362034
Energy: 2.1114312037262755
Energy: 2.098648695796192
Energy: 2.111431203725217
Energy: 2.1376014323871253
Energy: 2.1811062292744867
Energy: 2.1023292320194296
Energy: 2.1811062292792482
Energy: 2.1376014323998227
Energy: 2.18110622927819
Energy: 2.1840872640330655
Energy: 2.0974094692538987
Energy: 2.1503919155497955
Energy: 2.0974094692549565
Energy: 2.1840872640330655
Energy: 2.0974094692533694
Energy: 2.4553025981570675
Energy: 2.148272694290101
Energy: 2.1062786910011284
Energy: 2.14827269429063
Energy: 2.455302598156538
Energy: 2.1482726942911587

minimum gb energy = 2.0952281579730587 eV
minimum distance =  2.35687655062792 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.4352588950598175
Energy: 2.1364903139523355
Energy: 2.2598268918804623
Energy: 2.1364903139488893
Energy: 2.4352588950598175
Energy: 2.1364903139540576
Energy: 2.2779217222494483
Energy: 2.135442103699868
Energy: 2.1324936035311324
Energy: 2.1354421036955613
Energy: 2.2779217222503103
Energy: 2.1354421036947002
Energy: 2.1334553282947577
Energy: 2.1960948674474357
Energy: 2.144105392619772
Energy: 2.196094867444851
Energy: 2.1334553282947577
Energy: 2.1960948674457126
Energy: 2.3856306043722797
Energy: 2.1938330145833698
Energy: 2.395107875676295
Energy: 2.1938330145911227
Energy: 2.3856306043722797
Energy: 2.1938330145911227
Energy: 2.0940165144230876
Energy: 2.1715838493784987
Energy: 2.2652686114543417
Energy: 2.171583849387113
Energy: 2.0940165144230876
Energy: 2.17158384938539
Energy: 2.3769331567808534
Energy: 2.1939062049832367
Energy: 2.39507541047116
Energy: 2.193906204986683
Energy: 2.3769331567808534
Energy: 2.193906204986683
Energy: 2.1362994713305574
Energy: 2.196197448455536
Energy: 2.1371020993389775
Energy: 2.1961974484529514
Energy: 2.136299471331419
Energy: 2.1961974484538125
Energy: 2.0943164933927356
Energy: 2.185332453580157
Energy: 2.131994123346746
Energy: 2.185332453586187
Energy: 2.0943164933901515
Energy: 2.185332453583603
Energy: 2.241350005617125
Energy: 2.0928439583540603
Energy: 2.13572706013023
Energy: 2.0928439583600897
Energy: 2.241350005617125
Energy: 2.092843958358367
Energy: 2.4107481098681736
Energy: 2.1333927224491394
Energy: 2.134991123189473
Energy: 2.1333927224362177
Energy: 2.4107481098673125
Energy: 2.1333927224353557
Energy: 2.1359798685514684
Energy: 2.093710997860492
Energy: 2.393061581058087
Energy: 2.0937109978622153
Energy: 2.1359798685514684
Energy: 2.0937109978613537
Energy: 2.173559512295519
Energy: 2.1959527148128704
Energy: 2.3938589379853537
Energy: 2.1959527148214844
Energy: 2.17355951229638
Energy: 2.1959527148214844
Energy: 2.1002769837311126
Energy: 2.2709451773627247
Energy: 2.392831140174938
Energy: 2.270945177364448
Energy: 2.1002769837311126
Energy: 2.2709451773635863
Energy: 2.4045892619193467
Energy: 2.133969305194209
Energy: 2.3936986244861163
Energy: 2.133969305194209
Energy: 2.4045892619219313
Energy: 2.133969305194209
Energy: 2.1460231228404987
Energy: 2.197780529589711
Energy: 2.1397016268343583
Energy: 2.197780529593078
Energy: 2.14602312284136
Energy: 2.197780529592217
Energy: 2.4294673713248987
Energy: 2.1588084710507114
Energy: 2.1379045625976305
Energy: 2.158808471040453
Energy: 2.429467370001442
Energy: 2.15880847104382
Energy: 2.4360247159020867
Energy: 2.1378126923833225
Energy: 2.139758276134473
Energy: 2.137812692376431
Energy: 2.4360247159038098
Energy: 2.1378126923859067
Energy: 2.3969875490510297
Energy: 2.3130505178315324
Energy: 2.14642348475141
Energy: 2.313050517824641
Energy: 2.396987549051891
Energy: 2.3130505178237795
Energy: 2.1460024154285886
Energy: 2.095699260591566
Energy: 2.3984432078542963
Energy: 2.095699260591566
Energy: 2.1460024154285886
Energy: 2.0956992605907043
Energy: 2.2062569273472334
Energy: 2.4238996294169217
Energy: 2.3941355108695874
Energy: 2.4238996294246746
Energy: 2.206256927344649
Energy: 2.423899629425536
Energy: 2.096167750073743
Energy: 2.266236049398455
Energy: 2.3988530422975294
Energy: 2.2662360494027616
Energy: 2.0961677500728824
Energy: 2.2662360494027616
Energy: 2.146490075060444
Energy: 2.0964341564220357
Energy: 2.39390290936918
Energy: 2.0964341564237583
Energy: 2.146490075061305
Energy: 2.096434156427204
Energy: 2.1356583189423803
Energy: 2.195975600146815
Energy: 2.1400502925258853
Energy: 2.1959756001476767
Energy: 2.1356583189415193
Energy: 2.1959756001407853
Energy: 2.2443121586622645
Energy: 2.0972695460244446
Energy: 2.1453281995335085
Energy: 2.0972695460287514
Energy: 2.2443121586622645
Energy: 2.097269546026167
Energy: 2.2488898172635134
Energy: 2.281126933102276
Energy: 2.146121736192293
Energy: 2.281126933101415
Energy: 2.2488898172635134
Energy: 2.281126933102276
Energy: 2.146800335379531
Energy: 2.198163611085871
Energy: 2.1369612080060003
Energy: 2.1981636110884555
Energy: 2.1468003353786695
Energy: 2.1981636110867324
Energy: 2.1333446057535066
Energy: 2.0975281428673127
Energy: 2.3922733540657783
Energy: 2.0975281428638666
Energy: 2.133344605752645
Energy: 2.0975281428673127

minimum gb energy = 2.0928439583540603 eV
minimum distance =  2.38991639405278 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.300837276529506
Energy: 2.1393335626431473
Energy: 2.948385512387613
Energy: 2.13933356264252
Energy: 2.300837276529506
Energy: 2.1393335626412644
Energy: 2.241547548811942
Energy: 2.141404979982119
Energy: 2.118747232605121
Energy: 2.141404979982119
Energy: 2.241547548811942
Energy: 2.1414049799814916
Energy: 2.1210485252579017
Energy: 2.2612307507257965
Energy: 2.461545037719526
Energy: 2.261230750723913
Energy: 2.1210485252579017
Energy: 2.261230750726424
Energy: 2.1990680959363993
Energy: 2.1197350106190287
Energy: 2.250266097568823
Energy: 2.1197350106171458
Energy: 2.199068095937027
Energy: 2.1197350106190287
Energy: 2.139163649879497
Energy: 2.196280599472369
Energy: 2.282747233338439
Energy: 2.1962805994704855
Energy: 2.1391636498788698
Energy: 2.1962805994704855
Energy: 2.234940294475996
Energy: 2.238458884460083
Energy: 2.1398651796639037
Energy: 2.238458884458828
Energy: 2.234940294475996
Energy: 2.238458884458828
Energy: 2.142353827903629
Energy: 2.234833547303691
Energy: 2.1374769682110064
Energy: 2.234833547305574
Energy: 2.142353827904257
Energy: 2.2348335473049463
Energy: 2.307317000738377
Energy: 2.1980812483112224
Energy: 2.1355426974573835
Energy: 2.19808124831185
Energy: 2.3073170007377493
Energy: 2.19808124831185
Energy: 2.2489180072553996
Energy: 2.120243475236902
Energy: 2.2550601649581608
Energy: 2.120243475236902
Energy: 2.2489180072553996
Energy: 2.120243475236902
Energy: 2.431130093012816
Energy: 2.258421914320309
Energy: 2.1274326461137654
Energy: 2.2584219143215645
Energy: 2.431130093012816
Energy: 2.2584219143215645
Energy: 2.120736553753546
Energy: 2.185588388924533
Energy: 2.7297058083730468
Energy: 2.1855883889257885
Energy: 2.120736553752291
Energy: 2.1855883889257885
Energy: 2.141922039978371
Energy: 2.139904571426096
Energy: 2.3017091236798617
Energy: 2.1399045714267237
Energy: 2.1419220399777434
Energy: 2.1399045714273512
Energy: 2.1183558673204184
Energy: 2.1427179824804896
Energy: 2.254274086156566
Energy: 2.1427179824798617
Energy: 2.118355867319163
Energy: 2.142717982481117
Energy: 2.251436401641513
Energy: 2.1192138722474145
Energy: 2.1274096998370404
Energy: 2.1192138722480425
Energy: 2.251436401642141
Energy: 2.1192138722480425
Energy: 2.2513100118592138
Energy: 2.120416142474739
Energy: 2.153373367161756
Energy: 2.120416142475367
Energy: 2.2513100118585863
Energy: 2.1204161424759946
Energy: 2.2343424615998813
Energy: 2.2555011781672474
Energy: 2.1348160148220217
Energy: 2.25550117816662
Energy: 2.2343424616005088
Energy: 2.2555011781672474
Energy: 2.1511111963057874
Energy: 2.1407985772385403
Energy: 2.2345419090259817
Energy: 2.1407985772397953
Energy: 2.151111196306415
Energy: 2.1407985772379123
Energy: 2.152030828343236
Energy: 2.237029952590049
Energy: 2.1393399735236187
Energy: 2.237029952590677
Energy: 2.152030828343236
Energy: 2.237029952590049
Energy: 2.1516428084003496
Energy: 2.1377008159755757
Energy: 2.25136333289924
Energy: 2.137700815974948
Energy: 2.1516428084003496
Energy: 2.137700815974948
Energy: 2.1221435146490415
Energy: 2.461266733918804
Energy: 2.2514251799181473
Energy: 2.461266733919432
Energy: 2.1221435146490415
Energy: 2.461266733919432
Energy: 2.1205164675293364
Energy: 2.2562173558659966
Energy: 2.1454993559130346
Energy: 2.256217355867879
Energy: 2.1205164675249426
Energy: 2.256217355867879
Energy: 2.7691545567983287
Energy: 2.1252232823528137
Energy: 2.1191940991327924
Energy: 2.125223282351558
Energy: 2.7691545567970737
Energy: 2.1252232823509303
Energy: 2.5276588071143506
Energy: 2.666600096961931
Energy: 2.1409104893650763
Energy: 2.666600096961303
Energy: 2.5276588071143506
Energy: 2.6666000969606753
Energy: 2.1216371309587814
Energy: 2.370170398642087
Energy: 2.1403390032398275
Energy: 2.370170398645225
Energy: 2.1216371309594084
Energy: 2.370170398645225
Energy: 2.1205741527363235
Energy: 2.460843021157866
Energy: 2.252305840657127
Energy: 2.4608430211553554
Energy: 2.120574152735696
Energy: 2.4608430211553554
Energy: 2.152842013946939
Energy: 2.121739645966747
Energy: 2.2570094352425
Energy: 2.121739645966119
Energy: 2.152842013946939
Energy: 2.1217396459654916
Energy: 2.1248088497570876
Energy: 2.370978099548436
Energy: 2.234336612165216
Energy: 2.3709780995471808
Energy: 2.12480884975646
Energy: 2.370978099548436
Energy: 2.2394706805541413
Energy: 2.6661465486229905
Energy: 2.239476298067701
Energy: 2.666146548621735
Energy: 2.239470680552886
Energy: 2.666146548622363
Energy: 2.234426600882712
Energy: 2.371237932042098
Energy: 2.151539004052679
Energy: 2.3712379320433534
Energy: 2.23442660088334
Energy: 2.371237932042726
Energy: 2.2572527229803288
Energy: 2.121706879502301
Energy: 2.1529320619107377
Energy: 2.121706879503556
Energy: 2.2572527229803288
Energy: 2.121706879501046
Energy: 2.2520763017047902
Energy: 2.460947118401508
Energy: 2.120590681685908
Energy: 2.460947118401508
Energy: 2.2520763017054177
Energy: 2.460947118401508
Energy: 2.1403865489516645
Energy: 2.370425675394123
Energy: 2.121651973259824
Energy: 2.370425675394123
Energy: 2.1403865489522924
Energy: 2.370425675396006
Energy: 2.140783685729535
Energy: 2.6666040452104443
Energy: 2.773574352402467
Energy: 2.666604045209189
Energy: 2.140783685729535
Energy: 2.666604045209189
Energy: 2.1192253560264174
Energy: 2.125273186973857
Energy: 2.7686550691183087
Energy: 2.1252731869744843
Energy: 2.1192253560270453
Energy: 2.125273186975112
Energy: 2.145365697217934
Energy: 2.2563615795777956
Energy: 2.1205633056840227
Energy: 2.2563615795771685
Energy: 2.145365697217934
Energy: 2.2563615795771685
Energy: 2.251265153697344
Energy: 2.4609108531311557
Energy: 2.1221828378398717
Energy: 2.460910853130528
Energy: 2.251265153697344
Energy: 2.460910853133666

minimum gb energy = 2.118355867319163 eV
minimum distance =  2.38697500200618 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 2.0401451286146615
Energy: 2.04061865214883
Energy: 3.2044313679467633
Energy: 2.0406186521481224
Energy: 2.0401451286146615
Energy: 2.0406186521476775
Energy: 2.040574054523387
Energy: 2.041032809718906
Energy: 2.0401632244406107
Energy: 2.0410328097200585
Energy: 2.0405740545187747
Energy: 2.041032809720268
Energy: 2.0401687224267837
Energy: 2.041173341766024
Energy: 2.3266580582045937
Energy: 2.0411733417650804
Energy: 2.040168722426548
Energy: 2.0411733417662337
Energy: 3.2044313679462917
Energy: 2.0406186521490395
Energy: 2.0401451286148977
Energy: 2.04061865214883
Energy: 3.2044313679458463
Energy: 2.0406186521492757
Energy: 2.040163224441056
Energy: 2.041032809719351
Energy: 2.0405740545190105
Energy: 2.041032809720268
Energy: 2.040163224440847
Energy: 2.0410328097191153
Energy: 2.0321324279357453
Energy: 2.0411733417662337
Energy: 2.040168722427465
Energy: 2.0411733417653166
Energy: 2.032132427946359
Energy: 2.0411733417662337
Energy: 2.0401451286141903
Energy: 2.0406186521490395
Energy: 2.6401592393958833
Energy: 2.0406186521490395
Energy: 2.0401451286141903
Energy: 2.040618652147441
Energy: 2.0405740545132454
Energy: 2.041032809720268
Energy: 2.040163224440375
Energy: 2.041032809719587
Energy: 2.040574054516259
Energy: 2.0410328097200585
Energy: 2.040168722427465
Energy: 2.0411733417648716
Energy: 2.032132427653854
Energy: 2.0411733417650804
Energy: 2.040168722427465
Energy: 2.0411733417667053
Energy: 2.3974564024672413
Energy: 2.0406186521483582
Energy: 2.0401451286146615
Energy: 2.0406186521469696
Energy: 2.3974564024686305
Energy: 2.0406186521479124

minimum gb energy = 2.032132427653854 eV
minimum distance =  2.39034608875912 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.5651509785597026
Energy: 2.5675030147548576
Energy: 2.1982058496644825
Energy: 2.5675030147548576
Energy: 2.5651509785603928
Energy: 2.5675030147555478
Energy: 2.7821970131536458
Energy: 2.2120206269685467
Energy: 2.1183585806519
Energy: 2.2120206269664764
Energy: 2.7821970131536458
Energy: 2.2120206269664764
Energy: 2.1383212002560303
Energy: 2.139716955088611
Energy: 2.2480078359464093
Energy: 2.1397169550899906
Energy: 2.1383212002560303
Energy: 2.1397169550899906
Energy: 2.139252801718984
Energy: 2.5569847206572427
Energy: 2.2206625442386745
Energy: 2.556984720657933
Energy: 2.1392528017203642
Energy: 2.5569847206565526
Energy: 2.1956026210972577
Energy: 2.1893592735949863
Energy: 2.3370038420302985
Energy: 2.189359273598437
Energy: 2.1956026210972577
Energy: 2.1893592735970566
Energy: 2.371695994609011
Energy: 2.212292452326967
Energy: 2.1214583639108047
Energy: 2.2122924523248964
Energy: 2.371695994609011
Energy: 2.2122924523248964
Energy: 2.1957724022009115
Energy: 2.1925465593770235
Energy: 2.4457358686547255
Energy: 2.1925465593770235
Energy: 2.1957724022009115
Energy: 2.1925465593784037
Energy: 2.1904004447033674
Energy: 2.5575013289544284
Energy: 2.219253425156852
Energy: 2.5575013289551185
Energy: 2.1904004447033674
Energy: 2.5575013289564676
Energy: 2.139218523956374
Energy: 2.1387472718899345
Energy: 2.569151017694052
Energy: 2.1387472718871736
Energy: 2.139218523956374
Energy: 2.1387472718899345
Energy: 2.1393396975902883
Energy: 2.211953250395976
Energy: 2.1175634595606434
Energy: 2.211953250399426
Energy: 2.1393396975902883
Energy: 2.211953250398046
Energy: 2.565211434841749
Energy: 2.3240630252754544
Energy: 2.2122015413292986
Energy: 2.324063025269934
Energy: 2.565211434841749
Energy: 2.3240630252692434
Energy: 2.5659483406485895
Energy: 2.1613653391192096
Energy: 2.1177518342827883
Energy: 2.161365339117139
Energy: 2.565948340647899
Energy: 2.1613653391164487
Energy: 2.1392020688452367
Energy: 2.288235796059301
Energy: 2.1173196550917353
Energy: 2.2882357960634416
Energy: 2.1392020688452367
Energy: 2.288235796061371
Energy: 2.1390843736609515
Energy: 2.336611150967272
Energy: 2.2183973682303852
Energy: 2.336611150968652
Energy: 2.1390843736609515
Energy: 2.3366111509727925
Energy: 2.19336096669595
Energy: 2.326044676104807
Energy: 2.2195411858558507
Energy: 2.3260446761034266
Energy: 2.19336096669595
Energy: 2.3260446761034266
Energy: 2.1915261447669545
Energy: 2.2123136911517056
Energy: 2.1210754029698147
Energy: 2.212313691150325
Energy: 2.1915261447676446
Energy: 2.2123136911510155
Energy: 2.193079990829843
Energy: 2.336762237134482
Energy: 2.1209627068773655
Energy: 2.3367622371199905
Energy: 2.193079990829843
Energy: 2.336762237141383
Energy: 2.1906863653979234
Energy: 2.358796830498871
Energy: 2.2191805571291647
Energy: 2.3587968305016314
Energy: 2.1906863653979234
Energy: 2.3587968305023215
Energy: 2.138816596147909
Energy: 2.5652194551679774
Energy: 2.2188235749238907
Energy: 2.5652194551672873
Energy: 2.138816596147909
Energy: 2.565219455166597
Energy: 2.1385287815208187
Energy: 2.2139304035110836
Energy: 2.1182469825054686
Energy: 2.2139304035069434
Energy: 2.1385287815208187
Energy: 2.2139304035055627
Energy: 2.5657985525376903
Energy: 2.31048716061665
Energy: 2.118332219937868
Energy: 2.3104871606214803
Energy: 2.565798552537
Energy: 2.3104871606207906
Energy: 2.588980451262507
Energy: 2.3266908078978314
Energy: 2.2118298423002787
Energy: 2.3266908078985216
Energy: 2.588980451261817
Energy: 2.326690807899212
Energy: 2.140631236236483
Energy: 2.2118437642473774
Energy: 2.117698446212114
Energy: 2.2118437642473774
Energy: 2.140631236236483
Energy: 2.2118437642466873
Energy: 2.139030698782875
Energy: 2.139183484420328
Energy: 2.55604659709709
Energy: 2.139183484419638
Energy: 2.139030698782875
Energy: 2.1391834844182576
Energy: 2.1911627563781537
Energy: 2.3587257215648227
Energy: 2.218606118398892
Energy: 2.3587257215634425
Energy: 2.191162756378844
Energy: 2.358725721566203
Energy: 2.1930679408432634
Energy: 2.5984388427285845
Energy: 2.210522205328955
Energy: 2.5984388427216834
Energy: 2.193067940841883
Energy: 2.5984388427209932
Energy: 2.190989215782725
Energy: 2.2123998870088952
Energy: 2.13363345242816
Energy: 2.2123998870178667
Energy: 2.190989215782725
Energy: 2.2123998870116557
Energy: 2.1928764353891066
Energy: 2.191153563695414
Energy: 2.5561039948437148
Energy: 2.191153563693343
Energy: 2.1928764353884165
Energy: 2.191153563694033
Energy: 2.2866924826538946
Energy: 2.5563854606678187
Energy: 2.220718930067682
Energy: 2.556385460669199
Energy: 2.2866924826538946
Energy: 2.5563854606671286
Energy: 2.139474752579652
Energy: 2.1398735944182192
Energy: 2.3362614040490866
Energy: 2.139873594416839
Energy: 2.1394747525789617
Energy: 2.139873594416839
Energy: 2.782142727015877
Energy: 2.2116167125419994
Energy: 2.1172057235476696
Energy: 2.2116167125433797
Energy: 2.7821427270165673
Energy: 2.2116167125426895
Energy: 2.566015013898108
Energy: 2.5675177938897855
Energy: 2.213067345558512
Energy: 2.5675177938946163
Energy: 2.5660150138987987
Energy: 2.5675177938946163
Energy: 2.189523720702126
Energy: 2.217149559459024
Energy: 2.116929380820346
Energy: 2.217149559457644
Energy: 2.1895237207041958
Energy: 2.217149559458334

minimum gb energy = 2.116929380820346 eV
minimum distance =  2.34249867457011 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.3582260453454467
Energy: 2.5449192066326414
Energy: 2.27890814194006
Energy: 2.5449192066296913
Energy: 2.3582260453454467
Energy: 2.5449192066296913
Energy: 2.5241304266957534
Energy: 2.281398135256082
Energy: 2.171532611172759
Energy: 2.2813981352531325
Energy: 2.52413042669182
Energy: 2.2813981352531325
Energy: 2.1434668640639205
Energy: 2.2507895323681653
Energy: 2.395438091560094
Energy: 2.250789532367182
Energy: 2.1434668640639205
Energy: 2.2507895323681653
Energy: 2.6040726178984386
Energy: 2.542204230768377
Energy: 2.2869842590128453
Energy: 2.542204230765427
Energy: 2.604072617899422
Energy: 2.542204230762477
Energy: 2.287269570891752
Energy: 2.419064503161116
Energy: 2.773808256504502
Energy: 2.4190645031001954
Energy: 2.287269570891752
Energy: 2.419064503162099
Energy: 2.283334989364353
Energy: 2.163681507622824
Energy: 2.1534675961223533
Energy: 2.163681507624791
Energy: 2.2833349893653363
Energy: 2.163681507624791
Energy: 2.1591485374168515
Energy: 2.2828135913818133
Energy: 2.175139166230918
Energy: 2.2828135913818133
Energy: 2.1591485374168515
Energy: 2.2828135913827965
Energy: 2.282470410453968
Energy: 2.514008729515289
Energy: 2.657051236620136
Energy: 2.514008729514306
Energy: 2.282470410452985
Energy: 2.5140087295133227
Energy: 2.2882934076266
Energy: 2.2829538184683296
Energy: 2.658063335770027
Energy: 2.282953818466363
Energy: 2.2882934076266
Energy: 2.282953818466363
Energy: 2.280467333367093
Energy: 2.2913451712729445
Energy: 2.1606548926507654
Energy: 2.2913451712729445
Energy: 2.280467333367093
Energy: 2.2913451712719612
Energy: 2.2864247163098925
Energy: 2.162034986684418
Energy: 2.164736262007502
Energy: 2.1620349866814683
Energy: 2.2864247163089093
Energy: 2.162034986684418
Energy: 2.2841495931083386
Energy: 2.2707227555908354
Energy: 2.2830292197127084
Energy: 2.270722755585919
Energy: 2.2841495931083386
Energy: 2.270722755585919
Energy: 2.170964464433815
Energy: 2.1629149893719264
Energy: 2.284491721234551
Energy: 2.1629149893689763
Energy: 2.170964464433815
Energy: 2.162914989367993
Energy: 2.1611810488586047
Energy: 2.280417816399634
Energy: 2.281616912613818
Energy: 2.280417816398651
Energy: 2.1611810488586047
Energy: 2.280417816398651
Energy: 2.7741584478200267
Energy: 2.38795848960866
Energy: 2.2872283330844994
Energy: 2.3879584896165262
Energy: 2.7741584478200267
Energy: 2.3879584896076764
Energy: 2.739473425798787
Energy: 2.4190705689846967
Energy: 2.2815363007506027
Energy: 2.41907056897978
Energy: 2.7394734258037037
Energy: 2.4190705689807634
Energy: 2.1686299109542904
Energy: 2.2858783644832625
Energy: 2.2879895665048195
Energy: 2.2858783644832625
Energy: 2.1686299109552736
Energy: 2.2858783644832625
Energy: 2.1509711480712856
Energy: 2.1648550545875747
Energy: 2.2828526694556817
Energy: 2.164855054588558
Energy: 2.1509711480712856
Energy: 2.1648550545905243
Energy: 2.620968146034463
Energy: 2.558695343360366
Energy: 2.2898431979872145
Energy: 2.558695343359383
Energy: 2.6209681460600294
Energy: 2.5586953433623325
Energy: 2.288528215082675
Energy: 2.4121330719121774
Energy: 2.420855475603587
Energy: 2.412133071908244
Energy: 2.288528215082675
Energy: 2.412133071911194
Energy: 2.512050330428502
Energy: 2.3174852661973477
Energy: 2.1611420236366348
Energy: 2.317485266200298
Energy: 2.512050330429485
Energy: 2.3174852661993146
Energy: 2.16989921557477
Energy: 2.2817217182040364
Energy: 2.511530509382963
Energy: 2.2817217182040364
Energy: 2.16989921557477
Energy: 2.2817217182040364
Energy: 2.184214289163265
Energy: 2.642695278551819
Energy: 2.207831699432997
Energy: 2.642695278543953
Energy: 2.184214289162282
Energy: 2.642695278543953

minimum gb energy = 2.1434668640639205 eV
minimum distance =  2.31835171515994 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.4342444442127698
Energy: 2.740018678883276
Energy: 2.9895701601936913
Energy: 2.7400186788845238
Energy: 2.4342444442133933
Energy: 2.7400186788845238
Energy: 2.7586669484876762
Energy: 2.417394109906159
Energy: 2.13622441121019
Energy: 2.417394109906159
Energy: 2.7586669484876762
Energy: 2.417394109907407
Energy: 2.1382869635473
Energy: 2.201668668349865
Energy: 2.653101310330825
Energy: 2.201668668350489
Energy: 2.138286963546676
Energy: 2.201668668350489
Energy: 2.1958071332367455
Energy: 2.390085969527995
Energy: 2.1529979342804766
Energy: 2.3900859695286183
Energy: 2.195807133237369
Energy: 2.3900859695286183
Energy: 2.3926377787522255
Energy: 2.563527020128808
Energy: 2.38940499533178
Energy: 2.563527020129432
Energy: 2.3926377787516016
Energy: 2.563527020131304
Energy: 2.3904622041306762
Energy: 2.1441474204978586
Energy: 2.13839651845667
Energy: 2.1441474204991064
Energy: 2.3904622041369143
Energy: 2.1441474204991064
Energy: 2.128748641794624
Energy: 2.1448762325369777
Energy: 2.1455535675940998
Energy: 2.1448762325363537
Energy: 2.128748641794624
Energy: 2.14487623253573
Energy: 2.144004575257929
Energy: 2.1286726098714897
Energy: 2.3915933069863997
Energy: 2.1286726098714897
Energy: 2.1440045752560573
Energy: 2.1286726098721136
Energy: 2.389169947448357
Energy: 2.416474612113053
Energy: 2.3923379040511263
Energy: 2.416474612113053
Energy: 2.389169947448357
Energy: 2.416474612113053
Energy: 2.1534565174831966
Energy: 2.140473505483313
Energy: 2.1281919829158027
Energy: 2.147829182599508
Energy: 2.1534565174831966
Energy: 2.4246228846008893
Energy: 2.1364588139430802
Energy: 2.143978138932402
Energy: 2.1467666076465926
Energy: 2.1439781389311543
Energy: 2.136458813941833
Energy: 2.143978138930531
Energy: 2.135907329736451
Energy: 2.277064960529798
Energy: 2.7567030179554277
Energy: 2.277064960527927
Energy: 2.135907329735827
Energy: 2.2770649605285507
Energy: 2.4138542149145974
Energy: 2.5786713511672112
Energy: 2.434354561788536
Energy: 2.578671351168459
Energy: 2.4138542149145974
Energy: 2.578671351168459
Energy: 2.137687895624966
Energy: 2.5735456488991177
Energy: 2.1356694716906137
Energy: 2.5735456489003647
Energy: 2.137687895624966
Energy: 2.5735456488997417
Energy: 2.4752739906835566
Energy: 2.1995126530962787
Energy: 2.1371414800554134
Energy: 2.1995126530969027
Energy: 2.4752739906835566
Energy: 2.1995126530962787
Energy: 2.1529877744329458
Energy: 2.386358010400318
Energy: 2.615467090736369
Energy: 2.386358010400942
Energy: 2.1529877744335697
Energy: 2.3863580103996944
Energy: 2.5368058633317405
Energy: 2.5621308355137717
Energy: 2.39223607941982
Energy: 2.562130835516267
Energy: 2.536805857518016
Energy: 2.562130835515643
Energy: 2.130339917742758
Energy: 2.1439221856860393
Energy: 2.460552433355154
Energy: 2.143922185687287
Energy: 2.130339917742134
Energy: 2.143922185687287
Energy: 2.259227024957396
Energy: 2.1515135526165503
Energy: 2.1287760987110156
Energy: 2.1515135526171743
Energy: 2.259227024957396
Energy: 2.1515135526165503
Energy: 2.396274834690154
Energy: 2.5622581433407614
Energy: 2.1445295279837775
Energy: 2.562258143339514
Energy: 2.39627483468953
Energy: 2.56225814333889
Energy: 2.745391024830363
Energy: 2.392909389627617
Energy: 2.1557404949130894
Energy: 2.392909389627617
Energy: 2.7453910248309863
Energy: 2.392909389624498
Energy: 2.1370961273164095
Energy: 2.151101101580122
Energy: 2.390047844920698
Energy: 2.1511011015794983
Energy: 2.1370961273164095
Energy: 2.151101101580122
Energy: 2.153101800939721
Energy: 2.146070834252543
Energy: 2.140883750493817
Energy: 2.1460708342519195
Energy: 2.153101800940345
Energy: 2.1460708342487997
Energy: 2.433992552235471
Energy: 2.429581205673895
Energy: 2.131618727147306
Energy: 2.429581205673271
Energy: 2.4339925522373425
Energy: 2.429581205673895
Energy: 2.7568647237297266
Energy: 2.273898350028434
Energy: 2.136436165726698
Energy: 2.273898350029058
Energy: 2.7568647237297266
Energy: 2.273898350028434
Energy: 2.1442785585994497
Energy: 2.1435558727935735
Energy: 2.1365155411086096
Energy: 2.143555872794197
Energy: 2.1442785585994497
Energy: 2.143555872795445
Energy: 2.137614839050904
Energy: 2.1468153069899523
Energy: 2.389317719718549
Energy: 2.146815306993695
Energy: 2.137614839049656
Energy: 2.1468153069899523
Energy: 2.3909603106343673
Energy: 2.394123554834723
Energy: 2.153611623617158
Energy: 2.3941235548353466
Energy: 2.390960310634991
Energy: 2.3941235548353466
Energy: 2.392868691439473
Energy: 2.1300760008399164
Energy: 2.1436926647395755
Energy: 2.130076000798802
Energy: 2.3928686914400967
Energy: 2.1300760008817106
Energy: 2.1446566767466138
Energy: 2.1461885930565536
Energy: 2.1300374947509892
Energy: 2.1461885930559297
Energy: 2.14465667674599
Energy: 2.1461885930559297
Energy: 2.1279300371254632
Energy: 2.349025001653087
Energy: 2.745372160833584
Energy: 2.3490250016537106
Energy: 2.127930037126711
Energy: 2.3490250016537106
Energy: 2.3916268558733402
Energy: 2.562462718093879
Energy: 2.396319713036296
Energy: 2.562462718097622
Energy: 2.3916268558733402
Energy: 2.5624627180951265
Energy: 2.1506702292039126
Energy: 2.385477438889039
Energy: 2.6023732989774846
Energy: 2.3854774388877913
Energy: 2.1506702292032887
Energy: 2.3854774388871673
Energy: 2.666917785094059
Energy: 2.199814074446017
Energy: 2.1368645393632737
Energy: 2.1998140744466403
Energy: 2.666917785094059
Energy: 2.199814074446017
Energy: 2.1326563133205263
Energy: 2.417068665345181
Energy: 2.5778916563048497
Energy: 2.417068665345181
Energy: 2.132656313319279
Energy: 2.417068665345805
Energy: 2.414527054718029
Energy: 2.5764089073766328
Energy: 2.4379261367065737
Energy: 2.5764089073772567
Energy: 2.414527054716781
Energy: 2.5764089073772567
Energy: 2.1409006550809098
Energy: 2.582448436238954
Energy: 2.756652513476007
Energy: 2.5824484362377067
Energy: 2.140900655080286
Energy: 2.5824484362383306

minimum gb energy = 2.1279300371254632 eV
minimum distance =  2.30927826502168 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.0149107817062637
Energy: 1.9721204047230065
Energy: 2.8679583340614143
Energy: 1.9721204047247096
Energy: 2.0149107817062637
Energy: 1.9721204047247096
Energy: 2.7613458670148243
Energy: 1.9674613878911593
Energy: 1.9659803887995357
Energy: 1.967461387889456
Energy: 2.7613458670182305
Energy: 1.967461387887753
Energy: 2.0347008363660564
Energy: 2.1663712994505473
Energy: 1.9663475487299698
Energy: 2.1663712994522504
Energy: 2.0347008363660564
Energy: 2.1663712994505473
Energy: 2.746022276606619
Energy: 1.9670105241846316
Energy: 1.965874051163571
Energy: 1.9670105241846316
Energy: 2.746022276606619
Energy: 1.9670105241863347
Energy: 2.0136706956878405
Energy: 2.477600616999638
Energy: 1.9675437678722831
Energy: 2.477600616999638
Energy: 2.0136706956878405
Energy: 2.4776006170013414
Energy: 2.010223295911564
Energy: 2.070423706495368
Energy: 1.976017956578823
Energy: 2.070423706495368
Energy: 2.010223295911564
Energy: 2.070423706495368
Energy: 2.7432994055794895
Energy: 1.9669261640856046
Energy: 1.9668084685073408
Energy: 1.9669261640839013
Energy: 2.7432994055794895
Energy: 1.9669261640839013
Energy: 2.0138538647815376
Energy: 1.9661413567091757
Energy: 1.9744459734919464
Energy: 1.9661413567074724
Energy: 2.013853864779834
Energy: 1.9661413567074724
Energy: 2.6969545823360828
Energy: 2.0756921621459856
Energy: 1.9666151794075977
Energy: 2.075692162144282
Energy: 2.6969545823360828
Energy: 2.075692162144282
Energy: 2.0159977529772433
Energy: 2.477074467707819
Energy: 1.9669738119011384
Energy: 2.477074467709522
Energy: 2.0159977529772433
Energy: 2.477074467707819
Energy: 2.7045836239790164
Energy: 1.974521693520188
Energy: 1.9723824094982492
Energy: 1.9745216935218906
Energy: 2.7045836239790164
Energy: 1.9745216935218906
Energy: 2.0309679027770153
Energy: 2.1653584141223137
Energy: 2.739210212537084
Energy: 2.1653584141206106
Energy: 2.0309679027770153
Energy: 2.1653584141206106
Energy: 2.704735202297223
Energy: 1.9747095856370038
Energy: 1.9723747960419213
Energy: 1.9747095856370038
Energy: 2.704735202297223
Energy: 1.9747095856370038
Energy: 2.015985828443502
Energy: 2.4771647025875803
Energy: 1.9670409585754314
Energy: 2.477164702590986
Energy: 2.015985828441799
Energy: 2.4771647025892833

minimum gb energy = 1.965874051163571 eV
minimum distance =  2.37057695600781 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.5425417217631465
Energy: 2.2030258836243344
Energy: 2.914672155109995
Energy: 2.2030258836243344
Energy: 2.5425417217631465
Energy: 2.2030258836243344
Energy: 2.6509329987832557
Energy: 2.4930888830595337
Energy: 2.2039692624055083
Energy: 2.493088883060282
Energy: 2.6509329987825074
Energy: 2.4930888830587854
Energy: 2.203517732847798
Energy: 2.4399134606508692
Energy: 2.2020252480344986
Energy: 2.4399134606508692
Energy: 2.2035177328470503
Energy: 2.439913460650121
Energy: 2.226855396044711
Energy: 2.230790959138143
Energy: 2.203670138110976
Energy: 2.230790959138143
Energy: 2.226855396044711
Energy: 2.230790959137395
Energy: 2.46938163200824
Energy: 2.4716178407038734
Energy: 2.216312720471596
Energy: 2.4716178407046216
Energy: 2.4693816320089876
Energy: 2.4716178407046216
Energy: 2.231843414154074
Energy: 2.4796352752107187
Energy: 2.4711651623973188
Energy: 2.4796352752107187
Energy: 2.23184341415557
Energy: 2.4796352752107187
Energy: 2.2268998296736564
Energy: 2.5773827796194873
Energy: 2.2321039235719775
Energy: 2.5773827796202355
Energy: 2.2268998296736564
Energy: 2.5773827796202355
Energy: 2.2047116595493543
Energy: 2.2303913701274514
Energy: 2.3386560277891077
Energy: 2.2303913701281997
Energy: 2.2047116595493543
Energy: 2.2303913701281997
Energy: 2.548956188354669
Energy: 2.295407702126225
Energy: 2.2074063884710418
Energy: 2.295407702125477
Energy: 2.548956188354669
Energy: 2.295407702126225
Energy: 2.2003256070184367
Energy: 2.5900339929916925
Energy: 2.3571220562959594
Energy: 2.5900339929924403
Energy: 2.2003256070169397
Energy: 2.5900339929924403
Energy: 2.339515969046851
Energy: 2.2051760687994975
Energy: 2.5066392053982516
Energy: 2.2051760687994975
Energy: 2.339515969047599
Energy: 2.2051760687994975
Energy: 2.2033491259412177
Energy: 2.506412408439415
Energy: 2.5063834521632504
Energy: 2.506412408439415
Energy: 2.2033491259412177
Energy: 2.506412408439415
Energy: 2.204207602873029
Energy: 2.438077478445034
Energy: 2.498333451514904
Energy: 2.4380774784465298
Energy: 2.2042076028737774
Energy: 2.438077478445782
Energy: 2.216170764829513
Energy: 2.3295533828642725
Energy: 2.2184416736696333
Energy: 2.3295533828642725
Energy: 2.216170764829513
Energy: 2.3295533828642725
Energy: 2.2163287059199837
Energy: 2.517871981116938
Energy: 2.4696158197384017
Energy: 2.5178719811161896
Energy: 2.216328705919236
Energy: 2.517871981116938
Energy: 2.744123489695692
Energy: 2.5772738076878223
Energy: 2.2333649763306576
Energy: 2.5772738076878223
Energy: 2.74412348969644
Energy: 2.5772738076870745
Energy: 2.232188237813906
Energy: 2.5787411569589067
Energy: 2.469686138565959
Energy: 2.5787411569566623
Energy: 2.2321882378131583
Energy: 2.5787411569581584
Energy: 2.471339575310481
Energy: 2.517504383958041
Energy: 2.2035139851603565
Energy: 2.5175043839595377
Energy: 2.4713395753112293
Energy: 2.5175043839595377
Energy: 2.2179095702112583
Energy: 2.4384106185127035
Energy: 2.216623515958049
Energy: 2.4384106185127035
Energy: 2.2179095702112583
Energy: 2.4384106185127035
Energy: 2.2074966542236028
Energy: 2.438031052342188
Energy: 2.2026523667821585
Energy: 2.4380310523414397
Energy: 2.2074966542236028
Energy: 2.4380310523406914
Energy: 2.5069703086163195
Energy: 2.5012258243244925
Energy: 2.2017848025725035
Energy: 2.5012258243237446
Energy: 2.5069703086163195
Energy: 2.5012258243237446
Energy: 2.509436170308363
Energy: 2.700537465935143
Energy: 2.491933055509086
Energy: 2.700537465934395
Energy: 2.5094361703091113
Energy: 2.700537465935143
Energy: 2.521976948027543
Energy: 2.5901767411402448
Energy: 2.1986993600339604
Energy: 2.5901767411402448
Energy: 2.521976948027543
Energy: 2.5901767411402448
Energy: 2.213934017072563
Energy: 2.2955834401161086
Energy: 2.550332082285275
Energy: 2.2955834401161086
Energy: 2.213934017073311
Energy: 2.2955834401153608
Energy: 2.3386785455668875
Energy: 2.2296882829057467
Energy: 2.203501219295007
Energy: 2.22968828290425
Energy: 2.3386785455668875
Energy: 2.2296882829049984
Energy: 2.2316850551015124
Energy: 2.4697074524462996
Energy: 2.2219558769282197
Energy: 2.4697074524462996
Energy: 2.2316850551015124
Energy: 2.469707452445551
Energy: 2.4694077198847473
Energy: 2.5076195311057647
Energy: 2.469731941936707
Energy: 2.5076195311072618
Energy: 2.4694077198847473
Energy: 2.5076195311072618
Energy: 2.216248564304365
Energy: 2.4699275885769802
Energy: 2.231812314530431
Energy: 2.4699275885769802
Energy: 2.2162485643036165
Energy: 2.4699275885769802
Energy: 2.206611598794623
Energy: 2.2313343778481283
Energy: 2.2295965971507523
Energy: 2.23133437784738
Energy: 2.2066115987938746
Energy: 2.2313343778481283
Energy: 2.202269582422993
Energy: 2.439995013872317
Energy: 2.2064590149899788
Energy: 2.439995013872317
Energy: 2.202269582423741
Energy: 2.439995013872317
Energy: 2.2045822686353516
Energy: 2.4924382776743776
Energy: 2.649257514341603
Energy: 2.4924382776728815
Energy: 2.2045822686353516
Energy: 2.492438277671385

minimum gb energy = 2.1986993600339604 eV
minimum distance =  2.34945695119442 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.2386211046394324
Energy: 2.238701939031233
Energy: 2.857177509404974
Energy: 2.2387019390325644
Energy: 2.2386211046394324
Energy: 2.2387019390325644
Energy: 2.2440654427144335
Energy: 2.509803492736002
Energy: 2.224834855906857
Energy: 2.2260751950411226
Energy: 2.2440654427144335
Energy: 2.3334010252481514
Energy: 2.2577027511449557
Energy: 2.3500943839806663
Energy: 2.225025616807326
Energy: 2.3500943839806663
Energy: 2.2577027511449557
Energy: 2.3500943839806663
Energy: 2.2249699815673845
Energy: 2.3684442642306895
Energy: 2.224980503738279
Energy: 2.2979570641134766
Energy: 2.224969981566053
Energy: 2.3684075078915168
Energy: 2.2251675004362297
Energy: 2.350093097403854
Energy: 2.2577128112670724
Energy: 2.350093097403854
Energy: 2.2251675004362297
Energy: 2.350093097403854
Energy: 2.2249085829171085
Energy: 2.2262031792004096
Energy: 2.2448158950508024
Energy: 2.2262031791990777
Energy: 2.2249085829171085
Energy: 2.2262031791990777
Energy: 2.559812237047437
Energy: 2.238701939031233
Energy: 2.2386211046394324
Energy: 2.238701939031233
Energy: 2.5598122370487686
Energy: 2.238701939031233
Energy: 2.224834855906857
Energy: 2.2260751950451168
Energy: 2.2440654427144335
Energy: 2.2260751950437854
Energy: 2.224834855906857
Energy: 2.2260751950437854
Energy: 2.2250256168086575
Energy: 2.3500943839819977
Energy: 2.257702751143624
Energy: 2.3500943839806663
Energy: 2.2250256168086575
Energy: 2.3500943839806663
Energy: 2.224980503738279
Energy: 2.3684442642306895
Energy: 2.2249699815673845
Energy: 2.3684075078941804
Energy: 2.224980503738279
Energy: 2.2979570641134766
Energy: 2.2577128112684037
Energy: 2.350093097403854
Energy: 2.2251675004335665
Energy: 2.350093097403854
Energy: 2.2577128112670724
Energy: 2.3500930974051855
Energy: 2.244815895053465
Energy: 2.2262031791990777
Energy: 2.224908582915777
Energy: 2.226203179201741
Energy: 2.2448158950521337
Energy: 2.226203179201741
Energy: 2.2386211046394324
Energy: 2.2387019390325644
Energy: 2.559812237047437
Energy: 2.238701939031233
Energy: 2.2386211046394324
Energy: 2.238701939031233
Energy: 2.2440654427144335
Energy: 2.2260751950411226
Energy: 2.224834855906857
Energy: 2.2260751950437854
Energy: 2.2440654427131013
Energy: 2.2260751950437854
Energy: 2.257702751143624
Energy: 2.3500943839806663
Energy: 2.225025616807326
Energy: 2.3500943839806663
Energy: 2.257702751143624
Energy: 2.3500943839806663
Energy: 2.2249699815673845
Energy: 2.297957064114808
Energy: 2.224980503738279
Energy: 2.2979570641134766
Energy: 2.224969981566053
Energy: 2.3684442642266954
Energy: 2.2251675004362297
Energy: 2.350093097403854
Energy: 2.2577128112670724
Energy: 2.350093097403854
Energy: 2.2251675004362297
Energy: 2.350093097403854

minimum gb energy = 2.224834855906857 eV
minimum distance =  2.39313456719672 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.500765566215863
Energy: 2.49079264804669
Energy: 2.415014465403509
Energy: 2.4907926480499514
Energy: 2.50076556621695
Energy: 2.490792648048864
Energy: 2.413444066059069
Energy: 2.522936854329297
Energy: 2.178879591087406
Energy: 2.5229368543227744
Energy: 2.413444066059069
Energy: 2.522936854323861
Energy: 2.1595406785236926
Energy: 2.159217969589823
Energy: 2.1619177358644293
Energy: 2.1592179695865616
Energy: 2.1595406785236926
Energy: 2.159217969585475
Energy: 2.16272413494635
Energy: 2.1595113305116875
Energy: 2.353096918414262
Energy: 2.1595113305095133
Energy: 2.16272413494635
Energy: 2.1595113305095133
Energy: 2.3629494478543114
Energy: 2.284299487518119
Energy: 2.1634781444023057
Energy: 2.2842994875159452
Energy: 2.3629494478543114
Energy: 2.2842994875170324
Energy: 2.162555615030354
Energy: 2.1607424390216554
Energy: 2.36813879728202
Energy: 2.1607424390216554
Energy: 2.162555615030354
Energy: 2.160742439022742
Energy: 2.1606338014712705
Energy: 2.431337228767014
Energy: 2.139813290408432
Energy: 2.4313372287702752
Energy: 2.160633801472358
Energy: 2.4313372287702752
Energy: 2.358113738373539
Energy: 2.4951981380310024
Energy: 2.1426882048220435
Energy: 2.495198138027741
Energy: 2.358113738373539
Energy: 2.495198138027741
Energy: 2.3566557672239075
Energy: 2.4175689889081577
Energy: 2.3572138746646716
Energy: 2.4175689889081577
Energy: 2.3566557672249946
Energy: 2.4175689889081577
Energy: 2.388576293022872
Energy: 2.525365969107108
Energy: 2.1432746296715126
Energy: 2.5253659691005854
Energy: 2.38857629302396
Energy: 2.5253659691005854
Energy: 2.1616475112771196
Energy: 2.2693197665338
Energy: 2.307672805501607
Energy: 2.2693197665316256
Energy: 2.1616475112782068
Energy: 2.2693197665316256
Energy: 2.160083665070764
Energy: 2.161856378633758
Energy: 2.3562927620500824
Energy: 2.161856378634845
Energy: 2.160083665071851
Energy: 2.161856378634845
Energy: 2.194977275964535
Energy: 2.1801870421791603
Energy: 2.3529919479576753
Energy: 2.180187042175899
Energy: 2.194977275964535
Energy: 2.180187042176986
Energy: 2.1963237905596635
Energy: 2.1610440786631515
Energy: 2.4175182677057694
Energy: 2.1610440786729352
Energy: 2.196323790558576
Energy: 2.161044078671848
Energy: 2.4351351729472754
Energy: 2.4376771043768706
Energy: 2.1399089278577255
Energy: 2.4376771043757834
Energy: 2.4351351729472754
Energy: 2.4376771043757834
Energy: 2.356330206833191
Energy: 2.4173917237883553
Energy: 2.3551161905767675
Energy: 2.417391723786181
Energy: 2.356330206833191
Energy: 2.4173917237872686
Energy: 2.3565115080964865
Energy: 2.3987911413584797
Energy: 2.2401516900350837
Energy: 2.398791141366089
Energy: 2.3565115080964865
Energy: 2.398791141366089
Energy: 2.450284462604109
Energy: 2.4334148298575444
Energy: 2.143345320758648
Energy: 2.4334148298575444
Energy: 2.4502844626051963
Energy: 2.4334148298597187
Energy: 2.1595398116714297
Energy: 2.160608669626336
Energy: 2.469859102291756
Energy: 2.160608669632859
Energy: 2.1595398116714297
Energy: 2.160608669632859
Energy: 2.160721701882002
Energy: 2.2842900852729455
Energy: 2.1420217548535083
Energy: 2.2842900852729455
Energy: 2.160721701882002
Energy: 2.2842900852729455
Energy: 2.159083037136917
Energy: 2.1600099542842592
Energy: 2.3530749776580655
Energy: 2.1600099542820845
Energy: 2.159083037138004
Energy: 2.1600099542820845

minimum gb energy = 2.139813290408432 eV
minimum distance =  2.38665589427854 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.2741780763227695
Energy: 2.12265391807854
Energy: 2.5312061227447087
Energy: 2.1226539180776234
Energy: 2.274178076323686
Energy: 2.1226539180776234
Energy: 2.200116463979728
Energy: 2.20094217701509
Energy: 2.0927078984460823
Energy: 2.2009421770160067
Energy: 2.2001164639788113
Energy: 2.200942177016923
Energy: 2.111393399571957
Energy: 2.1113372643416053
Energy: 2.09286857204515
Energy: 2.111337264342522
Energy: 2.111393399571957
Energy: 2.111337264342522
Energy: 2.0926259464709474
Energy: 2.2617525095279105
Energy: 2.385936424530788
Energy: 2.2617525095279105
Energy: 2.0926259464709474
Energy: 2.2617525095279105
Energy: 2.2008690835387306
Energy: 2.214489758966891
Energy: 2.0936792781901867
Energy: 2.21448975896964
Energy: 2.2008690835387306
Energy: 2.2144897589659744
Energy: 2.110637854102345
Energy: 2.1116914270525213
Energy: 2.1111210423120528
Energy: 2.1116914270525213
Energy: 2.1106378541032615
Energy: 2.1116914270525213
Energy: 2.0930427657257757
Energy: 2.3473853269471308
Energy: 2.0927377287524638
Energy: 2.3473853269471308
Energy: 2.0930427657257757
Energy: 2.3473853269471308
Energy: 2.0935608161006765
Energy: 2.258613755277592
Energy: 2.0933481733361976
Energy: 2.2586137552766754
Energy: 2.0935608161015926
Energy: 2.258613755275759
Energy: 2.234358199816181
Energy: 2.2329427873957526
Energy: 2.3184188998156054
Energy: 2.2329427873957526
Energy: 2.234358199816181
Energy: 2.2329427873957526
Energy: 2.0932346403393667
Energy: 2.4593944219585744
Energy: 2.1570748704119183
Energy: 2.4593944219585744
Energy: 2.0932346403402833
Energy: 2.4593944219576587
Energy: 2.0932312120690852
Energy: 2.4593713255224103
Energy: 2.1574975791648954
Energy: 2.4593713255205776
Energy: 2.0932312120681686
Energy: 2.4593713255205776
Energy: 2.234368879725198
Energy: 2.2328888217189955
Energy: 2.318451422824281
Energy: 2.232888821719912
Energy: 2.234368879725198
Energy: 2.232888821719912
Energy: 2.093570000718632
Energy: 2.2587343355577274
Energy: 2.093315424979804
Energy: 2.258734335558644
Energy: 2.0935700007195477
Energy: 2.2587343355595606
Energy: 2.092800242524844
Energy: 2.3473563491059988
Energy: 2.0926587591370667
Energy: 2.3473563491059988
Energy: 2.09280024252576
Energy: 2.3473563491059988
Energy: 2.1106414484986953
Energy: 2.1119993395727445
Energy: 2.11112434824537
Energy: 2.1119993395699956
Energy: 2.110641448499612
Energy: 2.1119993395699956
Energy: 2.20083408865441
Energy: 2.2144897589687234
Energy: 2.093534535747605
Energy: 2.2144897589659744
Energy: 2.20083408865441
Energy: 2.2144897589678076
Energy: 2.092607686934843
Energy: 2.2619347084857453
Energy: 2.2812676873291
Energy: 2.2619347084866614
Energy: 2.092607686934843
Energy: 2.2619347084857453
Energy: 2.1113847218594843
Energy: 2.1114430686051806
Energy: 2.0930797254107762
Energy: 2.1114430686060963
Energy: 2.1113847218594843
Energy: 2.1114430686051806
Energy: 2.200102159410017
Energy: 2.200844713403217
Energy: 2.092745297287597
Energy: 2.200844713403217
Energy: 2.200102159410933
Energy: 2.2008447134023004
Energy: 2.274178076323686
Energy: 2.1226539180776234
Energy: 2.567065328920824
Energy: 2.1226539180794566
Energy: 2.2741780763227695
Energy: 2.12265391807854
Energy: 2.2001164639788113
Energy: 2.20094217701509
Energy: 2.0927078984469984
Energy: 2.20094217701509
Energy: 2.2001164639788113
Energy: 2.20094217701509
Energy: 2.111393399571957
Energy: 2.111337264342522
Energy: 2.09286857204515
Energy: 2.1113372643416053
Energy: 2.1113933995728726
Energy: 2.111337264342522
Energy: 2.0926259464709474
Energy: 2.2617525095279105
Energy: 2.413805845507431
Energy: 2.2617525095279105
Energy: 2.0926259464709474
Energy: 2.2617525095279105
Energy: 2.2008690835387306
Energy: 2.2144897589687234
Energy: 2.093679278189271
Energy: 2.214489758966891
Energy: 2.2008690835387306
Energy: 2.214489758966891
Energy: 2.1106378541032615
Energy: 2.1116914270525213
Energy: 2.1111210423120528
Energy: 2.1116914270534375
Energy: 2.1106378541032615
Energy: 2.1116914270525213

minimum gb energy = 2.092607686934843 eV
minimum distance =  2.40393445350749 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.259619786746883
Energy: 2.079914556677174
Energy: 2.540906382774487
Energy: 2.079914556677174
Energy: 2.259619786746883
Energy: 2.079914556677174
Energy: 2.140231923088524
Energy: 2.3495997749691724
Energy: 2.052084396075218
Energy: 2.3495997749731274
Energy: 2.140231923088524
Energy: 2.3495997749731274
Energy: 2.0713357395727336
Energy: 2.307579741607822
Energy: 2.051963674122887
Energy: 2.307579741607822
Energy: 2.0713357395727336
Energy: 2.307579741607822
Energy: 2.0632700435923645
Energy: 2.330396034028637
Energy: 2.16701628948435
Energy: 2.3303960340270553
Energy: 2.0632700435923645
Energy: 2.3303960340270553
Energy: 2.0690809110730677
Energy: 2.1207205886517597
Energy: 2.095292264543861
Energy: 2.1207205886533416
Energy: 2.069080911073859
Energy: 2.1207205886525506
Energy: 2.072262569438819
Energy: 2.0950689838132663
Energy: 2.0941239174384436
Energy: 2.095068983810893
Energy: 2.072262569438819
Energy: 2.095068983810102
Energy: 2.067348971649852
Energy: 2.239797468124346
Energy: 2.0942281439849144
Energy: 2.2397974681211825
Energy: 2.067348971649061
Energy: 2.2397974681211825
Energy: 2.1393291715551572
Energy: 2.095127963497518
Energy: 2.0942760719108864
Energy: 2.095127963497518
Energy: 2.1393291715543663
Energy: 2.095127963497518
Energy: 2.075338667455634
Energy: 2.3301771763264423
Energy: 2.193226703470363
Energy: 2.3301771763264423
Energy: 2.075338667455634
Energy: 2.3301771763264423
Energy: 2.067200303722003
Energy: 2.2671424506715505
Energy: 2.052432878481616
Energy: 2.2671424506762605
Energy: 2.067200303722003
Energy: 2.2671424506754696
Energy: 2.138000734251177
Energy: 2.3075195099621
Energy: 2.083920188827433
Energy: 2.3075195099652643
Energy: 2.138000734251177
Energy: 2.3075195099652643
Energy: 2.1107946106256144
Energy: 2.080469772725774
Energy: 2.054002502124408
Energy: 2.080469772723401
Energy: 2.1107946106264053
Energy: 2.0804697727226102
Energy: 2.1104756649629497
Energy: 2.0517578512904464
Energy: 2.052301456768574
Energy: 2.05175785129361
Energy: 2.1104756649621588
Energy: 2.05175785129361
Energy: 2.073466204593132
Energy: 2.30752090206464
Energy: 2.106834926536784
Energy: 2.3075209020630583
Energy: 2.073466204592341
Energy: 2.3075209020630583
Energy: 2.066516496447173
Energy: 2.3301064677519467
Energy: 2.099861517304319
Energy: 2.330106467751156
Energy: 2.066516496446382
Energy: 2.330106467751156
Energy: 2.063827195928311
Energy: 2.1257071930639766
Energy: 2.052573084455223
Energy: 2.125707193060813
Energy: 2.0638271959298935
Energy: 2.125707193060813
Energy: 2.0708301695155904
Energy: 2.1268567671939667
Energy: 2.0516793167850116
Energy: 2.1268567671939667
Energy: 2.0708301695155904
Energy: 2.1268567671939667
Energy: 2.0629734405659175
Energy: 2.1956198767430837
Energy: 2.0535117541231642
Energy: 2.1956198767415014
Energy: 2.0629734405659175
Energy: 2.1956198767407105
Energy: 2.0708204650368267
Energy: 2.1268584883129154
Energy: 2.051679242779125
Energy: 2.126858488312125
Energy: 2.0708204650368267
Energy: 2.126858488312125
Energy: 2.063753338371471
Energy: 2.126515721083164
Energy: 2.0524899107306855
Energy: 2.12651572108079
Energy: 2.06375333837068
Energy: 2.12651572108079
Energy: 2.066550658619083
Energy: 2.3301097598346274
Energy: 2.099825650808773
Energy: 2.3301097598354183
Energy: 2.066550658619083
Energy: 2.3301097598354183
Energy: 2.0735759833624243
Energy: 2.307647054616823
Energy: 2.1069159582954486
Energy: 2.3076470546136587
Energy: 2.0735759833624243
Energy: 2.3076470546136587
Energy: 2.110560257764657
Energy: 2.0517893315509976
Energy: 2.052328915079659
Energy: 2.051789331548625
Energy: 2.110560257764657
Energy: 2.051789331549416
Energy: 2.110823125556293
Energy: 2.0804768027938843
Energy: 2.054128771270412
Energy: 2.0804768027915115
Energy: 2.110823125557084
Energy: 2.0804768027915115
Energy: 2.1379695479751017
Energy: 2.3074808369444484
Energy: 2.05221735159416
Energy: 2.3074808369412847
Energy: 2.1379695479758927
Energy: 2.3074808369404938
Energy: 2.0670752621213655
Energy: 2.2671166517740704
Energy: 2.052452321557101
Energy: 2.2671166517756527
Energy: 2.0670752621221564
Energy: 2.2671166517756527
Energy: 2.075531190374775
Energy: 2.330185074266947
Energy: 2.167112006595076
Energy: 2.3301850742693193
Energy: 2.075531190374775
Energy: 2.3301850742701107
Energy: 2.1392973200025915
Energy: 2.0952478843072027
Energy: 2.094232021197439
Energy: 2.0952478843095754
Energy: 2.1392973200025915
Energy: 2.0952478843103663
Energy: 2.0673281638789076
Energy: 2.2397974681251376
Energy: 2.0942708232438836
Energy: 2.2397974681211825
Energy: 2.0673281638789076
Energy: 2.2397974681211825

minimum gb energy = 2.051679242779125 eV
minimum distance =  2.34306252135856 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.1971278278975936
Energy: 2.0072917786807745
Energy: 2.3232079196416384
Energy: 2.0072917786814695
Energy: 2.197127827896898
Energy: 2.0072917786807745
Energy: 2.0312260878955124
Energy: 2.0165542014297073
Energy: 2.006984365392551
Energy: 2.0165542014297073
Energy: 2.031226087896208
Energy: 2.016554201424145
Energy: 2.013671912346491
Energy: 1.978912625416469
Energy: 2.0067514692362556
Energy: 1.9789126254157736
Energy: 2.013671912345796
Energy: 1.978912625416469
Energy: 1.9769907564009679
Energy: 1.999081343332067
Energy: 2.0793112898810255
Energy: 1.9990813433306767
Energy: 1.9769907564009679
Energy: 2.190498897941119
Energy: 1.9770937527008012
Energy: 1.998441119951079
Energy: 2.0007217803724884
Energy: 1.9984411199517744
Energy: 1.9770937527014967
Energy: 1.9984411199517744
Energy: 2.029181649245459
Energy: 2.174311044387855
Energy: 1.9931539360563995
Energy: 2.174311044388551
Energy: 2.029181649245459
Energy: 2.174311044388551
Energy: 1.9983888759926391
Energy: 2.255466713223236
Energy: 2.003968984870073
Energy: 2.2554667132239317
Energy: 1.9983888759933346
Energy: 2.2554667132239317
Energy: 2.0004870040952114
Energy: 2.060186350466196
Energy: 1.99965949058836
Energy: 2.0331999376049654
Energy: 2.0004870040952114
Energy: 2.3350896538389567
Energy: 1.9777787145094268
Energy: 2.175363061203724
Energy: 2.0286623659321252
Energy: 2.175363061203724
Energy: 1.9777787145080366
Energy: 2.1753630612044192
Energy: 1.979311770099538
Energy: 1.9982600873344663
Energy: 1.9771890679405895
Energy: 1.9982600873351617
Energy: 1.9793117701002332
Energy: 1.9982600873344663
Energy: 2.0483152108757774
Energy: 2.1473428367987277
Energy: 2.049740133647792
Energy: 2.1473428367980327
Energy: 2.0483152108750824
Energy: 2.1473428367980327
Energy: 2.0100354671451126
Energy: 1.9944210868948913
Energy: 1.9776833060277375
Energy: 1.9944210868948913
Energy: 2.010035467144417
Energy: 1.9944210868948913
Energy: 2.0068352179833866
Energy: 1.9782260063159773
Energy: 2.058096399734172
Energy: 1.9782260063166726
Energy: 2.0068352179833866
Energy: 1.9782260063166726
Energy: 2.079591492412101
Energy: 2.029413459951069
Energy: 2.061122660818179
Energy: 2.011677844258386
Energy: 2.079591492412101
Energy: 2.0356210462008426
Energy: 2.0304157444258872
Energy: 2.3114190912828154
Energy: 2.035467926394002
Energy: 2.3114190912828154
Energy: 2.0304157444258872
Energy: 2.3114190912828154
Energy: 2.006841098732343
Energy: 1.9780515063821011
Energy: 2.0157599349871616
Energy: 1.9780515063814064
Energy: 2.006841098731648
Energy: 1.9780515063814064
Energy: 2.003392108707987
Energy: 1.998570988887692
Energy: 1.9771362665204302
Energy: 1.998570988887692
Energy: 2.003392108707292
Energy: 1.998570988887692
Energy: 1.998627864607437
Energy: 1.9990790752267678
Energy: 1.9772134391771645
Energy: 1.9990790752246816
Energy: 1.998627864607437
Energy: 1.9990790752253769
Energy: 2.0004985868101843
Energy: 1.9993372519404913
Energy: 2.037838751115345
Energy: 1.999337251939796
Energy: 2.0004985868108793
Energy: 1.999337251939796
Energy: 2.004987145726938
Energy: 2.255908518847732
Energy: 1.978899617179976
Energy: 2.2559085188484276
Energy: 2.004987145727634
Energy: 2.2559085188484276
Energy: 2.0238359106979
Energy: 2.035197089221235
Energy: 1.9982684807912465
Energy: 2.035197089221235
Energy: 2.0238359106979
Energy: 2.0351970892219304
Energy: 1.9886295392291773
Energy: 2.25109061168802
Energy: 1.9792009053933257
Energy: 2.2510906116866294
Energy: 1.988629539228482
Energy: 2.2510906116866294
Energy: 2.023029326739436
Energy: 2.1751482670688804
Energy: 1.9778169460860644
Energy: 2.1751482670681845
Energy: 2.0230293267387407
Energy: 2.1751482670681845
Energy: 1.9770474252247592
Energy: 2.085185072194769
Energy: 2.095639870598414
Energy: 1.9992105139185758
Energy: 1.9770474252247592
Energy: 2.0851850721933785
Energy: 1.977233038850343
Energy: 2.2249429091177007
Energy: 2.0154452843132815
Energy: 2.2249429091170057
Energy: 1.977233038851038
Energy: 2.2249429091177007
Energy: 2.059062120333941
Energy: 1.9785340804617964
Energy: 2.006961697840526
Energy: 1.9785340804617964
Energy: 2.059062120333246
Energy: 1.9785340804624916
Energy: 2.0613098138100727
Energy: 2.0354904735835087
Energy: 1.996575326941225
Energy: 2.0354904735835087
Energy: 2.0613098138100727
Energy: 2.0354904735835087
Energy: 2.061178136740146
Energy: 2.035244375198087
Energy: 2.0035196256284125
Energy: 2.035244375198087
Energy: 2.061178136740146
Energy: 2.0352443751994773
Energy: 2.18090493755969
Energy: 1.978356049542635
Energy: 2.0761460362311612
Energy: 1.9783560495419397
Energy: 2.1809049375589944
Energy: 1.978356049542635
Energy: 1.9775220026017335
Energy: 2.0036829549606545
Energy: 2.003622555258964
Energy: 2.0036829549627404
Energy: 1.9775220026017335
Energy: 2.003682954962045
Energy: 1.9771026642455067
Energy: 2.001872770116598
Energy: 1.9992427797866534
Energy: 2.0018727701186836
Energy: 1.977102664246202
Energy: 2.0018727701186836
Energy: 2.0596652823823702
Energy: 2.174451688499609
Energy: 1.9937023602862711
Energy: 2.174451688499609
Energy: 2.0596652823823702
Energy: 2.174451688499609
Energy: 1.9775551940279914
Energy: 2.070239725405447
Energy: 1.9980543443350776
Energy: 2.070239725405447
Energy: 1.9775551940279914
Energy: 2.0702397254061427

minimum gb energy = 1.9769907564009679 eV
minimum distance =  2.40147147899534 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019420657672305237
Energy: 0.019910494633258415
Energy: 1.9611518934781214
Energy: 0.0199104946327128
Energy: 0.019420657672305237
Energy: 0.019910494633258415
Energy: 0.020024031734035084
Energy: 1.4885548855846744
Energy: 0.020024031734035084
Energy: 1.4885548855852202
Energy: 0.0200240317345807
Energy: 1.4885548855852202
Energy: 1.81060924493791
Energy: 0.019910494633258415
Energy: 0.019420657672305237
Energy: 0.019910494633258415
Energy: 1.810609244937332
Energy: 0.019910494633258415
Energy: 0.020024031734035084
Energy: 1.4885548855846744
Energy: 0.020024031734035084
Energy: 1.4885548855846744
Energy: 0.020024031734035084
Energy: 1.4885548855852202

minimum gb energy = 0.019420657672305237 eV
minimum distance =  2.72194710870331 Angstroms
sigma value = 1