Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337375544713
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.013335849107213258
Energy: 0.013738365689573484
Energy: 2.826822945014544
Energy: 0.013738365689573484
Energy: 0.013738365689573484
Energy: 0.013994881656093748
Energy: 0.7287594655771056
Energy: 0.013994881656093748
Energy: 2.826822945015524
Energy: 0.7287594655771056
Energy: 0.7287235075731182
Energy: 0.7287594655771056
Energy: 0.013738365689573484
Energy: 0.013994881656093748
Energy: 0.7287594655771056
Energy: 0.013994881656093748

minimum gb energy = 0.013335849107213258 eV
minimum distance =  2.465015866108 Angstroms
sigma value = 1


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

Energy: 1.372514628452334
Energy: 0.901997630526798
Energy: 0.9108084334904403
Energy: 0.9019976305243521
Energy: 1.4046228430703682
Energy: 0.8637550190167755
Energy: 0.9900210142398562
Energy: 0.8637550190167755
Energy: 1.5349609887807214
Energy: 0.9274707444257073
Energy: 0.8972347412107977
Energy: 0.9274707444269302
Energy: 1.2566971877563056
Energy: 0.8661466994188879
Energy: 0.9608427960325645
Energy: 0.8661466994188879
Energy: 1.298829881647469
Energy: 0.8655818999473225
Energy: 1.3032486739512368
Energy: 0.8655818999485455
Energy: 1.428155107645709
Energy: 0.875010363555086
Energy: 0.874729237181649
Energy: 0.875010363555086
Energy: 1.054821374688755
Energy: 0.8761669793331707
Energy: 0.874653980462617
Energy: 0.8761669793331707
Energy: 0.867126378107931
Energy: 0.8723105049593859
Energy: 1.2771429222885768
Energy: 0.8723105049593859
Energy: 1.063911878419501
Energy: 0.872617927234281
Energy: 1.2250831395022412
Energy: 0.872617927234281
Energy: 1.528200050467575
Energy: 0.8747762942451687
Energy: 1.1116326384874768
Energy: 0.8747762942451687
Energy: 0.8952398961093995
Energy: 0.9356380456840732
Energy: 1.2271976403894413
Energy: 0.9356380456840732
Energy: 0.8953061204101463
Energy: 0.8952257641306711
Energy: 1.8866165273312916
Energy: 0.8952257641306711
Energy: 1.085144740002321
Energy: 0.8634407545239592
Energy: 1.2538135520040492
Energy: 0.8634407545215131
Energy: 0.925078144823843
Energy: 0.8633497733585573
Energy: 1.3622052532815736
Energy: 0.8633497733597804
Energy: 0.9106763152676293
Energy: 0.8728250914433706
Energy: 1.4104674690492665
Energy: 0.8728250914433706
Energy: 0.9712916872109613
Energy: 0.8727191643032908
Energy: 1.4103154910177143
Energy: 0.8727191643045138
Energy: 0.9248584070596717
Energy: 0.8633732755349576
Energy: 1.3644388783940837
Energy: 0.8633732755337346
Energy: 1.0903635786762884
Energy: 1.2238933753875265
Energy: 1.254915246924581
Energy: 1.2238933753887498
Energy: 0.8842915747101702
Energy: 0.8952289531426816
Energy: 1.9416373005711338
Energy: 0.8952289531426816
Energy: 0.8951381241524187
Energy: 0.9354044559109156
Energy: 1.0549959446563055
Energy: 0.9354044559121386
Energy: 1.5281067677429183
Energy: 0.8747598351116085
Energy: 1.1112949393706357
Energy: 0.8747598351128315
Energy: 1.0639224205603985
Energy: 0.8656765288677113
Energy: 1.225124771932079
Energy: 0.8656765288689343
Energy: 1.126559035361619
Energy: 0.8724998418301366
Energy: 1.0730495574414716
Energy: 0.8724998418301366
Energy: 1.2453306870148515
Energy: 0.8748809204848559
Energy: 0.8747391779981794
Energy: 0.8748809204848559
Energy: 1.4280386173141757
Energy: 0.8749036342669982
Energy: 0.8749103356467347
Energy: 0.8749036342669982
Energy: 1.3358939094037168
Energy: 0.8656913862308423
Energy: 1.303308331232641
Energy: 0.8656913862308423
Energy: 1.2556406065794428
Energy: 0.8661501572678698
Energy: 0.9101753638105633
Energy: 0.8661501572678698
Energy: 1.64253827971043
Energy: 0.9274395048869101
Energy: 0.8979067630678946
Energy: 0.9274395048856873
Energy: 1.4045820556303925
Energy: 0.8639594685747525
Energy: 0.9920204582704102
Energy: 0.8639594685735295
Energy: 1.3620300010649922
Energy: 0.8654032038958953
Energy: 0.9275212057815692
Energy: 0.8654032038958953
Energy: 1.407000591855269
Energy: 0.8636783233170096
Energy: 1.0019224669949094
Energy: 0.8636783233170096
Energy: 1.4270041880728845
Energy: 0.8932070694161427
Energy: 0.8979624496041037
Energy: 0.8932070694161427
Energy: 1.300649308640031
Energy: 0.865806981148953
Energy: 0.9900550670445963
Energy: 0.865806981148953

minimum gb energy = 0.8633497733585573 eV
minimum distance =  2.33803611261051 Angstroms
sigma value = 1


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

Energy: 1.4848893711105389
Energy: 0.903539999761963
Energy: 0.9695233811747245
Energy: 0.903539999761963
Energy: 1.2801976243717097
Energy: 0.9585836244206322
Energy: 1.1559323200854752
Energy: 0.9585836244206322
Energy: 1.3187670228756043
Energy: 0.9415964419682035
Energy: 0.9417408304397943
Energy: 0.9415964419682035
Energy: 0.8808416030536236
Energy: 0.9190275100770057
Energy: 1.155307505834092
Energy: 0.9190275100770057
Energy: 0.8808694084919132
Energy: 0.9187740767812519
Energy: 1.4881755734195838
Energy: 0.9187740767812519
Energy: 1.3188462259005855
Energy: 0.9185118564331506
Energy: 0.9185060398276549
Energy: 0.9185118564331506
Energy: 1.0029253006106138
Energy: 0.9587624049948107
Energy: 0.9185163274360348
Energy: 0.9587624049948107
Energy: 0.9185089605868203
Energy: 0.9184846392667784
Energy: 1.458717876795478
Energy: 0.9184846392667784
Energy: 1.0028963666018902
Energy: 0.958230973501987
Energy: 1.3214054366796
Energy: 0.958230973501987
Energy: 1.9185130465159508
Energy: 0.881024235407984
Energy: 0.8809096352664971
Energy: 0.881024235407984
Energy: 1.0042581896287615
Energy: 0.9991193436789175
Energy: 1.3222998013974063
Energy: 0.9991193436789175
Energy: 1.004204182611425
Energy: 0.9185311130801652
Energy: 1.7836331992063288
Energy: 0.9185311130815597
Energy: 1.026019335147757
Energy: 0.8811021315934603
Energy: 1.3763178420336803
Energy: 0.8811021315934603
Energy: 1.026019335147757
Energy: 0.8809927120853623
Energy: 1.3763099068132867
Energy: 0.8809927120853623
Energy: 1.004197772363706
Energy: 0.9185254859610228
Energy: 1.783694108148473
Energy: 0.9185254859610228
Energy: 1.0042991803684849
Energy: 0.9979487320724879
Energy: 1.3223302642703243
Energy: 0.9979487320724879
Energy: 1.9185130465159508
Energy: 0.8810418733057521
Energy: 0.8809073142795042
Energy: 0.8810418733057521
Energy: 0.9421271565158512
Energy: 0.9581747873368099
Energy: 1.3214498186502612
Energy: 0.9581747873368099
Energy: 0.9185103436506853
Energy: 0.9184835996461187
Energy: 1.458717876795478
Energy: 0.9184835996447243
Energy: 1.0028936438270757
Energy: 0.9588366994361337
Energy: 0.9185181289102646
Energy: 0.9588366994361337
Energy: 1.3188851883592774
Energy: 0.9185137351519828
Energy: 0.918503013925464
Energy: 0.9185137351519828
Energy: 0.8808558186038278
Energy: 0.9187539256197693
Energy: 1.4881755734181894
Energy: 0.9187539256197693
Energy: 0.8808401738478698
Energy: 0.9190021216100335
Energy: 1.1553075058354865
Energy: 0.919002121608639
Energy: 1.3187254046422818
Energy: 0.941543020082574
Energy: 0.9416699434643979
Energy: 0.941543020082574
Energy: 1.2801969013258674
Energy: 0.9584733236001841
Energy: 1.1559323200854752
Energy: 0.9584733235987896
Energy: 1.4848893711105389
Energy: 0.9035399997605685
Energy: 0.9695233817559455
Energy: 0.903539999761963
Energy: 1.2801976243717097
Energy: 0.9585836244192377
Energy: 1.1559323200854752
Energy: 0.9585836244206322
Energy: 1.3187670228756043
Energy: 0.9415964419682035
Energy: 0.9417408304397943
Energy: 0.9415964419682035
Energy: 0.8808416030536236
Energy: 0.9190275100770057
Energy: 1.155307505834092
Energy: 0.9190275100770057

minimum gb energy = 0.8808401738478698 eV
minimum distance =  2.32520535638883 Angstroms
sigma value = 25


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

Energy: 1.2848570259411707
Energy: 0.9698741125172534
Energy: 1.015743265087524
Energy: 0.9698741125156323
Energy: 1.3932489196753646
Energy: 0.947414467057873
Energy: 1.2155457904391789
Energy: 0.9474144670562521
Energy: 1.4552696072361118
Energy: 1.0072280000245373
Energy: 1.008493921271476
Energy: 1.0072280000245373
Energy: 1.2078342025823008
Energy: 0.9454932424182914
Energy: 1.1262951399197692
Energy: 0.9454932424182914
Energy: 1.206984836645457
Energy: 0.9456497341125634
Energy: 1.2255305233282878
Energy: 0.9456497341125634
Energy: 1.4328539022103182
Energy: 0.9474248540264304
Energy: 0.9472950229344943
Energy: 0.9474248540248095
Energy: 0.984831846852759
Energy: 0.9729688781066065
Energy: 0.9472616888615397
Energy: 0.9729688781066065
Energy: 0.9560774724335016
Energy: 0.9845961401629165
Energy: 1.7993226638666686
Energy: 0.9845961401629165
Energy: 1.0782238464969742
Energy: 1.037025295642895
Energy: 1.191054943316106
Energy: 1.037025295641274
Energy: 1.0835036670118678
Energy: 0.9333202136464128
Energy: 1.2604014569687203
Energy: 0.9333202136464128
Energy: 1.083755828382254
Energy: 1.0361819355773312
Energy: 1.4119007712041354
Energy: 1.036181935578952
Energy: 1.047277499805617
Energy: 0.9845117786650561
Energy: 1.4078302296535832
Energy: 0.9845117786650561
Energy: 1.0487088619911695
Energy: 0.9333303922651526
Energy: 1.2589169123670794
Energy: 0.9333303922651526
Energy: 1.0779657246648313
Energy: 1.0368910184859117
Energy: 1.1908771965454235
Energy: 1.0368910184859117
Energy: 0.9846650509886762
Energy: 0.9846932579782562
Energy: 1.799630656920523
Energy: 0.9846932579798774
Energy: 0.9847680310485897
Energy: 0.9454897187279127
Energy: 0.9473114288336828
Energy: 0.9454897187279127
Energy: 1.762982356340992
Energy: 0.9473615749787143
Energy: 0.9471689433146381
Energy: 0.9473615749787143
Energy: 1.2066694010039172
Energy: 0.9456552623540897
Energy: 1.2271786010051053
Energy: 0.9456552623540897
Energy: 1.1052275497076776
Energy: 0.9455023565878228
Energy: 1.1263217153658576
Energy: 0.9455023565894439
Energy: 1.1859355555205193
Energy: 0.9470776173174001
Energy: 0.9935878060068488
Energy: 0.9470776173174001
Energy: 1.3930191814740627
Energy: 0.947620407590239
Energy: 1.0072598921590108
Energy: 0.947620407590239
Energy: 1.256617393372345
Energy: 0.9356277702890039
Energy: 1.0492067752380612
Energy: 0.9356277702890039
Energy: 1.3948447189062514
Energy: 1.0242949883731032
Energy: 1.126864588824711
Energy: 1.0242949883731032
Energy: 1.5999923406372463
Energy: 1.0071583228394103
Energy: 1.0076156161619698
Energy: 1.0071583228394103
Energy: 1.2072212445972552
Energy: 0.9457352677310599
Energy: 0.9844730591509848
Energy: 0.9457352677310599

minimum gb energy = 0.9333202136464128 eV
minimum distance =  2.33717705804747 Angstroms
sigma value = 9


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

Energy: 1.1687605709705264
Energy: 1.1660965605207945
Energy: 1.0745649552958947
Energy: 1.166096560521168
Energy: 1.1546077074225871
Energy: 1.040280370124489
Energy: 0.9959952617926986
Energy: 1.0402803701246865
Energy: 1.2989483046938202
Energy: 1.0286334703527016
Energy: 1.0286939180232724
Energy: 1.0286334703527016
Energy: 1.2188172846612315
Energy: 0.9975857757162259
Energy: 0.9955812868582887
Energy: 0.9975857757162259
Energy: 1.191580759241194
Energy: 0.9976044428560666
Energy: 1.197666730120724
Energy: 0.9976044428558689
Energy: 1.7051894439878856
Energy: 0.9977126942444696
Energy: 1.2189907137434117
Energy: 0.9977126942446674
Energy: 1.028845357474557
Energy: 1.0283891272566936
Energy: 1.1898147421422165
Energy: 1.028389127256298
Energy: 1.1161274017949576
Energy: 1.1159364401973686
Energy: 1.5550411286666692
Energy: 1.1159364401975664
Energy: 1.3407436654016778
Energy: 1.0878193945586823
Energy: 0.9227068611941327
Energy: 1.0878193945582866
Energy: 1.244268086979846
Energy: 0.9227184236314219
Energy: 0.9226378619507354
Energy: 0.9227184236310484
Energy: 0.998546347424583
Energy: 0.9838096656327379
Energy: 1.558273305442166
Energy: 0.9838096656333092
Energy: 1.1304234559030528
Energy: 0.9227305604744295
Energy: 1.2989073690896402
Energy: 0.9227305604742537
Energy: 1.340416415404903
Energy: 1.215440246954377
Energy: 1.2236563767353963
Energy: 1.2154402469549703
Energy: 1.2817548607730096
Energy: 1.0255798543171235
Energy: 1.1892077956451317
Energy: 1.0255798543167278
Energy: 1.2237007788879564
Energy: 1.2155180472083942
Energy: 1.4698286624554746
Energy: 1.2155180472089875
Energy: 1.1914305972479753
Energy: 0.9226418575651547
Energy: 1.0289738483788642
Energy: 0.9226418575653524
Energy: 1.56909785186039
Energy: 0.9978301430170167
Energy: 0.99794828889028
Energy: 0.9978301430168189
Energy: 1.1674498987044803
Energy: 1.1649721877260213
Energy: 1.2093941195785176
Energy: 1.1649721877256258
Energy: 1.154467494050323
Energy: 0.9977520639706912
Energy: 1.3572708633295498
Energy: 0.9977520639705154
Energy: 1.5688494568942715
Energy: 1.0286232025109847
Energy: 1.028611041136308
Energy: 1.028623202511556
Energy: 1.1895467239568063
Energy: 0.9977487261634945
Energy: 0.9979220770748546
Energy: 0.9977487261640878

minimum gb energy = 0.9226378619507354 eV
minimum distance =  2.30734419229361 Angstroms
sigma value = 25


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

Energy: 1.0513341329272743
Energy: 1.701201423600932
Energy: 1.2482544910919402
Energy: 1.701201423600932
Energy: 1.4864974050838604
Energy: 1.1528345637481057
Energy: 1.1384413000620461
Energy: 1.1528345637483504
Energy: 1.3734796332248884
Energy: 1.0942895607489764
Energy: 1.094640185506482
Energy: 1.0942895607489764
Energy: 1.0410551292866248
Energy: 1.1169731214052236
Energy: 1.0423417930579648
Energy: 1.1169731214057128
Energy: 1.2587471736168183
Energy: 0.9842701145159696
Energy: 1.4630819396130732
Energy: 0.984270114515263
Energy: 1.6328172386249802
Energy: 1.0555312586337458
Energy: 1.0555420770184076
Energy: 1.055531258633501
Energy: 1.2879605112140777
Energy: 1.1171924263999946
Energy: 1.0552463134317793
Energy: 1.117192426399288
Energy: 1.2198518114347638
Energy: 1.1627702393033252
Energy: 1.5555678181630532
Energy: 1.1627702393030805
Energy: 1.2447814083119926
Energy: 1.055225196720268
Energy: 1.055495550597852
Energy: 1.055225196720757
Energy: 1.3062896278338276
Energy: 1.0552989330625488
Energy: 1.0556473936671977
Energy: 1.0552989330620597
Energy: 1.1168716797963332
Energy: 1.1170180155142506
Energy: 1.4262610409112801
Energy: 1.1170180155142506
Energy: 1.1167812634193266
Energy: 1.0550910900110566
Energy: 1.0939656489014935
Energy: 1.0550910900103503
Energy: 1.3745036592411681
Energy: 1.0943226336627307
Energy: 1.0949046647622513
Energy: 1.0943226336629752
Energy: 1.507607418602555
Energy: 1.1101340853080714
Energy: 1.4441700570345635
Energy: 1.1101340853076094
Energy: 1.2795051947511737
Energy: 0.9835695455582161
Energy: 1.440204036686993
Energy: 0.9835695455579986
Energy: 1.4861281905671975
Energy: 1.0463643209148508
Energy: 1.0941698959671802
Energy: 1.0463643209148508
Energy: 1.117089456422477
Energy: 1.0549856198491279
Energy: 1.0957773006418048
Energy: 1.0549856198488832

minimum gb energy = 0.9835695455579986 eV
minimum distance =  2.29732381599035 Angstroms
sigma value = 17


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

Energy: 1.5104202237474447
Energy: 1.4867042145789988
Energy: 1.3338813890574146
Energy: 1.4867042145789988
Energy: 1.4038134454867515
Energy: 1.3265646994559603
Energy: 1.2422789578143978
Energy: 1.3265646994559603
Energy: 1.3419561787945369
Energy: 1.1573858835530997
Energy: 1.1457461748102928
Energy: 1.1573858835530997
Energy: 1.1422917271376702
Energy: 1.1410805308859724
Energy: 1.1899469659722048
Energy: 1.1410805308859724
Energy: 1.1756188374973535
Energy: 1.1674093835289858
Energy: 1.3542842291080754
Energy: 1.1674093835289858
Energy: 1.422209464769756
Energy: 1.07348941494308
Energy: 1.121887893548328
Energy: 1.0734894149417256
Energy: 1.3044691347830224
Energy: 1.1410705656203708
Energy: 1.3492963228230173
Energy: 1.1410705656203708
Energy: 1.178842726641046
Energy: 1.119937794058468
Energy: 1.4318017774957843
Energy: 1.119937794058468
Energy: 1.161773189584638
Energy: 1.1519658323375863
Energy: 1.1005094146273562
Energy: 1.1519658323362318
Energy: 1.4509477058852753
Energy: 1.075612421507505
Energy: 1.2352252779242803
Energy: 1.075612421507505
Energy: 1.128025886385149
Energy: 1.1279517040742633
Energy: 1.4433489209812358
Energy: 1.1279517040756175
Energy: 1.1280668000026555
Energy: 1.1522920695909125
Energy: 1.2429776597654933
Energy: 1.1522920695922672
Energy: 1.3839983051371014
Energy: 1.178215982937621
Energy: 1.2300608644083086
Energy: 1.178215982937621
Energy: 1.1279487925467895
Energy: 1.1279089656647232
Energy: 1.2418588214256836
Energy: 1.1279089656660775
Energy: 1.1281138932425039
Energy: 1.0963339186229455
Energy: 1.4391601441122925
Energy: 1.0963339186243
Energy: 1.4556403048113375
Energy: 1.1520378593696765
Energy: 1.0994221318083504
Energy: 1.1520378593696765
Energy: 1.1786068265571543
Energy: 1.096307797970831
Energy: 1.1520807016590169
Energy: 1.0963077979694769
Energy: 1.1589929077337202
Energy: 1.1927324044798682
Energy: 1.350592335709445
Energy: 1.1927324044798682
Energy: 1.304327634835509
Energy: 1.0740056482342641
Energy: 1.3936566598385325
Energy: 1.0740056482342641
Energy: 1.532476569640663
Energy: 1.0735542011416146
Energy: 1.3964957043297022
Energy: 1.0735542011416146
Energy: 1.1199285104535588
Energy: 1.1929611966812095
Energy: 1.4049748601339211
Energy: 1.1929611966812095
Energy: 1.1200326661004687
Energy: 1.2062744406550303
Energy: 1.1576271736547958
Energy: 1.206274440653676
Energy: 1.3708398818823102
Energy: 1.1572844828930764
Energy: 1.1346581740562474
Energy: 1.1572844828930764
Energy: 1.384877433706644
Energy: 1.1240137273238555
Energy: 1.4505707124934553
Energy: 1.1240137273238555
Energy: 1.3821950091589699
Energy: 1.1242024846140688
Energy: 1.4501826006936096
Energy: 1.1242024846140688
Energy: 1.404003120979918
Energy: 1.1574466170016398
Energy: 1.157426862917081
Energy: 1.1574466170016398
Energy: 1.1200043774643293
Energy: 1.1525035697075092
Energy: 1.15800483989541
Energy: 1.1525035697075092
Energy: 1.120379551213792
Energy: 1.1198129598992363
Energy: 1.4249044235412227
Energy: 1.1198129598992363
Energy: 1.385581608441515
Energy: 1.0749904468445792
Energy: 1.3934249651056891
Energy: 1.0749904468445792
Energy: 1.3042160901578006
Energy: 1.07345675969737
Energy: 1.1202282472282328
Energy: 1.0734567596960158

minimum gb energy = 1.0734567596960158 eV
minimum distance =  2.28953148900647 Angstroms
sigma value = 53


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

Energy: 1.1406071843746126
Energy: 1.1408458877164516
Energy: 1.4023237845198218
Energy: 1.1408458877167704
Energy: 1.2530667660297503
Energy: 1.300600726738537
Energy: 1.253161753801458
Energy: 1.300600726738537
Energy: 1.6393148679965819
Energy: 1.291848839295532
Energy: 1.293587380626345
Energy: 1.291848839295532
Energy: 1.2935712711398983
Energy: 1.291880908605128
Energy: 1.6392424489673045
Energy: 1.291880908605128
Energy: 1.2531623668729306
Energy: 1.3005777080988696
Energy: 1.253073503577523
Energy: 1.3005777080991887
Energy: 2.6553655396866183
Energy: 1.1408458877164516
Energy: 1.140607184375215
Energy: 1.1408458877164516
Energy: 1.2531617538017767
Energy: 1.300600726738537
Energy: 1.2530667660294315
Energy: 1.300600726738537
Energy: 1.2935873806260614
Energy: 1.2918488392958156
Energy: 1.639314867996263
Energy: 1.291848839295532
Energy: 1.6392424489657453
Energy: 1.2918809086054468
Energy: 1.2935712711402172
Energy: 1.2918809086054468
Energy: 1.2530735035778418
Energy: 1.3005777080991887
Energy: 1.2531623668722927
Energy: 1.3005777080991887
Energy: 1.1406071843746126
Energy: 1.1408458877164516
Energy: 1.402323783820746
Energy: 1.1408458877161327
Energy: 1.2530667660294315
Energy: 1.3006007267382182
Energy: 1.253161753801458
Energy: 1.300600726738537
Energy: 1.639314867996263
Energy: 1.291848839295532
Energy: 1.2935873806260614
Energy: 1.291848839295532

minimum gb energy = 1.1406071843746126 eV
minimum distance =  2.38486164179696 Angstroms
sigma value = 9


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

Energy: 1.3255464500193987
Energy: 1.2346462426966478
Energy: 1.4631055406444964
Energy: 1.2346462426954938
Energy: 1.5068173389709938
Energy: 1.4118948159814444
Energy: 1.402220446715853
Energy: 1.4118948159814444
Energy: 1.2836680892248211
Energy: 1.2019174086079727
Energy: 1.2021560982311363
Energy: 1.2019174086068187
Energy: 1.2172113804352682
Energy: 1.2315998787648321
Energy: 1.3608597448990627
Energy: 1.231599878763678
Energy: 1.2896803039960016
Energy: 1.1840132665769314
Energy: 1.514754978739342
Energy: 1.1840132665780854
Energy: 1.5459906173513362
Energy: 1.337834677716942
Energy: 1.3241596492187666
Energy: 1.337834677718096
Energy: 1.3599850962103717
Energy: 1.2804249115154316
Energy: 1.5362249723574533
Energy: 1.2804249115154316
Energy: 1.1846583042943002
Energy: 1.2295563339172983
Energy: 1.3028169042957523
Energy: 1.2295563339172983
Energy: 1.280929246514249
Energy: 1.2024964494333648
Energy: 1.2483779291566754
Energy: 1.2024964494322108
Energy: 1.334380083743702
Energy: 1.2024196143158494
Energy: 1.3298373524600533
Energy: 1.2024196143170034
Energy: 1.2022473998841015
Energy: 1.3486318717191856
Energy: 1.5356983243483104
Energy: 1.3486318717180317
Energy: 1.5594064168389203
Energy: 1.3243571985241105
Energy: 1.3152905751416688
Energy: 1.3243571985264184
Energy: 1.28335821293171
Energy: 1.208930817558539
Energy: 1.2119070261060565
Energy: 1.208930817558539
Energy: 1.288475282150114
Energy: 1.36660197194616
Energy: 1.4237286153684519
Energy: 1.36660197194616
Energy: 1.2929446463901726
Energy: 1.230129187693044
Energy: 1.209176160640207
Energy: 1.230129187693044
Energy: 1.5291053076264953
Energy: 1.2090342338215578
Energy: 1.2145582983238448
Energy: 1.2090342338215578
Energy: 1.3891802608355195
Energy: 1.2098624851586632
Energy: 1.571820513896532
Energy: 1.2098624851563553
Energy: 1.2043390777664902
Energy: 1.3487609513311505
Energy: 1.3264129678983223
Energy: 1.3487609513311505
Energy: 1.5541799232052353
Energy: 1.3162872302890714
Energy: 1.2639095005542333
Energy: 1.3162872302902253
Energy: 1.2295645321339344
Energy: 1.2095056772712478
Energy: 1.2446632937180615
Energy: 1.2095056772724018
Energy: 1.1836787241514186
Energy: 1.2297902437377624
Energy: 1.6806486355091712
Energy: 1.2297902437354542
Energy: 1.5186490091845621
Energy: 1.1845756046215536
Energy: 1.3215817835374204
Energy: 1.1845756046227078
Energy: 1.4122234286107156
Energy: 1.3596835943344627
Energy: 1.323025464852319
Energy: 1.3596835943367707
Energy: 1.292538210529173
Energy: 1.3397623923547615
Energy: 1.6567341160037845
Energy: 1.3397623923547615
Energy: 1.2160668526391007
Energy: 1.2300161225974555
Energy: 1.2018421364926992
Energy: 1.2300161225974555
Energy: 1.6158695216928227
Energy: 1.2622910488937118
Energy: 1.201995847710019
Energy: 1.262291048894866
Energy: 1.4145188609985189
Energy: 1.1776506278036059
Energy: 1.5515615367839293
Energy: 1.1776506278036059
Energy: 1.323822755267258
Energy: 1.1780213043057755
Energy: 1.5513877746673694
Energy: 1.1780213043057755
Energy: 1.6955344975381137
Energy: 1.2631855611279226
Energy: 1.247514575513152
Energy: 1.2631855611290768
Energy: 1.2159318598878948
Energy: 1.2311049776052971
Energy: 1.2019513206412618
Energy: 1.231104977606451
Energy: 1.2836234141651044
Energy: 1.2849290265828999
Energy: 1.7248315679305024
Energy: 1.284929026584054
Energy: 1.4125839892658525
Energy: 1.1849174833610632
Energy: 1.3259169308509406
Energy: 1.1849174833610632
Energy: 1.588750652346116
Energy: 1.1848717290568578
Energy: 1.321415369794924
Energy: 1.1848717290580117
Energy: 1.1837908369347856
Energy: 1.2298015076367286
Energy: 1.6808682725800665
Energy: 1.2298015076367286
Energy: 1.2296100409250292
Energy: 1.209553426414342
Energy: 1.2443791275689449
Energy: 1.209553426413188

minimum gb energy = 1.1776506278036059 eV
minimum distance =  2.23938593028028 Angstroms
sigma value = 73


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

Energy: 1.36969469444264
Energy: 1.3691007433324571
Energy: 1.4893647471616644
Energy: 1.3691007433320825
Energy: 1.4062210379975872
Energy: 1.2546704561183593
Energy: 1.3373263061321854
Energy: 1.2546704561178184
Energy: 1.3215831393760618
Energy: 1.27252588820152
Energy: 1.1809288835382792
Energy: 1.2725258882018944
Energy: 1.241101758529485
Energy: 1.2020353513506123
Energy: 1.3757896736447401
Energy: 1.2020353513506123
Energy: 1.4367696007262343
Energy: 1.201970311402874
Energy: 1.394209459488479
Energy: 1.2019703114039766
Energy: 1.6354792579471895
Energy: 1.3974822798610047
Energy: 1.175730569862915
Energy: 1.397482279861192
Energy: 1.2723836286355361
Energy: 1.3549241777262666
Energy: 1.492923518007681
Energy: 1.3549241777262666
Energy: 1.2025640611916253
Energy: 1.2018864874788162
Energy: 1.3443964887901696
Energy: 1.2018864874788162
Energy: 1.532264908091965
Energy: 1.2726374950691268
Energy: 1.3350620482794158
Energy: 1.2726374950687525
Energy: 1.2023665780658075
Energy: 1.2726253135747472
Energy: 1.3397005337560433
Energy: 1.27262531357456
Energy: 1.2022701442919126
Energy: 1.2020357259509333
Energy: 1.3459196625694076
Energy: 1.202035725950746
Energy: 1.556955251256559
Energy: 1.2024467717381768
Energy: 1.4297781022453762
Energy: 1.2024467717385305
Energy: 1.4292631184605586
Energy: 1.4035592215383959
Energy: 1.1758437880072103
Energy: 1.403559221538583
Energy: 1.2744174824410135
Energy: 1.3914158247144417
Energy: 1.6837585076125268
Energy: 1.3914158247142545
Energy: 1.2405751738166653
Energy: 1.2023415923660967
Energy: 1.2725124877563938
Energy: 1.2023415923660967
Energy: 1.6131129145345995
Energy: 1.2730263687263859
Energy: 1.1812009256291245
Energy: 1.273026368726573
Energy: 1.3546194377470788
Energy: 1.1772588455924564
Energy: 1.6413180693244507
Energy: 1.1772588455930182
Energy: 1.3550336177078572
Energy: 1.1758425259715009
Energy: 1.6405435347375665
Energy: 1.1758425259718543
Energy: 1.6440870989378427
Energy: 1.2730409059978975
Energy: 1.2728301393129267
Energy: 1.273040905998272
Energy: 1.2405597128562262
Energy: 1.2024028482297384
Energy: 1.181117169123406
Energy: 1.2024028482299256
Energy: 1.3218493363514143
Energy: 1.383033584576978
Energy: 1.6846011133008805
Energy: 1.383033584576978
Energy: 1.4293452736103138
Energy: 1.202223703388471
Energy: 1.1758660761562048
Energy: 1.2022237033888248

minimum gb energy = 1.175730569862915 eV
minimum distance =  2.23930501612532 Angstroms
sigma value = 7


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

Energy: 1.564900593684121
Energy: 1.4121878406962562
Energy: 1.4969417879321816
Energy: 1.4121878406962562
Energy: 1.4592606997942548
Energy: 1.2663034189392341
Energy: 1.352202716907655
Energy: 1.2663034189392341
Energy: 1.2775916860449594
Energy: 1.2379950690328265
Energy: 1.239025404085987
Energy: 1.2379950690328265
Energy: 1.28194687967621
Energy: 1.1768782303468486
Energy: 1.344850093078836
Energy: 1.1768782303468486
Energy: 1.3906493748125646
Energy: 1.2381225572294696
Energy: 1.1766029922356758
Energy: 1.2381225572294696
Energy: 1.8012189146227409
Energy: 1.1765198182481222
Energy: 1.1778406763069618
Energy: 1.1765198182468277
Energy: 1.2289951076202106
Energy: 1.3030858067464424
Energy: 1.5723881495301157
Energy: 1.3030858067451476
Energy: 1.1778651466317303
Energy: 1.1765732528479074
Energy: 1.3859742668219677
Energy: 1.1765732528479074
Energy: 1.6248886135206035
Energy: 1.2387391031524642
Energy: 1.3317765495277922
Energy: 1.2387391031511694
Energy: 1.2378081644369772
Energy: 1.176953141406204
Energy: 1.2823726537995261
Energy: 1.176953141406204
Energy: 1.237895191932748
Energy: 1.2385733707581363
Energy: 1.5200616834916103
Energy: 1.2385733707581363
Energy: 1.7249660774151414
Energy: 1.1770385181379526
Energy: 1.4229116871658825
Energy: 1.1770385181379526
Energy: 1.7207597172828781
Energy: 1.1768743847857606
Energy: 1.4233241996308805
Energy: 1.1768743847857606
Energy: 1.2386034521559317
Energy: 1.2393616904339362
Energy: 1.6736875494507826
Energy: 1.2393616904339362
Energy: 1.237781084019406
Energy: 1.1772271629962294
Energy: 1.2772605027068913
Energy: 1.1772271629962294
Energy: 1.6473392189133713
Energy: 1.3661045792904292
Energy: 1.2821021718197911
Energy: 1.3661045792904292
Energy: 1.1764629440886738
Energy: 1.177155592091666
Energy: 1.3858202413426342
Energy: 1.177155592091666
Energy: 1.1765001135199749
Energy: 1.23820532323949
Energy: 1.6024847915951064
Energy: 1.23820532323949
Energy: 1.8104667221217492
Energy: 1.1770501899992496
Energy: 1.1765987932466033
Energy: 1.1770501900005443
Energy: 1.3944297114585165
Energy: 1.238363022769557
Energy: 1.1766916121244089
Energy: 1.2383630227708518
Energy: 1.2776057537854804
Energy: 1.2821282976709223
Energy: 1.3993626513603983
Energy: 1.2821282976709223
Energy: 1.2775177978476082
Energy: 1.2380966025638729
Energy: 1.2414352167057288
Energy: 1.2380966025638729
Energy: 1.4584526756335912
Energy: 1.2827537424373214
Energy: 1.284162210650309
Energy: 1.2827537424373214
Energy: 1.4217867816916792
Energy: 1.1771148332551569
Energy: 1.7189964084321485
Energy: 1.1771148332551569
Energy: 1.4216960301315427
Energy: 1.176695630143123
Energy: 1.2793260727971936
Energy: 1.176695630143123
Energy: 1.5142329915208776
Energy: 1.2379679603220164
Energy: 1.2411623342306717
Energy: 1.237967960323311
Energy: 1.2786265672115094
Energy: 1.1768024321082153
Energy: 1.2383994745700386
Energy: 1.1768024321082153
Energy: 1.3941553534386946
Energy: 1.238121741775272
Energy: 1.6231587638915796
Energy: 1.238121741775272
Energy: 1.3862034284486888
Energy: 1.1767450548564056
Energy: 1.176681361299729
Energy: 1.1767450548564056
Energy: 1.5626528467778187
Energy: 1.3005234857836887
Energy: 1.5626423097816118
Energy: 1.3005234857836887
Energy: 1.1766874915871832
Energy: 1.1767514473030984
Energy: 1.3862034284499836
Energy: 1.1767514473030984

minimum gb energy = 1.1764629440886738 eV
minimum distance =  2.26442137521176 Angstroms
sigma value = 29


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

Energy: 1.0572347790907075
Energy: 1.1710157019461838
Energy: 1.5328404532022342
Energy: 1.1710157019457577
Energy: 1.486507979593682
Energy: 1.1556250052726473
Energy: 1.1690521837805448
Energy: 1.1556250052722212
Energy: 1.4838744696566142
Energy: 1.140292092106102
Energy: 1.141042540888724
Energy: 1.140292092106528
Energy: 1.5880536854439364
Energy: 1.1716743753673478
Energy: 1.140653557441991
Energy: 1.1716743753673478
Energy: 1.6315132748139254
Energy: 1.1405084185568128
Energy: 1.1405555732482187
Energy: 1.1405084185568128
Energy: 1.4823272555463554
Energy: 1.1411837878226931
Energy: 1.1404323043002524
Energy: 1.141183787823119
Energy: 1.2543387902494372
Energy: 1.1403365162273231
Energy: 1.758073222431185
Energy: 1.140336516226872
Energy: 1.0557865900167633
Energy: 1.1412209534706435
Energy: 1.7535688073359177
Energy: 1.1412209534706435
Energy: 1.5387465781642506
Energy: 1.1701320261659223
Energy: 1.1704712625305713
Energy: 1.1701320261659223

minimum gb energy = 1.0557865900167633 eV
minimum distance =  2.33186687487425 Angstroms
sigma value = 5


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

Energy: 1.2715511786626816
Energy: 1.1636240635225692
Energy: 1.6844597126807983
Energy: 1.1636240635237922
Energy: 1.4640566394244867
Energy: 1.1636975448304392
Energy: 1.2561848611802466
Energy: 1.1636975448304392
Energy: 1.271953738306552
Energy: 1.283367115312741
Energy: 1.2046127217613012
Energy: 1.283367115313964
Energy: 1.271717293819195
Energy: 1.232024874115179
Energy: 1.304782223741351
Energy: 1.232024874113956
Energy: 1.1875354055185239
Energy: 1.2808108470576598
Energy: 1.1951165926153062
Energy: 1.2808108470576598
Energy: 1.3870578615462696
Energy: 1.3114236182600387
Energy: 1.1927880707600729
Energy: 1.3114236182624848
Energy: 1.2615426118371755
Energy: 1.2605635626095062
Energy: 1.3911538879396876
Energy: 1.2605635626095062
Energy: 1.263994502327307
Energy: 1.2574081458314872
Energy: 1.5172105736600767
Energy: 1.2574081458314872
Energy: 1.6080530293242958
Energy: 1.2166802581627425
Energy: 1.2466021732388286
Energy: 1.2166802581627425
Energy: 1.4698269143968
Energy: 1.2177264822809604
Energy: 1.249408100084186
Energy: 1.2177264822797371
Energy: 1.2087913086511404
Energy: 1.2755315561435188
Energy: 1.2811499307256027
Energy: 1.2755315561435188
Energy: 1.2102450046595723
Energy: 1.2749174958132528
Energy: 1.2241621518659218
Energy: 1.2749174958144758
Energy: 1.393138160612942
Energy: 1.2851192871169295
Energy: 1.22210340851347
Energy: 1.2851192871169295
Energy: 1.1722334317264298
Energy: 1.2778735168204316
Energy: 1.2303241660197786
Energy: 1.2778735168204316
Energy: 1.206899258436018
Energy: 1.4048161354795405
Energy: 1.365953827249118
Energy: 1.4048161354795405
Energy: 1.5871777116930976
Energy: 1.17296829496758
Energy: 1.2457748601570575
Energy: 1.17296829496758
Energy: 1.3581567760281448
Energy: 1.1836162834978199
Energy: 1.3685748633688593
Energy: 1.1836162834978199
Energy: 1.2279210729527017
Energy: 1.254037955793687
Energy: 1.5196190945651262
Energy: 1.254037955793687
Energy: 1.2721592946319282
Energy: 1.195971048412376
Energy: 1.2760853958481468
Energy: 1.1959710484111532
Energy: 1.229256828526825
Energy: 1.2816922535430246
Energy: 1.1990797108501317
Energy: 1.2816922535442479
Energy: 1.2299844147646255
Energy: 1.2700935160553253
Energy: 1.2479461424518383
Energy: 1.2700935160553253
Energy: 1.3430548719982347
Energy: 1.278068605263553
Energy: 1.1853641732094176
Energy: 1.278068605263553
Energy: 1.2719470100133554
Energy: 1.2764499760619052
Energy: 1.187986704526648
Energy: 1.2764499760606824
Energy: 1.3732908242092188
Energy: 1.207207239171524
Energy: 1.5919472053861832
Energy: 1.207207239171524
Energy: 1.369756917271842
Energy: 1.2082240840200742
Energy: 1.6716882582990524
Energy: 1.2082240840200742
Energy: 1.3614698385600303
Energy: 1.2777272061993863
Energy: 1.185207293647808
Energy: 1.2777272061981633
Energy: 1.307015777891233
Energy: 1.2764510354642205
Energy: 1.1877230599863102
Energy: 1.2764510354642205
Energy: 1.275770626973465
Energy: 1.2303749939778534
Energy: 1.4825550065275148
Energy: 1.2303749939766306
Energy: 1.230618259863666
Energy: 1.2754624705211999
Energy: 1.1971544803607073
Energy: 1.2754624705211999
Energy: 1.3867714027375062
Energy: 1.390682469712883
Energy: 1.2543107962142048
Energy: 1.3906824697141063
Energy: 1.215909820707121
Energy: 1.254287485657775
Energy: 1.3994947197537897
Energy: 1.2542874856565522
Energy: 1.2716321095192238
Energy: 1.178779180684384
Energy: 1.4856860363059743
Energy: 1.1787791806831611
Energy: 1.7034745147497032
Energy: 1.1732003609098745
Energy: 1.245188962422637
Energy: 1.1732003609086512

minimum gb energy = 1.1636240635225692 eV
minimum distance =  2.26624852269636 Angstroms
sigma value = 1


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

Energy: 1.2562842457453691
Energy: 1.2274902523618245
Energy: 1.655702380503155
Energy: 1.2274902523618245
Energy: 1.2433816123848078
Energy: 1.2230232646984809
Energy: 1.2812024179995611
Energy: 1.2230232646984809
Energy: 1.3629262834677223
Energy: 1.2775519020620265
Energy: 1.3439535804895693
Energy: 1.2775519020620265
Energy: 1.2810393944892873
Energy: 1.2679563066684183
Energy: 1.299511827058721
Energy: 1.2679563066684183
Energy: 1.1864795859435548
Energy: 1.2060526154673124
Energy: 1.186776064204561
Energy: 1.2060526154673124
Energy: 1.1847146272904265
Energy: 1.1857107237046887
Energy: 1.1848608026898033
Energy: 1.1857107237046887
Energy: 1.289695960358728
Energy: 1.2664520065161056
Energy: 1.4281333318329863
Energy: 1.2664520065161056
Energy: 1.2898032377666528
Energy: 1.2657774139736062
Energy: 1.458485012011325
Energy: 1.2657774139736062
Energy: 1.40088039684032
Energy: 1.2062829644912556
Energy: 1.1176125119230014
Energy: 1.2062829644895647
Energy: 1.40088039684032
Energy: 1.206354464296795
Energy: 1.1183677433141839
Energy: 1.206354464296795
Energy: 1.2898955551776021
Energy: 1.266231941244419
Energy: 1.458485012011325
Energy: 1.266231941244419
Energy: 1.2896515554035193
Energy: 1.2656733127240754
Energy: 1.4281333318329863
Energy: 1.2656733127240754
Energy: 1.1848245125858456
Energy: 1.1855053129553286
Energy: 1.1854305123398279
Energy: 1.1855053129536377
Energy: 1.1862647651723832
Energy: 1.205231923149987
Energy: 1.186659114816919
Energy: 1.205231923149987
Energy: 1.206805601816457
Energy: 1.2670335777437267
Energy: 1.2912287395296536
Energy: 1.2670335777437267
Energy: 1.3629262834660312
Energy: 1.2695945351638471
Energy: 1.3435198862965054
Energy: 1.2695945351638471
Energy: 1.2304081088857708
Energy: 1.1493625559255864
Energy: 1.2367435239353972
Energy: 1.1493625559238956
Energy: 1.2562842457453691
Energy: 1.2274902523601334
Energy: 1.6557023806992326
Energy: 1.2274902523601334
Energy: 1.2433816123848078
Energy: 1.2230232646984809
Energy: 1.2812024179995611
Energy: 1.2230232646984809
Energy: 1.3629262834677223
Energy: 1.2775519020620265
Energy: 1.3439535804895693
Energy: 1.2775519020620265
Energy: 1.2810393944892873
Energy: 1.2679563066684183
Energy: 1.299511827058721
Energy: 1.2679563066684183
Energy: 1.1864795859435548
Energy: 1.2060526154673124
Energy: 1.186776064204561
Energy: 1.2060526154673124
Energy: 1.1847146272904265
Energy: 1.1857107237046887
Energy: 1.1848608026898033
Energy: 1.1857107237046887
Energy: 1.2896959603570368
Energy: 1.2664520065161056
Energy: 1.4281333318329863
Energy: 1.2664520065161056

minimum gb energy = 1.1176125119230014 eV
minimum distance =  2.2269539549809 Angstroms
sigma value = 17


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

Energy: 1.3358764128693614
Energy: 1.224530272516519
Energy: 1.8271140391592415
Energy: 1.2245302725175644
Energy: 1.3330978837664034
Energy: 1.1615660911484753
Energy: 1.2867541364059756
Energy: 1.1615660911495205
Energy: 1.2510840616659267
Energy: 1.2550109795039863
Energy: 1.170398436436016
Energy: 1.2550109795039863
Energy: 1.2569595066276795
Energy: 1.2018499434292174
Energy: 1.2961971982321097
Energy: 1.2018499434302625
Energy: 1.2196629483649364
Energy: 1.2473672395924686
Energy: 1.2018260478084672
Energy: 1.2473672395914235
Energy: 1.2716534627393052
Energy: 1.2674803670886983
Energy: 1.201769355797787
Energy: 1.2674803670886983
Energy: 1.1628299076948636
Energy: 1.2621222972435917
Energy: 1.2153783084954937
Energy: 1.2621222972435917
Energy: 1.1611609190060828
Energy: 1.2622189244659814
Energy: 1.2363651631988
Energy: 1.2622189244649364
Energy: 1.4286554443076467
Energy: 1.2201402436988946
Energy: 1.300879554079147
Energy: 1.2201402436978497
Energy: 1.47014485687943
Energy: 1.2194666525511892
Energy: 1.3082564484240946
Energy: 1.2194666525501439
Energy: 1.2102162433972214
Energy: 1.2259315838448026
Energy: 1.3291090027624979
Energy: 1.225931583845848
Energy: 1.207949074402638
Energy: 1.2257868539942407
Energy: 1.277807986811322
Energy: 1.2257868539931953
Energy: 1.3128801513235793
Energy: 1.2672204492434946
Energy: 1.1824047865963376
Energy: 1.2672204492434946
Energy: 1.2053969646660099
Energy: 1.2477010012840817
Energy: 1.1815233239775074
Energy: 1.2477010012840817
Energy: 1.2018242371478896
Energy: 1.2907650568543194
Energy: 1.1809107931987426
Energy: 1.2907650568543194
Energy: 1.2044217402955357
Energy: 1.2620535340271881
Energy: 1.2002275059485397
Energy: 1.2620535340250978
Energy: 1.2974617689945074
Energy: 1.1751892298941222
Energy: 1.265574581852719
Energy: 1.1751892298941222
Energy: 1.204023068380589
Energy: 1.2498244013061393
Energy: 1.4748008428187784
Energy: 1.2498244013061393
Energy: 1.2493098973477397
Energy: 1.1963971545242862
Energy: 1.3173285202414664
Energy: 1.1963971545242862
Energy: 1.6022603981944121
Energy: 1.222772982280219
Energy: 1.200930547360252
Energy: 1.2227729822791737
Energy: 1.2847009105980984
Energy: 1.377762337308507
Energy: 1.3771778514837585
Energy: 1.3777623373095522
Energy: 1.224610036484928
Energy: 1.247558776009283
Energy: 1.2245595960349263
Energy: 1.2475587760103284
Energy: 1.2661348651357966
Energy: 1.4033297656242225
Energy: 1.2540276509172072
Energy: 1.4033297656231771
Energy: 1.1741658182695371
Energy: 1.2621167370144997
Energy: 1.1815241695540213
Energy: 1.2621167370124096
Energy: 1.174718328232738
Energy: 1.2946991930617375
Energy: 1.3556332106032511
Energy: 1.2946991930606921
Energy: 1.2516938565241498
Energy: 1.2480099574154324
Energy: 1.1547332635154404
Energy: 1.2480099574164778
Energy: 1.3345561610989922
Energy: 1.2480495020773221
Energy: 1.2172174407645473
Energy: 1.2480495020783673
Energy: 1.2949724963223486
Energy: 1.1892377701077028
Energy: 1.645174652769093
Energy: 1.1892377701066577
Energy: 1.3001573230534698
Energy: 1.1885960823543391
Energy: 1.4904530841558272
Energy: 1.188596082352249
Energy: 1.2512874390793052
Energy: 1.2479237483803767
Energy: 1.1545015962426353
Energy: 1.247923748381422
Energy: 1.2533830865230904
Energy: 1.2480028179426574
Energy: 1.2175466428100554
Energy: 1.2480028179447478
Energy: 1.173987092163227
Energy: 1.2896913217915236
Energy: 1.2012455186969357
Energy: 1.2896913217925687
Energy: 1.1751098974663694
Energy: 1.262488540316492
Energy: 1.1757255516190528
Energy: 1.262488540316492
Energy: 1.2417580825224983
Energy: 1.2650451313538238
Energy: 1.223428593974983
Energy: 1.2650451313548687
Energy: 1.1609300941025618
Energy: 1.2483561521051205
Energy: 1.2449855859769798
Energy: 1.248356152106166
Energy: 1.2774397903969505
Energy: 1.1578531509979604
Energy: 1.2870232745202164
Energy: 1.1578531509979604
Energy: 1.6535374363152726
Energy: 1.2181459331928144
Energy: 1.2009509830463376
Energy: 1.2181459331938593
Energy: 1.2991038071102299
Energy: 1.1959960690319786
Energy: 1.3355157782874572
Energy: 1.1959960690319786

minimum gb energy = 1.1545015962426353 eV
minimum distance =  2.2623906453503 Angstroms
sigma value = 89


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

Energy: 1.2477360197439442
Energy: 1.164800342237229
Energy: 1.5540320876873461
Energy: 1.1648003422375088
Energy: 1.1622741017759153
Energy: 1.205193772746042
Energy: 1.26917739352782
Energy: 1.2051937727466013
Energy: 1.3782085426172563
Energy: 1.1549684314807336
Energy: 1.0818100261995627
Energy: 1.154968431481293
Energy: 1.1491963439459865
Energy: 1.2205568333377113
Energy: 1.270632871549809
Energy: 1.2205568333382706
Energy: 1.168103521778163
Energy: 1.219509215373526
Energy: 1.1910096205834144
Energy: 1.2195092153729978
Energy: 1.141764304201403
Energy: 1.3995901123669434
Energy: 1.2492996474881906
Energy: 1.3995901123675027
Energy: 1.1446320472225822
Energy: 1.1550736005506377
Energy: 1.191022892775699
Energy: 1.1550736005503581
Energy: 1.1424584828512514
Energy: 1.2200064619437578
Energy: 1.4949281921174105
Energy: 1.2200064619437578
Energy: 1.3783784648194257
Energy: 1.2194081201422047
Energy: 1.059499177143037
Energy: 1.219408120142733
Energy: 1.2349076125980094
Energy: 1.2203170635713296
Energy: 1.0581625604810123
Energy: 1.2203170635718579
Energy: 1.1825978002547783
Energy: 1.1551947480840068
Energy: 1.496030551994755
Energy: 1.1551947480842868
Energy: 1.1816989382563008
Energy: 1.1560457576218954
Energy: 1.4994391077444449
Energy: 1.156045757622175
Energy: 1.3792584178486176
Energy: 1.2194566448365955
Energy: 1.0595575016235976
Energy: 1.2194566448365955
Energy: 1.3822872903695758
Energy: 1.220608876173136
Energy: 1.0580469379867161
Energy: 1.220608876173136
Energy: 1.143827748691004
Energy: 1.219968296348377
Energy: 1.2551676922458397
Energy: 1.219968296348377

minimum gb energy = 1.0580469379867161 eV
minimum distance =  2.2606563631404 Angstroms
sigma value = 13


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

Energy: 1.143852752375541
Energy: 1.1404833662890617
Energy: 1.5410676238330696
Energy: 1.1404833662890617
Energy: 1.2038813558417654
Energy: 1.1389651173554542
Energy: 1.0911154798337384
Energy: 1.138965117354308
Energy: 1.258370485123647
Energy: 1.1229120790296288
Energy: 1.1394381308046346
Energy: 1.1229120790296288
Energy: 1.13714550559083
Energy: 1.1706871904192704
Energy: 1.1670372956125543
Energy: 1.1706871904192704
Energy: 1.0775261386111765
Energy: 1.1546369846597047
Energy: 1.1642344259912727
Energy: 1.1546369846597047
Energy: 1.184293262187919
Energy: 1.1543488961434103
Energy: 1.1417427531724944
Energy: 1.1543488961434103
Energy: 1.1107935389636
Energy: 1.1234930403953778
Energy: 1.1212747137111072
Energy: 1.1234930403953778
Energy: 1.1131702388925488
Energy: 1.1777804566406127
Energy: 1.1088513233337536
Energy: 1.1777804566406127
Energy: 1.1579548988413417
Energy: 1.1546911690407557
Energy: 1.066988724381681
Energy: 1.1546911690407557
Energy: 1.2492082331207757
Energy: 1.15489670531816
Energy: 1.1563169810857563
Energy: 1.15489670531816
Energy: 1.1094101379792407
Energy: 1.1232678255910673
Energy: 1.251295343372654
Energy: 1.1232678255910673
Energy: 1.1097464480452626
Energy: 1.1233075091029565
Energy: 1.2108032198039254
Energy: 1.1233075091029565
Energy: 1.2107681292151478
Energy: 1.1342214996891464
Energy: 1.1139258790233568
Energy: 1.1342214996891464
Energy: 1.1869853618414863
Energy: 1.1367762018599508
Energy: 1.2352912809636811
Energy: 1.1367762018610972
Energy: 1.1094144015514522
Energy: 1.1234845654283745
Energy: 1.2506085615445268
Energy: 1.1234845654283745
Energy: 1.1096293901928276
Energy: 1.1234472790754575
Energy: 1.2588819035428156
Energy: 1.1234472790754575
Energy: 1.2114593650583954
Energy: 1.1547603457951905
Energy: 1.06694397153574
Energy: 1.1547603457951905
Energy: 1.1642543669293715
Energy: 1.1554248972701657
Energy: 1.1566813202844972
Energy: 1.1554248972713121
Energy: 1.1103368127777724
Energy: 1.1236091387651044
Energy: 1.1138162471001247
Energy: 1.1236091387651044
Energy: 1.1138088066271425
Energy: 1.123577933249493
Energy: 1.1103375634634816
Energy: 1.123577933249493
Energy: 1.1568579057167745
Energy: 1.1554371564026675
Energy: 1.1644322244693048
Energy: 1.1554371564026675
Energy: 1.0668895787564139
Energy: 1.154753672019052
Energy: 1.2114593650572492
Energy: 1.154753672019052
Energy: 1.258881903545056
Energy: 1.1234443255094735
Energy: 1.109622983483992
Energy: 1.1234443255094735
Energy: 1.2506085615410882
Energy: 1.1234604497877223
Energy: 1.1094231124869156
Energy: 1.1234604497877223
Energy: 1.2353108110410302
Energy: 1.1367810832132548
Energy: 1.1870290318334356
Energy: 1.136781083214401
Energy: 1.1139083573665356
Energy: 1.134216931351439
Energy: 1.2107681292140016
Energy: 1.134216931351439
Energy: 1.2106867049939114
Energy: 1.1233136871999105
Energy: 1.109739026295242
Energy: 1.1233136871999105
Energy: 1.251295343372654
Energy: 1.1232574199678864
Energy: 1.1094132438087927
Energy: 1.1232574199690326
Energy: 1.1563109370597908
Energy: 1.154903094909092
Energy: 1.2493145047300807
Energy: 1.1549030949102381
Energy: 1.0669855028146509
Energy: 1.1546790918088312
Energy: 1.1579525551946017
Energy: 1.1546790918099772
Energy: 1.1088519299820294
Energy: 1.1780082471784865
Energy: 1.1131778673142365
Energy: 1.1780082471773403
Energy: 1.121281824542104
Energy: 1.1234859638425987
Energy: 1.1108124501073433
Energy: 1.1234859638425987
Energy: 1.1414210296361675
Energy: 1.1543458062001086
Energy: 1.1842134945666516
Energy: 1.1543458062001086
Energy: 1.1642320619133029
Energy: 1.1546351706805318
Energy: 1.077533078187483
Energy: 1.154635170681678
Energy: 1.167050317297885
Energy: 1.171031061976338
Energy: 1.1374846189573706
Energy: 1.171031061976338

minimum gb energy = 1.0668895787564139 eV
minimum distance =  2.27844733628759 Angstroms
sigma value = 37


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

Energy: 1.1389321507568706
Energy: 1.0724718534717366
Energy: 1.4451664031106901
Energy: 1.0724718534713555
Energy: 1.157587894384448
Energy: 1.0958472768649314
Energy: 1.089096177577262
Energy: 1.0958472768651333
Energy: 1.2580306681577993
Energy: 1.0532950061062771
Energy: 1.0996307811996286
Energy: 1.053295006105874
Energy: 1.1530924119782469
Energy: 1.0888826498806747
Energy: 1.0895320030140963
Energy: 1.0888826498802715
Energy: 1.0696243719162224
Energy: 1.0493931523630715
Energy: 1.224295773514465
Energy: 1.049393152362287
Energy: 1.141588430307486
Energy: 1.0969069407753458
Energy: 1.1043873287827695
Energy: 1.0969069407753458
Energy: 1.0962835401925566
Energy: 1.0536593075657397
Energy: 1.0796847194325165
Energy: 1.053659307565538
Energy: 1.136732062723574
Energy: 1.2070710127673001
Energy: 1.1347768390645248
Energy: 1.2070710127673001
Energy: 1.1081406468253976
Energy: 1.0493601201541451
Energy: 1.098098416455426
Energy: 1.0493601201537643
Energy: 1.141371508028167
Energy: 1.0950129683979724
Energy: 1.0986835840244893
Energy: 1.0950129683979724
Energy: 1.036317978056137
Energy: 1.052662338573777
Energy: 1.222145130745182
Energy: 1.0526623385735754
Energy: 1.0419751985426386
Energy: 1.0971570376196964
Energy: 1.1661468632969196
Energy: 1.0971570376198982
Energy: 1.2579752745752049
Energy: 1.0498153908695476
Energy: 1.0844221365166917
Energy: 1.0498153908701304
Energy: 1.0530628477113317
Energy: 1.0518588786624214
Energy: 1.0841010731936898
Energy: 1.0518588786622196
Energy: 1.0772751072450575
Energy: 1.0688453063465078
Energy: 1.2218592258737815
Energy: 1.0688453063463061
Energy: 1.0758509459921277
Energy: 1.076486431431375
Energy: 1.1533646354093896
Energy: 1.076486431431375
Energy: 1.257921108014719
Energy: 1.0499267015644393
Energy: 1.0846357078772944
Energy: 1.0499267015642377
Energy: 1.1104666340023819
Energy: 1.053127404946561
Energy: 1.0840161178029872
Energy: 1.053127404946561
Energy: 1.0363971525795266
Energy: 1.0527913127434376
Energy: 1.2218143214762596
Energy: 1.0527913127434376
Energy: 1.0357278912560721
Energy: 1.0995425937907926
Energy: 1.2220879676510161
Energy: 1.0995425937909944

minimum gb energy = 1.0357278912560721 eV
minimum distance =  2.27511665731902 Angstroms
sigma value = 25


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

Energy: 1.0917938482249663
Energy: 0.9861667994938403
Energy: 1.320879294245822
Energy: 0.9861667994938403
Energy: 1.0330480416373364
Energy: 1.0264707620497746
Energy: 1.0387762835955905
Energy: 1.0264707620497746
Energy: 1.120797637444071
Energy: 0.968555705727233
Energy: 1.0658508679951337
Energy: 0.968555705727233
Energy: 0.9966242334934287
Energy: 0.9792497771525404
Energy: 1.053585493623805
Energy: 0.9792497771525404
Energy: 1.023666516008668
Energy: 0.9597975583713706
Energy: 1.100967491161764
Energy: 0.9597975583713706
Energy: 0.9965797303031558
Energy: 0.9781353198286623
Energy: 1.032373659406091
Energy: 0.9781353198286623
Energy: 1.0326682596467733
Energy: 0.9587711290966302
Energy: 1.0268111777337927
Energy: 0.9587711290966302
Energy: 1.0295858420386963
Energy: 0.9835842053995371
Energy: 1.0518018622638081
Energy: 0.9835842053995371
Energy: 1.0104697609526943
Energy: 0.9596931959691004
Energy: 1.0338962328151091
Energy: 0.9596931959691004
Energy: 1.0469085200208523
Energy: 1.0414499527850998
Energy: 1.0255710558846138
Energy: 1.0414499527850998
Energy: 0.9994102638269632
Energy: 0.9588895051077236
Energy: 1.045035359326575
Energy: 0.9588895051061838
Energy: 1.013634594502598
Energy: 0.9839364684744796
Energy: 1.0521619725060867
Energy: 0.9839364684744796
Energy: 1.0361517560756557
Energy: 0.9596765493254027
Energy: 0.9941342335494118
Energy: 0.9596765493254027
Energy: 1.0864393451344345
Energy: 0.9831752450210779
Energy: 0.9731005386581735
Energy: 0.9831752450210779
Energy: 0.9917842960553592
Energy: 0.9578206107445971
Energy: 1.1038218693715205
Energy: 0.9578206107445971
Energy: 0.9990582041357073
Energy: 0.9586983497878255
Energy: 1.0384774454350798
Energy: 0.9586983497862855
Energy: 1.1168941916736077
Energy: 0.9664553040913691
Energy: 1.0122116956065939
Energy: 0.9664553040913691
Energy: 1.002487060889204
Energy: 0.9986956113623345
Energy: 0.9863515153567588
Energy: 0.9986956113607947
Energy: 1.0379749652458636
Energy: 0.9838228954850943
Energy: 1.1012393557513767
Energy: 0.9838228954850943
Energy: 1.0329504211109095
Energy: 0.985116174828063
Energy: 1.0386980741891967
Energy: 0.985116174828063
Energy: 1.1166023789803161
Energy: 0.9665758832157895
Energy: 1.0123304410871627
Energy: 0.9665758832142496
Energy: 1.0501710623072955
Energy: 0.9790756162184476
Energy: 0.9885926578324179
Energy: 0.9790756162169078
Energy: 0.991637469537489
Energy: 0.9579044868574529
Energy: 1.101142246419296
Energy: 0.9579044868574529
Energy: 1.0205154509652785
Energy: 0.9584809448626452
Energy: 1.0333004277267692
Energy: 0.9584809448626452
Energy: 1.0328570501450587
Energy: 0.9589398535839151
Energy: 0.9941430894605001
Energy: 0.9589398535839151
Energy: 1.095250019033789
Energy: 0.9828695797469358
Energy: 0.9731432064652966
Energy: 0.9828695797469358

minimum gb energy = 0.9578206107445971 eV
minimum distance =  2.28292235173052 Angstroms
sigma value = 41


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

Energy: 1.057973119820422
Energy: 0.9190023272157957
Energy: 1.1952312284020723
Energy: 0.9190023272145331
Energy: 0.9873412597970359
Energy: 0.9469642339523363
Energy: 0.949579601591956
Energy: 0.9469642339535987
Energy: 1.0193464119027245
Energy: 0.8971945400755384
Energy: 1.0163430493774808
Energy: 0.8971945400768009
Energy: 0.9546681792068201
Energy: 0.9331309498685554
Energy: 0.9495005445125902
Energy: 0.9331309498685554
Energy: 1.00374659303773
Energy: 0.8854127336289869
Energy: 1.0061963146809705
Energy: 0.8854127336289869
Energy: 0.9543677305689592
Energy: 0.9054866972426389
Energy: 0.9307337569268026
Energy: 0.9054866972426389
Energy: 1.0111812559032791
Energy: 0.8814404500215708
Energy: 0.9747246146790854
Energy: 0.8814404500215708
Energy: 0.9528696511389341
Energy: 0.910521609329982
Energy: 0.9304550644334274
Energy: 0.9105216093312445
Energy: 0.9787279819653408
Energy: 0.8809397787763361
Energy: 0.9718814341304794
Energy: 0.8809397787775985
Energy: 0.982009898033636
Energy: 0.94451504586972
Energy: 0.9509148316689309
Energy: 0.94451504586972
Energy: 0.9761772101388562
Energy: 0.8812803822481599
Energy: 0.9635300240737144
Energy: 0.8812803822494224
Energy: 0.9652487135728887
Energy: 0.9288190515517868
Energy: 0.9804078814190004
Energy: 0.9288190515530493
Energy: 0.984901305588449
Energy: 0.8810388571797114
Energy: 0.9546966595725935
Energy: 0.8810388571797114
Energy: 0.9854763305059475
Energy: 0.8964763913026262
Energy: 0.9436460041807885
Energy: 0.8964763913026262
Energy: 0.9469478112223616
Energy: 0.8811381800934908
Energy: 0.9761855766056601
Energy: 0.8811381800934908
Energy: 0.918349174238281
Energy: 0.8958611634692533
Energy: 1.0001303369101016
Energy: 0.8958611634692533
Energy: 1.0156976305077576
Energy: 0.8809470060455338
Energy: 0.9436464273738586
Energy: 0.8809470060455338
Energy: 0.9512024630811691
Energy: 0.8811115251077638
Energy: 0.9327340229202721
Energy: 0.8811115251077638
Energy: 0.8885280952851683
Energy: 0.8850643146976083
Energy: 1.0078996244987006
Energy: 0.8850643146963457
Energy: 0.9247747504699378
Energy: 0.9177246904126655
Energy: 0.9964009616376301
Energy: 0.9177246904114029
Energy: 1.0172789848118327
Energy: 0.8963441898209269
Energy: 0.8965369298444642
Energy: 0.8963441898221892
Energy: 0.9909744376359624
Energy: 0.9197140983652435
Energy: 0.9467030656420448
Energy: 0.9197140983652435
Energy: 0.9929933846205209
Energy: 0.9180628399268177
Energy: 1.0094861853121304
Energy: 0.9180628399268177
Energy: 0.9603652086346258
Energy: 0.9213042508323223
Energy: 0.9965473791705937
Energy: 0.9213042508310597
Energy: 1.0165756247717803
Energy: 0.8964662251050668
Energy: 0.8968372014263855
Energy: 0.8964662251050668
Energy: 0.9514247852113705
Energy: 0.8983959774070037
Energy: 0.9466149585659034
Energy: 0.8983959774070037
Energy: 0.8883626630615902
Energy: 0.8852404938841648
Energy: 1.0092285220367754
Energy: 0.8852404938841648
Energy: 0.9295090761329049
Energy: 0.8952274760891673
Energy: 0.9745185076868494
Energy: 0.8952274760879049
Energy: 1.0103963673066287
Energy: 0.8810770247065091
Energy: 0.9435004946583124
Energy: 0.8810770247052466
Energy: 0.95336010971484
Energy: 0.8810631729318699
Energy: 0.9337715839477371
Energy: 0.8810631729318699
Energy: 0.9468825538797732
Energy: 0.8814636057650067
Energy: 0.9710832126968927
Energy: 0.8814636057650067
Energy: 0.9291008824523292
Energy: 0.8956491229443321
Energy: 0.9773149387180894
Energy: 0.8956491229443321

minimum gb energy = 0.8809397787763361 eV
minimum distance =  2.29012167571691 Angstroms
sigma value = 15


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

Energy: 1.0056385518973494
Energy: 0.8570318646866376
Energy: 1.098406229975662
Energy: 0.8570318646866376
Energy: 0.913589554192277
Energy: 0.8838044681840955
Energy: 0.9060927523714635
Energy: 0.883804468183026
Energy: 0.9435491580165105
Energy: 0.8445821551527314
Energy: 0.9764992138528515
Energy: 0.844582155153801
Energy: 0.8902119636539939
Energy: 0.8548283277577662
Energy: 0.9058980317529016
Energy: 0.8548283277577662
Energy: 0.9584627504351276
Energy: 0.8311411061818684
Energy: 0.9332326733804983
Energy: 0.8311411061807988
Energy: 0.8900645700059319
Energy: 0.8602424722768968
Energy: 0.8939288960439405
Energy: 0.8602424722779661
Energy: 0.9387471090772527
Energy: 0.8193592177561728
Energy: 0.9388929308284502
Energy: 0.8193592177561728
Energy: 0.8799899718895734
Energy: 0.8353544091641043
Energy: 0.893837000618195
Energy: 0.8353544091641043
Energy: 0.9312193910807434
Energy: 0.8173184440481401
Energy: 0.9136807465039064
Energy: 0.8173184440492096
Energy: 0.8796881475925429
Energy: 0.8362957008941387
Energy: 0.8952827705345162
Energy: 0.8362957008930693
Energy: 0.9169040316312179
Energy: 0.8172771586253434
Energy: 0.9149704196548947
Energy: 0.8172771586232045
Energy: 0.893605252612443
Energy: 0.8580542257334897
Energy: 0.9259593406525811
Energy: 0.8580542257324201
Energy: 0.9177502854386124
Energy: 0.8174686388783678
Energy: 0.9030146225039635
Energy: 0.8174686388783678
Energy: 0.9240561246214539
Energy: 0.8480399466787404
Energy: 0.899334717760749
Energy: 0.8480399466798099
Energy: 0.9013526842637395
Energy: 0.8174308409427344
Energy: 0.907088821059897
Energy: 0.817430840941665
Energy: 0.8934186645447367
Energy: 0.8484106946945891
Energy: 0.8946576691125279
Energy: 0.8484106946935195
Energy: 0.9208993242847083
Energy: 0.8176121018664165
Energy: 0.8988491697710681
Energy: 0.8176121018653469
Energy: 0.9373504080827446
Energy: 0.8274304362460102
Energy: 0.8736302479634042
Energy: 0.8274304362470797
Energy: 0.9000998373762988
Energy: 0.8175649298709265
Energy: 0.9178755486339898
Energy: 0.8175649298709265
Energy: 0.8825825025868352
Energy: 0.8372457051804764
Energy: 0.8904030436031128
Energy: 0.8372457051804764
Energy: 0.9429041860202465
Energy: 0.8197733921448408
Energy: 0.838031267416529
Energy: 0.8197733921437713
Energy: 0.9144369553489172
Energy: 0.8514144859008692
Energy: 0.8794206561310407
Energy: 0.8514144859008692
Energy: 0.8440005531793165
Energy: 0.8284841212228573
Energy: 0.9348274484197249
Energy: 0.8284841212207182
Energy: 0.8932798244302032
Energy: 0.873242707966619
Energy: 0.9104198259246516
Energy: 0.8732427079676884
Energy: 0.9418532842557755
Energy: 0.8412777263205548
Energy: 0.858315693658156
Energy: 0.8412777263205548
Energy: 0.9160164101310528
Energy: 0.8745750638827647
Energy: 0.900388292950394
Energy: 0.8745750638816953
Energy: 0.8767615405412165
Energy: 0.8560513089498293
Energy: 0.9357946451880765
Energy: 0.8560513089508986
Energy: 0.9136310459062695
Energy: 0.8719245055511069
Energy: 0.9104887383270728
Energy: 0.8719245055500375
Energy: 0.946796574310914
Energy: 0.8414210123122471
Energy: 0.8588065585936965
Energy: 0.8414210123111777
Energy: 0.9141290924973985
Energy: 0.8457720155591664
Energy: 0.9002189433263713
Energy: 0.8457720155602357
Energy: 0.8442768665156027
Energy: 0.8284957870621731
Energy: 0.935884317240793
Energy: 0.8284957870621731
Energy: 0.893025501910718
Energy: 0.8446731043344496
Energy: 0.8907789039336922
Energy: 0.8446731043323107
Energy: 0.93889234385674
Energy: 0.8198415876399929
Energy: 0.8379595444558141
Energy: 0.8198415876410624
Energy: 0.9062155832449732
Energy: 0.8265561447378735
Energy: 0.8795670457557662
Energy: 0.8265561447389431
Energy: 0.9002541524065631
Energy: 0.8174383558888851
Energy: 0.9253545025044729
Energy: 0.8174383558888851
Energy: 0.8829006175635079
Energy: 0.8364010225529616
Energy: 0.8954553326723461
Energy: 0.836401022554031
Energy: 0.9132390109335968
Energy: 0.8175443793532254
Energy: 0.8985800069484519
Energy: 0.8175443793542948

minimum gb energy = 0.8172771586232045 eV
minimum distance =  2.29654956452508 Angstroms
sigma value = 85


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

Energy: 0.9283991393143519
Energy: 0.8013639905539535
Energy: 1.0013072998919639
Energy: 0.8013639905530259
Energy: 0.8259323865043801
Energy: 0.7803529009048462
Energy: 0.8246675504302358
Energy: 0.7803529009048462
Energy: 0.8634763774952475
Energy: 0.7974980140430332
Energy: 0.956096833968969
Energy: 0.7974980140430332
Energy: 0.8134660479932424
Energy: 0.775586617865836
Energy: 0.8247288588787568
Energy: 0.775586617865836
Energy: 0.9345751584346678
Energy: 0.7619396929700122
Energy: 0.8604587458213753
Energy: 0.7619396929700122
Energy: 0.813295583873861
Energy: 0.6940495310527205
Energy: 0.812407881154317
Energy: 0.694049531053648
Energy: 0.8683754489277881
Energy: 0.7608911565926428
Energy: 0.9077127778559161
Energy: 0.7608911565935703
Energy: 0.8185166951766879
Energy: 0.7455029507339761
Energy: 0.8123805651002325
Energy: 0.7455029507339761
Energy: 0.8839948758673145
Energy: 0.74316258142219
Energy: 0.8757356222101084
Energy: 0.7431625814231175
Energy: 0.8185092397314124
Energy: 0.7511709213766058
Energy: 0.8166693753736906
Energy: 0.7511709213766058
Energy: 0.8340295405536701
Energy: 0.7432570515413732
Energy: 0.872420506772766
Energy: 0.7432570515413732
Energy: 0.8379388273132464
Energy: 0.7573281086653286
Energy: 0.816535879912016
Energy: 0.7573281086653286
Energy: 0.8468617882170151
Energy: 0.742088322685237
Energy: 0.844777511206837
Energy: 0.742088322685237
Energy: 0.8380041242837956
Energy: 0.7896235387552883
Energy: 0.8363604142507135
Energy: 0.7896235387552883
Energy: 0.8221028678488937
Energy: 0.7419235619611851
Energy: 0.8522526052995557
Energy: 0.7419235619611851
Energy: 0.8342779759619561
Energy: 0.7867045035937188
Energy: 0.8369925242985645
Energy: 0.7867045035927912
Energy: 0.8284866862921786
Energy: 0.7420295523609727
Energy: 0.8370406134167925
Energy: 0.7420295523609727
Energy: 0.8375537237875118
Energy: 0.7867705762127982
Energy: 0.8363303976921952
Energy: 0.7867705762127982
Energy: 0.8307613962524333
Energy: 0.7419761161399987
Energy: 0.8527204620413947
Energy: 0.7419761161399987
Energy: 0.8170745010020466
Energy: 0.755163150185329
Energy: 0.8402450527444467
Energy: 0.755163150185329
Energy: 0.834809631872603
Energy: 0.74173498809805
Energy: 0.8355126335870284
Energy: 0.7417349880971226
Energy: 0.8181338146868486
Energy: 0.7576088930970876
Energy: 0.8164032769794376
Energy: 0.7576088930961602
Energy: 0.8429562978852821
Energy: 0.7417513785905188
Energy: 0.8735678522176821
Energy: 0.7417513785914462
Energy: 0.810703522618212
Energy: 0.7785569861632625
Energy: 0.8188423756523404
Energy: 0.778556986162335
Energy: 0.8684400415741168
Energy: 0.7607128707074384
Energy: 0.7796619249065809
Energy: 0.7607128707083658
Energy: 0.8134597608498342
Energy: 0.7771570671791104
Energy: 0.8125288842053285
Energy: 0.7771570671791104
Energy: 0.7976290992086955
Energy: 0.7615780573266158
Energy: 0.8614262451603605
Energy: 0.7615780573275432
Energy: 0.822318308041578
Energy: 0.7791577979099437
Energy: 0.8132038427697195
Energy: 0.7791577979099437
Energy: 0.8620817491238623
Energy: 0.7970394331983524
Energy: 0.8034801516539839
Energy: 0.7970394331992801
Energy: 0.8260808322602715
Energy: 0.7808006542566769
Energy: 0.8248963969620043
Energy: 0.7808006542566769
Energy: 0.8367448313575098
Energy: 0.8008756036673762
Energy: 0.862896620732442
Energy: 0.8008756036673762
Energy: 0.8516603217922357
Energy: 0.7857569460222944
Energy: 0.8135714403242755
Energy: 0.7857569460222944
Energy: 0.8614405667844811
Energy: 0.7970729536973068
Energy: 0.8022017256891371
Energy: 0.7970729536963793
Energy: 0.813512352351804
Energy: 0.7499857983051255
Energy: 0.8250362255191566
Energy: 0.7499857983051255
Energy: 0.7975410975286998
Energy: 0.7616179056465596
Energy: 0.8624309869300324
Energy: 0.7616179056465596
Energy: 0.8222504036055996
Energy: 0.7451369276589287
Energy: 0.8189748508799763
Energy: 0.7451369276598562
Energy: 0.8689404024248777
Energy: 0.7607503112133219
Energy: 0.7794668666184073
Energy: 0.7607503112133219
Energy: 0.8182071430377091
Energy: 0.7449036365053938
Energy: 0.8123367788914984
Energy: 0.7449036365053938
Energy: 0.8430287160189815
Energy: 0.7418035744686092
Energy: 0.8731677243670628
Energy: 0.7418035744686092
Energy: 0.8108267011101357
Energy: 0.7422538510296466
Energy: 0.8401612009968747
Energy: 0.7422538510305742
Energy: 0.8340522140693187
Energy: 0.7418720005793861
Energy: 0.8354117564251167
Energy: 0.7418720005793861
Energy: 0.8380992278998065
Energy: 0.7585298076504924
Energy: 0.8167240166179562
Energy: 0.7585298076495649
Energy: 0.8307446339090071
Energy: 0.740052635018609
Energy: 0.8469034355355705
Energy: 0.7400526350176814

minimum gb energy = 0.6940495310527205 eV
minimum distance =  2.30144606216789 Angstroms
sigma value = 113


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

Energy: 0.01508477604460011
Energy: 0.015490279916717122
Energy: 1.6762734273273392
Energy: 0.015490279916004062
Energy: 0.015863069229589456
Energy: 0.7831445065991469
Energy: 0.015863069224716902
Energy: 0.7831445065991469
Energy: 1.5081584178291287
Energy: 0.015490279916717122
Energy: 0.01508477604460011
Energy: 0.015490279916717122
Energy: 0.01586306923236246
Energy: 0.7831445065991469
Energy: 0.015863069224716902
Energy: 0.7831445065991469
Energy: 0.01508477604460011
Energy: 0.015490279916004062
Energy: 1.6762734273259523
Energy: 0.015490279916004062
Energy: 0.01586306923584852
Energy: 0.7831445065991469
Energy: 0.015863069223290782
Energy: 0.7831445065991469

minimum gb energy = 0.01508477604460011 eV
minimum distance =  2.44288442124933 Angstroms
sigma value = 1