Model name: model_name=Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999995827675
cohesive_energy=4.450349977971171
mass=58.6934
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: 0.018156227885323756
Energy: 1.9782914864161913
Energy: 0.5934040931427554
Energy: 1.978291486416816
Energy: 1.978291486416816
Energy: 0.859942013661476
Energy: 1.978291486416816
Energy: 0.8599420136608512
Energy: 0.5934040931421308
Energy: 1.978291486416816
Energy: 0.018156227885323756
Energy: 1.978291486416816
Energy: 1.978291486416816
Energy: 0.859942013661476
Energy: 1.978291486416816
Energy: 0.8599420136608512

minimum gb energy = 0.018156227885323756 eV
minimum distance =  2.42577477173929 Angstroms
sigma value = 1


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

Energy: 2.3674902943340816
Energy: 2.529091384149964
Energy: 1.5514118598590212
Energy: 2.5290913841531735
Energy: 2.4389753115245507
Energy: 1.8267223340382368
Energy: 2.196632822335405
Energy: 1.8267223340382368
Energy: 1.8375400911235302
Energy: 2.4955890490811723
Energy: 2.24750806484237
Energy: 2.4955890490811723
Energy: 2.0405631235840125
Energy: 2.184984491480725
Energy: 2.142913087876691
Energy: 2.18498449148233
Energy: 2.125397602081714
Energy: 2.259001807641122
Energy: 2.3610306636543714
Energy: 2.2590018076419245
Energy: 2.282973580833712
Energy: 2.3997250222847875
Energy: 1.940749613157437
Energy: 2.399725022283985
Energy: 2.3825348828898054
Energy: 2.2316101035986837
Energy: 2.585020555184026
Energy: 2.231610103599486
Energy: 1.8606287498619172
Energy: 2.990358292923468
Energy: 1.8042656110449298
Energy: 2.990358292923468
Energy: 2.5363568399969454
Energy: 2.10255222051843
Energy: 2.3720563840063997
Energy: 2.10255222051843
Energy: 1.9413380131797666
Energy: 2.499586029323817
Energy: 1.81382927491226
Energy: 2.499586029323817
Energy: 2.2659485194833953
Energy: 2.0453691467709474
Energy: 2.585551234630933
Energy: 2.0453691467709474
Energy: 1.7659099513777596
Energy: 2.4775010841012866
Energy: 2.065727563250194
Energy: 2.4775010841036935
Energy: 2.3586961093055057
Energy: 2.1052581863735718
Energy: 2.2055446015550317
Energy: 2.1052581863743742
Energy: 2.2408065915552
Energy: 2.2855431932508137
Energy: 2.0154007272850882
Energy: 2.285543193251616
Energy: 2.1836346676422984
Energy: 2.120754490979354
Energy: 2.3366649894227574
Energy: 2.120754490979354
Energy: 2.237113577906422
Energy: 2.033624382813786
Energy: 2.3574649536851138
Energy: 2.033624382814588
Energy: 2.065513212035353
Energy: 2.4270992314975453
Energy: 1.787360383094817
Energy: 2.4270992314983477
Energy: 2.463496752167961
Energy: 1.849481682417869
Energy: 2.242981538079663
Energy: 1.849481682417869
Energy: 1.630310197016959
Energy: 2.6097882915285084
Energy: 1.989595425650029
Energy: 2.6097882915261015
Energy: 2.3861191795919474
Energy: 2.17625378180865
Energy: 2.5721905488865167
Energy: 2.176253781807848
Energy: 1.9746103653905647
Energy: 2.371472126039789
Energy: 1.8152345070819575
Energy: 2.371472126041394
Energy: 2.5546314481775174
Energy: 2.252608789453409
Energy: 2.27979704185718
Energy: 2.252608789453409
Energy: 2.2283073354970098
Energy: 2.418371748600626
Energy: 2.0747912487510414
Energy: 2.418371748607044
Energy: 2.1820493602697577
Energy: 2.1461254390233853
Energy: 2.41949351995811
Energy: 2.1461254390217808
Energy: 2.354200226472867
Energy: 2.2564990293353193
Energy: 2.4710062973475675
Energy: 2.256499029333715
Energy: 1.9435273262476152
Energy: 2.365740987524651
Energy: 2.0973097659413416
Energy: 2.365740987525454
Energy: 2.1871320854297043
Energy: 1.9509861018282078
Energy: 2.3162618387285425
Energy: 1.9509861018290102
Energy: 1.8856148280455427
Energy: 2.4543665258448333
Energy: 2.3562943399686347
Energy: 2.4543665258448333
Energy: 2.4676741398930293
Energy: 1.7183772413604375
Energy: 2.1428866542618814
Energy: 1.7183772413604375
Energy: 2.545566154668128
Energy: 2.460175823146236
Energy: 1.960694187516868
Energy: 2.460175823146236
Energy: 2.5425483357894048
Energy: 1.8246307373497161
Energy: 2.3005550724651607
Energy: 1.824630737348914
Energy: 2.2132296709096106
Energy: 2.304605794251673
Energy: 2.32416009399027
Energy: 2.3046057942508704
Energy: 2.028824037330987
Energy: 2.244422000903216
Energy: 2.155745256116268
Energy: 2.244422000902414

minimum gb energy = 1.5514118598590212 eV
minimum distance =  2.30571190339871 Angstroms
sigma value = 1


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

Energy: 2.2878678992365797
Energy: 2.563771507289695
Energy: 1.5913259663853025
Energy: 2.563771507289695
Energy: 2.3368914668816223
Energy: 1.8640578014506086
Energy: 2.114707248597913
Energy: 1.8640578014506086
Energy: 2.014440855946043
Energy: 2.470168534280577
Energy: 2.2157178526271535
Energy: 2.4701686452374956
Energy: 2.0706291280967903
Energy: 2.2173175305595203
Energy: 2.077552760912854
Energy: 2.2173175305595203
Energy: 1.9351370811152797
Energy: 2.217996844583949
Energy: 2.2414050464325523
Energy: 2.217996844583949
Energy: 2.0115022687838255
Energy: 2.4217034551657584
Energy: 1.8664208922524796
Energy: 2.4217034551657584
Energy: 2.4722397850060505
Energy: 2.2627255812307507
Energy: 2.4760659927049473
Energy: 2.2627255812316656
Energy: 1.8133344195380845
Energy: 2.721365946198551
Energy: 2.010981770486805
Energy: 2.721365946198551
Energy: 2.5205361019418833
Energy: 2.254331636907212
Energy: 2.2441832680383236
Energy: 2.254331636901724
Energy: 1.9068735908714296
Energy: 2.4852362598617126
Energy: 1.7081455476614946
Energy: 2.4852362598644566
Energy: 2.117541129012434
Energy: 2.051719033619681
Energy: 2.415568249085304
Energy: 2.051719033619681
Energy: 1.8445986804552625
Energy: 2.3170472827696016
Energy: 2.1034746220393785
Energy: 2.3170472827705164
Energy: 2.3075542739884063
Energy: 2.0108877051009713
Energy: 1.9446113409927737
Energy: 2.0108877051009713
Energy: 2.3138931012627473
Energy: 2.0313650338184237
Energy: 2.0292139073776823
Energy: 2.031365033819338
Energy: 1.8566728587699015
Energy: 2.325265801515615
Energy: 2.0385806780282794
Energy: 2.325265801515615
Energy: 2.0189037811720865
Energy: 2.0313565985506887
Energy: 2.4419343383667793
Energy: 2.031356598549774
Energy: 1.8626045426635545
Energy: 2.6153328351553977
Energy: 1.77659347517549
Energy: 2.6153328351553977
Energy: 2.4524328571323806
Energy: 2.2542132496426714
Energy: 2.244196699091631
Energy: 2.2542132496417566
Energy: 1.8013300512128667
Energy: 2.723925615928945
Energy: 2.1144366055931743
Energy: 2.7239256159280303
Energy: 2.4868422943077073
Energy: 2.2619893495372416
Energy: 2.480559364965286
Energy: 2.261989349536368
Energy: 2.027873047075655
Energy: 2.425576107649709
Energy: 1.9304134004535913
Energy: 2.4255761076487943
Energy: 1.9378998967940684
Energy: 2.2097638155335124
Energy: 2.2607577695461503
Energy: 2.2097638155335124
Energy: 2.064163297605168
Energy: 2.1959917898555723
Energy: 2.0865126629435036
Energy: 2.1959917898555723
Energy: 1.9774526025007706
Energy: 2.4655020529406246
Energy: 2.235665256311967
Energy: 2.4655020529497724
Energy: 2.2488597310332907
Energy: 1.8631769707956982
Energy: 2.114642051294636
Energy: 1.863176970796613
Energy: 2.287867899242983
Energy: 2.563771507289695
Energy: 1.867384522295563
Energy: 2.563771507289695
Energy: 2.336891466879792
Energy: 1.8640578014506086
Energy: 2.114707248598828
Energy: 1.8640578014506086
Energy: 2.0144408560100344
Energy: 2.47016997275482
Energy: 2.4190783370275257
Energy: 2.4701701355332863
Energy: 2.070629128103193
Energy: 2.2173175305595203
Energy: 2.190656845149994
Energy: 2.2173175305595203

minimum gb energy = 1.5913259663853025 eV
minimum distance =  2.28979315174612 Angstroms
sigma value = 25


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

Energy: 2.391871635467424
Energy: 2.5730359530478375
Energy: 1.7646249505603915
Energy: 2.5730359530478375
Energy: 2.460906962661274
Energy: 1.9640173144164872
Energy: 2.112891608586387
Energy: 1.9640173144164872
Energy: 2.2213499567872925
Energy: 2.5854857549208576
Energy: 2.1540984754712214
Energy: 2.5854857549208576
Energy: 2.1427627526218997
Energy: 2.33215611924074
Energy: 2.275427966446141
Energy: 2.332156119239677
Energy: 2.5364128752548285
Energy: 2.396068728287805
Energy: 2.493595179800334
Energy: 2.3960687282867417
Energy: 2.213676564544939
Energy: 3.0889167343601454
Energy: 2.2674390580076413
Energy: 3.0889167343612085
Energy: 2.6215251685952508
Energy: 2.4221223115630064
Energy: 2.811426059131924
Energy: 2.4221223115651327
Energy: 2.040418517944296
Energy: 2.558707876272588
Energy: 2.2093425124643855
Energy: 2.558707876264081
Energy: 2.787189155289609
Energy: 2.1211625653164132
Energy: 2.1883802316024177
Energy: 2.1211625653164132
Energy: 2.0480406043036457
Energy: 2.5626378135428176
Energy: 2.0180715703507253
Energy: 2.5626378135417545
Energy: 2.075426871336972
Energy: 2.083931590022307
Energy: 2.3219093209275745
Energy: 2.083931590022307
Energy: 2.32704510956702
Energy: 2.318190608347279
Energy: 2.2924388340968167
Energy: 2.318190608347279
Energy: 2.294555926429824
Energy: 2.468955355124447
Energy: 2.212300997977328
Energy: 2.468955355098925
Energy: 2.620837587158424
Energy: 2.4405603072469475
Energy: 2.1314887644588403
Energy: 2.4405603072469475
Energy: 1.8491888253669604
Energy: 2.6259183797936045
Energy: 2.270830246149305
Energy: 2.6259183797936045
Energy: 2.3711141316004665
Energy: 2.4226102450470584
Energy: 2.7333141430772216
Energy: 2.4226102450470584
Energy: 2.114938102132216
Energy: 2.9704993519351235
Energy: 1.954720888328636
Energy: 2.9704993519340603
Energy: 2.68146404305324
Energy: 2.428251385919935
Energy: 2.1626340916101756
Energy: 2.4282513859220622
Energy: 2.127741513655892
Energy: 2.484454945239107
Energy: 2.276121691081126
Energy: 2.484454945239107
Energy: 1.9769753413779776
Energy: 2.731546659077894
Energy: 2.257723398591318
Energy: 2.731546659077894
Energy: 2.336858426523297
Energy: 2.0398303786914895
Energy: 2.3175366754879567
Energy: 2.0398303786914895
Energy: 2.4905714609190275
Energy: 2.5746016403010064
Energy: 1.9168676906772055
Energy: 2.574601640302069
Energy: 2.498372828378958
Energy: 1.9653006434334301
Energy: 2.1016991561010174
Energy: 1.9653006434334301
Energy: 2.1822871125633116
Energy: 2.521205628382394
Energy: 2.0517832702685954
Energy: 2.5212056380718524
Energy: 2.1664208454361145
Energy: 2.234271988249985
Energy: 2.3131146887664875
Energy: 2.234271988244668

minimum gb energy = 1.7646249505603915 eV
minimum distance =  2.30766474377028 Angstroms
sigma value = 9


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

Energy: 2.279203770476396
Energy: 2.2909872992799576
Energy: 2.109252966129172
Energy: 2.2909872992799576
Energy: 2.716888214710645
Energy: 2.200284276894353
Energy: 1.9847016656553957
Energy: 2.200284276895622
Energy: 2.1149270071989945
Energy: 2.175027428382121
Energy: 1.969339687963909
Energy: 2.175027428382121
Energy: 2.6993211539821833
Energy: 2.8489613140243524
Energy: 2.1888066931299766
Energy: 2.8489613140243524
Energy: 2.63431685340833
Energy: 2.5983448787968557
Energy: 2.202637842534145
Energy: 2.5983448787968557
Energy: 2.373073804848678
Energy: 2.98482216594189
Energy: 2.5966316286384545
Energy: 2.984822165933039
Energy: 2.142644408810827
Energy: 2.4036647878972954
Energy: 2.8156776638990784
Energy: 2.4036647878972954
Energy: 2.196311970499181
Energy: 2.737338910395117
Energy: 2.146607324709969
Energy: 2.737338910384969
Energy: 2.3235953822567654
Energy: 1.9183964174297237
Energy: 2.252458099021989
Energy: 1.9183964174297237
Energy: 2.604145448533834
Energy: 2.729383389761575
Energy: 2.2428041608095843
Energy: 2.729383389761575
Energy: 2.2532323139809614
Energy: 2.1355022460055393
Energy: 2.1556865271822763
Energy: 2.135502246004271
Energy: 2.104228132397179
Energy: 2.5879488176854264
Energy: 2.6781741878371723
Energy: 2.5879488605403163
Energy: 2.1404015201127664
Energy: 2.5314341543711425
Energy: 1.9781447003944768
Energy: 2.5314341543711425
Energy: 2.4662010418569356
Energy: 2.6314859890271776
Energy: 2.2285002814243526
Energy: 2.6314859890284463
Energy: 2.1430690944505937
Energy: 2.538723150659719
Energy: 2.1032067090040054
Energy: 2.538723150659719
Energy: 2.1568862598759444
Energy: 2.599046869492852
Energy: 2.7770288332802275
Energy: 2.5990468719552497
Energy: 2.255136113381078
Energy: 2.1548210434884156
Energy: 2.136013323288714
Energy: 2.1548210434884156
Energy: 2.5990722481727464
Energy: 2.724284505284118
Energy: 2.2466411747332855
Energy: 2.724284505284118
Energy: 2.3029079262654606
Energy: 1.9254881876289605
Energy: 2.2792439903792174
Energy: 1.9254881876289605
Energy: 2.212525912056251
Energy: 2.739128681282559
Energy: 2.1568131372555217
Energy: 2.739128681282559
Energy: 2.168000450509155
Energy: 2.4058951968148605
Energy: 2.8140292979127426
Energy: 2.4058951968148605

minimum gb energy = 1.9183964174297237 eV
minimum distance =  2.28833793259261 Angstroms
sigma value = 25


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

Energy: 2.3631233626850854
Energy: 1.9546863030584636
Energy: 2.5184848479784683
Energy: 1.9546863030568946
Energy: 2.865743298112788
Energy: 2.4294660253725544
Energy: 1.9583380883451886
Energy: 2.4294660253725544
Energy: 2.5329424781022944
Energy: 2.414179782420513
Energy: 2.1589605373713114
Energy: 2.414179782508294
Energy: 2.85510589509657
Energy: 2.6040463417718125
Energy: 2.1976627755864286
Energy: 2.6040463417718125
Energy: 2.58280066748573
Energy: 2.620977717732329
Energy: 2.2567146831792315
Energy: 2.620977717732329
Energy: 1.9889779506323697
Energy: 2.779158974196343
Energy: 2.6184978106991768
Energy: 2.779158974196343
Energy: 1.9310326674547478
Energy: 2.1053263436084446
Energy: 2.612663535495895
Energy: 2.1053263436084446
Energy: 2.295395920950346
Energy: 2.2653588260201496
Energy: 2.615036224792363
Energy: 2.2653588260201496
Energy: 2.262684948819933
Energy: 2.438910976784545
Energy: 2.870054585085178
Energy: 2.438910976784545
Energy: 2.5672492099578723
Energy: 2.142913072288172
Energy: 2.1795844296958884
Energy: 2.142913072289741
Energy: 1.934938197532614
Energy: 2.5027904217806176
Energy: 2.377498276015895
Energy: 2.502790421779049
Energy: 2.285007034839669
Energy: 2.7920263707476844
Energy: 2.554714782015575
Energy: 2.7920263707476844
Energy: 2.1904436546112747
Energy: 2.778754896277545
Energy: 2.182062618843902
Energy: 2.778754896277545
Energy: 1.9966063456471652
Energy: 2.219139355841219
Energy: 2.6335030069472856
Energy: 2.219139355841219
Energy: 1.9330977746341513
Energy: 2.039946914187191
Energy: 2.4560904965077817
Energy: 2.039946914184054
Energy: 2.3553284859158694
Energy: 2.8616494779210013
Energy: 2.184217936802073
Energy: 2.8616494779194324
Energy: 2.171955728100326
Energy: 2.6517427534090454
Energy: 2.7416251758667145
Energy: 2.6517427534090454

minimum gb energy = 1.9310326674547478 eV
minimum distance =  2.3109540605238 Angstroms
sigma value = 17


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

Energy: 2.276178338837532
Energy: 2.4116896108799595
Energy: 2.3023848004821845
Energy: 2.4116896108799595
Energy: 2.945114162806893
Energy: 2.434770460004963
Energy: 2.205305335850008
Energy: 2.434770460004963
Energy: 2.488429598015985
Energy: 2.390818016159593
Energy: 2.2744563189278844
Energy: 2.3908180161604817
Energy: 2.481793071119183
Energy: 2.733202568475975
Energy: 2.0865041375615805
Energy: 2.733202568475975
Energy: 2.80986150405013
Energy: 2.6721092543231246
Energy: 2.3042303331353335
Energy: 2.6721092543231246
Energy: 2.345181913541044
Energy: 2.606569594142813
Energy: 2.741988283508016
Energy: 2.6065695941419245
Energy: 2.594953930546125
Energy: 2.386058878514635
Energy: 2.3519036623507876
Energy: 2.386058878514635
Energy: 2.5515350744791823
Energy: 2.3680582505517545
Energy: 2.464338043428233
Energy: 2.368058250550866
Energy: 2.5109938570824695
Energy: 2.6547567472631797
Energy: 2.5083707607111405
Energy: 2.6547567472640683
Energy: 2.6915572718012517
Energy: 2.9674508276249845
Energy: 2.3215277773812417
Energy: 2.9674508276258735
Energy: 2.1315007540927287
Energy: 2.626963800635398
Energy: 2.670711408888597
Energy: 2.6269638006345097
Energy: 2.5264569337876335
Energy: 2.325410068617962
Energy: 2.605433338927848
Energy: 2.3254100686170736
Energy: 2.6805705415343364
Energy: 2.4987188168642698
Energy: 2.263130803976059
Energy: 2.4987188168642698
Energy: 2.183081173636652
Energy: 2.768106183325186
Energy: 2.630400972262565
Energy: 2.768106183209723
Energy: 2.483030260593435
Energy: 2.4503610286100836
Energy: 2.4783662473598973
Energy: 2.450361034450187
Energy: 2.4446616660478955
Energy: 2.6143293498205105
Energy: 2.2539759692465893
Energy: 2.6143293498205105
Energy: 2.29683821291408
Energy: 2.5713748382912116
Energy: 2.8477066952497005
Energy: 2.5713748382912116
Energy: 2.503764531575458
Energy: 2.4991899150592283
Energy: 2.337378877502312
Energy: 2.4991899150592283
Energy: 1.9939835390277951
Energy: 2.352249425263385
Energy: 2.841057730507433
Energy: 2.352249425264273
Energy: 1.992678272576487
Energy: 2.6806460853898564
Energy: 2.4862003455485433
Energy: 2.6806460853898564
Energy: 2.2853275403455955
Energy: 2.4937895217363217
Energy: 2.293095205388951
Energy: 2.4937895217363217
Energy: 2.422792755936002
Energy: 2.762221107354483
Energy: 3.027682699283255
Energy: 2.762221107354483
Energy: 2.030068958466303
Energy: 2.541199160365838
Energy: 2.2305125822844305
Energy: 2.541199160366726
Energy: 2.434890899849727
Energy: 2.294126622615761
Energy: 2.7606184778312146
Energy: 2.2941266226361963
Energy: 2.38111254396263
Energy: 2.404873080196127
Energy: 2.5413366760508196
Energy: 2.404873080196127
Energy: 2.201016228765772
Energy: 2.615398444104596
Energy: 2.2383596076695276
Energy: 2.6153984441054847
Energy: 2.398166152050432
Energy: 2.7567667163365113
Energy: 2.7605386648451415
Energy: 2.7567667163365113
Energy: 2.1293466697209413
Energy: 2.6604958510893484
Energy: 2.2984492976757567
Energy: 2.6604958510893484
Energy: 2.7503182142626494
Energy: 2.6989484660247927
Energy: 2.4864669204621035
Energy: 2.6989484660247927
Energy: 2.4549853585771824
Energy: 2.235819948565912
Energy: 2.58443063715355
Energy: 2.235819948565912

minimum gb energy = 1.992678272576487 eV
minimum distance =  2.31402869094945 Angstroms
sigma value = 53


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

Energy: 2.202616192449889
Energy: 2.1203196710901597
Energy: 2.7043193729192287
Energy: 2.1203196710901597
Energy: 2.655238951989944
Energy: 2.209722410251713
Energy: 2.016223583543876
Energy: 2.2097224102476214
Energy: 2.6335057500600776
Energy: 2.788366915548405
Energy: 2.223771965276691
Energy: 2.7883669155504505
Energy: 2.609953088250498
Energy: 2.7819573305624927
Energy: 2.29876615764933
Energy: 2.781957330564538
Energy: 2.6554573739758807
Energy: 2.192507920275143
Energy: 2.053086005280523
Energy: 2.192507920242416
Energy: 2.202616192449889
Energy: 2.1203196710901597
Energy: 3.157421502979709
Energy: 2.1203196710901597
Energy: 2.655238951989944
Energy: 2.2097224102639847
Energy: 2.3008135365643567
Energy: 2.2097224102619397
Energy: 2.6335057500600776
Energy: 2.7883669155504505
Energy: 2.3047805112684214
Energy: 2.788366915548405
Energy: 2.609995644871952
Energy: 2.7819573305584018
Energy: 2.5724378467647844
Energy: 2.7819573305584018
Energy: 2.6554573739758807
Energy: 2.1925079205266407
Energy: 2.2374883305707933
Energy: 2.192507920530685
Energy: 2.202616192449889
Energy: 2.1203196710922056
Energy: 2.609381880405708
Energy: 2.1203196710901597
Energy: 2.655238951989944
Energy: 2.2097224102721666
Energy: 2.5949384984178456
Energy: 2.2097224102721666
Energy: 2.6335057500600776
Energy: 2.788366915548405
Energy: 2.3047805112684214
Energy: 2.788366915548405

minimum gb energy = 2.016223583543876 eV
minimum distance =  2.31470225624541 Angstroms
sigma value = 9


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

Energy: 2.5323018370033994
Energy: 2.266498906448697
Energy: 2.5945335032424515
Energy: 2.266498906448697
Energy: 2.821148192514372
Energy: 2.6026260536681036
Energy: 2.43639219037022
Energy: 2.602626053668861
Energy: 2.552718773399955
Energy: 2.782536757236221
Energy: 2.3055643918143054
Energy: 2.7825367572490913
Energy: 2.6882434441808547
Energy: 2.5558463873872515
Energy: 2.1648921444288973
Energy: 2.555846387386494
Energy: 2.7577878470380104
Energy: 2.40278898053515
Energy: 2.129581039376141
Energy: 2.40278898053515
Energy: 2.1279336298662
Energy: 2.406603873962376
Energy: 2.787530839389285
Energy: 2.406603873962376
Energy: 2.8436435263299327
Energy: 2.7210040768479757
Energy: 2.462247540796749
Energy: 2.7210040768479757
Energy: 2.4618390063399955
Energy: 2.569699952666945
Energy: 2.556997872496351
Energy: 2.569699952666945
Energy: 2.5651140667168915
Energy: 2.527147401606081
Energy: 2.2203294509180003
Energy: 2.527147401606081
Energy: 2.6202834780264803
Energy: 2.621098268059594
Energy: 2.540507309580389
Energy: 2.6210982680618655
Energy: 2.312090639020633
Energy: 2.6211873895261064
Energy: 2.7478695462578226
Energy: 2.621187389526863
Energy: 2.5837126282580476
Energy: 2.8524135606430607
Energy: 2.175815153587796
Energy: 2.8524135606430607
Energy: 2.2459384718558564
Energy: 2.729960080356307
Energy: 2.642423776151671
Energy: 2.729960080356307
Energy: 3.118479202036922
Energy: 2.384971639475121
Energy: 2.4334520414524645
Energy: 2.384971639475121
Energy: 2.7210009858663247
Energy: 2.7650519913946305
Energy: 2.5645791016404136
Energy: 2.7650519913946305
Energy: 2.1145655084102652
Energy: 2.753805459723533
Energy: 2.5695951241793153
Energy: 2.753805459725047
Energy: 2.6993606757633457
Energy: 2.981849301887295
Energy: 2.518320386006276
Energy: 2.9818493018865384
Energy: 2.228963986963515
Energy: 2.3673739405737195
Energy: 3.0426927037586737
Energy: 2.3673739405737195
Energy: 2.6868193907746565
Energy: 2.4947575663651507
Energy: 2.275968388074936
Energy: 2.4947575663651507
Energy: 2.194705412233829
Energy: 2.771521984395308
Energy: 2.661477095014841
Energy: 2.771521984390766
Energy: 2.4999536289148168
Energy: 2.6084741665944953
Energy: 2.574104536654929
Energy: 2.608474166595252
Energy: 2.824030993802835
Energy: 2.933859679159388
Energy: 2.562765336489404
Energy: 2.933859679159388
Energy: 2.229998882300287
Energy: 2.405519556143438
Energy: 2.7538671053549733
Energy: 2.4055195561426803
Energy: 2.822950362911441
Energy: 2.394698363140545
Energy: 2.326195640264393
Energy: 2.394698363140545
Energy: 2.373789609465932
Energy: 2.789814925360533
Energy: 2.965231067031153
Energy: 2.789814925359776
Energy: 2.3596221226908267
Energy: 2.5323028785554245
Energy: 2.323061245790886
Energy: 2.5323028785554245
Energy: 2.420759359532635
Energy: 2.5388899793719215
Energy: 2.6746268569031804
Energy: 2.53888997936965
Energy: 2.3950488202898677
Energy: 2.6076138348844067
Energy: 2.792521567084648
Energy: 2.6076138348836495
Energy: 2.404587969199429
Energy: 2.6325851712806707
Energy: 2.32197745894057
Energy: 2.632585171281428
Energy: 2.52635809249807
Energy: 2.7360470162933295
Energy: 2.9697207172675193
Energy: 2.7360470162918156
Energy: 2.2568548189369655
Energy: 2.45454818456435
Energy: 2.300758973602408
Energy: 2.45454818456435
Energy: 2.2180303983676493
Energy: 2.3504041964186997
Energy: 2.770419493746289
Energy: 2.3504041964186997
Energy: 2.310898264775733
Energy: 2.819821431338591
Energy: 2.564898090932042
Energy: 2.819821431338591
Energy: 2.4939342227266037
Energy: 2.6567871918948653
Energy: 2.484074860086528
Energy: 2.6567871918948653
Energy: 2.1738676107686707
Energy: 2.7452239039166004
Energy: 2.8358378516880833
Energy: 2.7452239039166004

minimum gb energy = 2.1145655084102652 eV
minimum distance =  2.31092038050832 Angstroms
sigma value = 73


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

Energy: 2.3028480400074063
Energy: 2.3903904956950237
Energy: 2.7291668977452237
Energy: 2.3903904956950237
Energy: 2.796231898640387
Energy: 2.590399609898184
Energy: 2.3631600031201976
Energy: 2.590399609898184
Energy: 2.569409765624617
Energy: 2.8078192542278373
Energy: 2.258897106723823
Energy: 2.8078192542290386
Energy: 2.4955173930244445
Energy: 2.664848956973051
Energy: 2.2403567782133074
Energy: 2.6648489569718503
Energy: 2.4552697738349827
Energy: 2.4653147783859626
Energy: 2.435806847464701
Energy: 2.4653147783859626
Energy: 2.416310961020637
Energy: 2.517407752028743
Energy: 2.537739358064029
Energy: 2.517407752028743
Energy: 2.8189635687668795
Energy: 2.570481424636845
Energy: 2.3324440213814044
Energy: 2.570481424636845
Energy: 2.059623096168446
Energy: 2.656885319371547
Energy: 2.425550965029587
Energy: 2.6568853193727486
Energy: 2.9414940149281192
Energy: 2.4027472111372092
Energy: 2.0956234532149964
Energy: 2.4027472111432155
Energy: 2.8617475058787196
Energy: 2.783525235525206
Energy: 2.7813683019793105
Energy: 2.783525235525206
Energy: 2.1576031903615265
Energy: 2.455939689882509
Energy: 2.628887033723843
Energy: 2.455939689882509
Energy: 2.5106308368233363
Energy: 2.691002833019453
Energy: 2.1947671954181263
Energy: 2.691002833019453
Energy: 2.247175188474613
Energy: 2.36562177164126
Energy: 2.9878689461253356
Energy: 2.36562177164126
Energy: 2.603905536946812
Energy: 2.3637347773031068
Energy: 2.4096607484434327
Energy: 2.3637347773019055
Energy: 2.388616050699298
Energy: 2.714301275798608
Energy: 2.613412680508774
Energy: 2.714301275798608
Energy: 2.622503857738855
Energy: 2.7164067020015996
Energy: 2.3332515388415267
Energy: 2.7164067020015996
Energy: 2.5172515475639483
Energy: 2.8338468716191896
Energy: 2.7221660729510035
Energy: 2.8338468716191896
Energy: 2.4797753420581126
Energy: 2.4642276048079808
Energy: 2.869825453824124
Energy: 2.4642276048079808
Energy: 2.4037998109688465
Energy: 2.4581194338843377
Energy: 2.3862781833004667
Energy: 2.4581194338843377
Energy: 2.486563802969262
Energy: 3.022902028865574
Energy: 2.844044886754945
Energy: 3.022902028865574
Energy: 2.6679459824068883
Energy: 2.5034953279944996
Energy: 2.4020137023423094
Energy: 2.5034953279932983
Energy: 2.2654741357960133
Energy: 2.5761969329254057
Energy: 2.726835103074123
Energy: 2.5761969329254057

minimum gb energy = 2.059623096168446 eV
minimum distance =  2.2954631735765 Angstroms
sigma value = 7


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

Energy: 2.2964316405002516
Energy: 2.27569111893914
Energy: 2.7419777018679974
Energy: 2.27569111893914
Energy: 2.8759697528105144
Energy: 2.8918453359817695
Energy: 2.3604004230340068
Energy: 2.8918453359817695
Energy: 2.2330730157645546
Energy: 2.8079409396993413
Energy: 2.1966082060022645
Energy: 2.8079409396993413
Energy: 2.626130304647431
Energy: 2.595206114111785
Energy: 2.4042959848491448
Energy: 2.595206114112634
Energy: 2.4283453353799125
Energy: 2.520149980458703
Energy: 2.3785544774846747
Energy: 2.520149980458703
Energy: 2.0077142812058497
Energy: 2.6749227719626014
Energy: 2.6514792279853245
Energy: 2.6749227719626014
Energy: 2.7455698968692595
Energy: 2.712777889587191
Energy: 2.375113547631038
Energy: 2.712777889587191
Energy: 2.039427790948044
Energy: 2.557364144272455
Energy: 2.5240347076184966
Energy: 2.557364144273304
Energy: 2.7792190219500847
Energy: 2.2374876595471846
Energy: 2.1729121112767698
Energy: 2.2374876595454865
Energy: 2.1058514718594346
Energy: 3.0171803611675037
Energy: 2.8455242119704334
Energy: 3.0171803611675037
Energy: 2.6848657213822693
Energy: 2.6672153706061628
Energy: 2.2665852311376753
Energy: 2.6672153706061628
Energy: 2.6289302243405976
Energy: 2.640167079109986
Energy: 2.740660049025627
Energy: 2.6401670791091365
Energy: 2.3156568881228057
Energy: 2.4344797935759623
Energy: 2.8499993921951217
Energy: 2.4344797935751132
Energy: 2.3905920310898154
Energy: 2.546581282273561
Energy: 2.4103025459323373
Energy: 2.546581282273561
Energy: 2.3282004348331786
Energy: 2.577691934781357
Energy: 2.7527816298083367
Energy: 2.577691934781357
Energy: 2.856584947488874
Energy: 2.389434655131982
Energy: 2.2190222305243896
Energy: 2.389434655131982
Energy: 2.2028284458911696
Energy: 2.323490907407327
Energy: 2.799180832878779
Energy: 2.3234909074030807
Energy: 2.3654840563344095
Energy: 2.6734699771097525
Energy: 2.5485683990999863
Energy: 2.6734699771097525
Energy: 2.185442812691373
Energy: 2.6947547561008025
Energy: 2.7020864098770785
Energy: 2.6947547561008025
Energy: 2.2274751905116803
Energy: 2.678268446322484
Energy: 2.6491214570031567
Energy: 2.678268446322484
Energy: 3.041069207158587
Energy: 2.5422687131230246
Energy: 2.1680927277595923
Energy: 2.5422687131230246
Energy: 2.1076901291040895
Energy: 2.8792548584601736
Energy: 2.5580702825621615
Energy: 2.8792548584601736
Energy: 2.6888529728298276
Energy: 2.5716692675005715
Energy: 2.390925540095578
Energy: 2.5716692675005715
Energy: 2.150772163684058
Energy: 2.4068545860313515
Energy: 2.753940653812084
Energy: 2.4068545860305406
Energy: 2.861263277589495
Energy: 2.570067185711433
Energy: 2.4690787559441083
Energy: 2.570067185711433
Energy: 2.5295235945276073
Energy: 2.773854006553373
Energy: 2.276595791512755
Energy: 2.773854006553373
Energy: 2.3297446755036453
Energy: 2.7713243267646956
Energy: 2.5681822776095555
Energy: 2.7713243267663557
Energy: 2.738208941641949
Energy: 2.5050650956787828
Energy: 2.356495998774298
Energy: 2.5050650956864264
Energy: 2.035865245722349
Energy: 2.6251305964125615
Energy: 2.482177901631392
Energy: 2.6251305964125615
Energy: 2.8041629609494256
Energy: 3.150106291480891
Energy: 2.426922826244438
Energy: 3.150106291480891
Energy: 2.054408015931178
Energy: 2.616369557206404
Energy: 2.3639997429352464
Energy: 2.6163695572030066

minimum gb energy = 2.0077142812058497 eV
minimum distance =  2.32663402523194 Angstroms
sigma value = 29


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

Energy: 2.2878576148313288
Energy: 1.9226407205512837
Energy: 2.9930434070367933
Energy: 1.9226407205515468
Energy: 2.5229164242261373
Energy: 2.779351600168256
Energy: 2.672475909156483
Energy: 2.7793516073774307
Energy: 2.5091579267039097
Energy: 2.687097190277651
Energy: 2.321045349588387
Energy: 2.687097190277388
Energy: 2.6895155962134827
Energy: 2.459001331259432
Energy: 2.2885163792148444
Energy: 2.459001331186852
Energy: 2.66016003823848
Energy: 2.0574706348902763
Energy: 2.5148518360590315
Energy: 2.057470634881302
Energy: 2.142307144023481
Energy: 3.030983000693229
Energy: 2.540242067489558
Energy: 3.030983000693229
Energy: 2.3654670863949696
Energy: 2.0494053065343905
Energy: 2.659879224581864
Energy: 2.049405311537978
Energy: 2.2885288670503017
Energy: 2.4968748824587785
Energy: 2.695156335501556
Energy: 2.4968748824587785
Energy: 2.342304810185156
Energy: 2.6846111861201423
Energy: 2.3598892527896336
Energy: 2.684611186120438

minimum gb energy = 1.9226407205512837 eV
minimum distance =  2.31221897536149 Angstroms
sigma value = 5


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

Energy: 2.403788116279251
Energy: 2.639611062810835
Energy: 2.6294161505370464
Energy: 2.639611062810835
Energy: 2.7364991614323286
Energy: 2.5002711121378467
Energy: 2.2896554310767367
Energy: 2.5002711121378467
Energy: 1.976904815841411
Energy: 2.5744112424053456
Energy: 2.7836425871927015
Energy: 2.5744112424053456
Energy: 2.5637479396684197
Energy: 2.430698445365105
Energy: 2.5879626339359167
Energy: 2.4306984453643024
Energy: 2.287136670506214
Energy: 2.8450141388224055
Energy: 2.693616394599434
Energy: 2.8450141388224055
Energy: 2.350518260237852
Energy: 2.758124475399153
Energy: 2.45634962156817
Energy: 2.758124475399955
Energy: 2.156085015600066
Energy: 2.651831110471877
Energy: 2.362271804156192
Energy: 2.6518311104670635
Energy: 2.378755426986178
Energy: 2.6310133065322185
Energy: 2.3607955725053245
Energy: 2.631013306533824
Energy: 2.5913432736348057
Energy: 2.83072131127323
Energy: 2.1188207606290272
Energy: 2.83072131127323
Energy: 2.6156499784825606
Energy: 2.710827442644095
Energy: 2.330261063625308
Energy: 2.710827442644095
Energy: 2.357276547843106
Energy: 2.647898234953838
Energy: 2.2071349072852957
Energy: 2.647898234953036
Energy: 2.1711798022044886
Energy: 2.60847508644235
Energy: 2.659383869317744
Energy: 2.60847508644235
Energy: 2.560664683501292
Energy: 2.59448263943797
Energy: 2.389235380180016
Energy: 2.59448263943797
Energy: 2.4169824296532907
Energy: 2.7396693931202205
Energy: 2.7214252653320137
Energy: 2.7396693931210234
Energy: 2.7838837720188314
Energy: 2.6200499737677685
Energy: 2.262382042784911
Energy: 2.6200499737685705
Energy: 2.2087716248276426
Energy: 2.5571204699268657
Energy: 2.575239354600947
Energy: 2.55712046992847
Energy: 2.706585228825368
Energy: 2.4779418871165855
Energy: 2.2314593762700907
Energy: 2.4779418871165855
Energy: 2.4729631468815896
Energy: 2.6872539317833266
Energy: 2.581855154847702
Energy: 2.6872539317841295
Energy: 2.600063241071949
Energy: 2.6095615926324216
Energy: 2.3132356598920074
Energy: 2.6095615926324216
Energy: 2.130632958832061
Energy: 2.7549571398015
Energy: 2.575293011403145
Energy: 2.754957139800698
Energy: 2.252669064379598
Energy: 2.5728699687118213
Energy: 2.664912385305613
Energy: 2.5728699687118213
Energy: 2.347775940470424
Energy: 2.8356367135843965
Energy: 2.6686666095060154
Energy: 2.8356367135843965
Energy: 2.448267202830437
Energy: 2.6659574957138354
Energy: 2.1323207643309114
Energy: 2.6659574957138354
Energy: 2.661576971213683
Energy: 2.7308308024883994
Energy: 2.1668998690168944
Energy: 2.730830802486795
Energy: 2.6600445182357015
Energy: 2.7093720325298825
Energy: 2.427172950209784
Energy: 2.7093720325298825
Energy: 2.6642274922923703
Energy: 2.7970031055729945
Energy: 2.306622616389137
Energy: 2.7970031055737965
Energy: 2.2817234204466215
Energy: 2.53630778085333
Energy: 2.5549115831541913
Energy: 2.5363077808541323
Energy: 2.5284880581497013
Energy: 2.569450810601457
Energy: 2.308626982109191
Energy: 2.5694508105998524
Energy: 2.2622413551180616
Energy: 2.6262989837046002
Energy: 2.6674001942020187
Energy: 2.6262989837046002
Energy: 2.854671009702072
Energy: 2.653797264040703
Energy: 2.560749195792052
Energy: 2.653797264041505
Energy: 2.2044871341541685
Energy: 2.5143764128467607
Energy: 2.8005503357144126
Energy: 2.5143764128475627
Energy: 2.7468295704450196
Energy: 2.6253270392446852
Energy: 2.1235383932866907
Energy: 2.6253270392430808
Energy: 2.3840260531412762
Energy: 2.559967971469171
Energy: 2.5794319104002814
Energy: 2.5599679714683683

minimum gb energy = 1.976904815841411 eV
minimum distance =  2.30239846587239 Angstroms
sigma value = 1


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

Energy: 2.1483422824383025
Energy: 2.636995631139854
Energy: 2.609020656328961
Energy: 2.636995631139854
Energy: 2.4962098911586392
Energy: 2.613997048843461
Energy: 2.1493353007175964
Energy: 2.613997048843461
Energy: 1.8316263136617108
Energy: 2.7238696150845367
Energy: 2.413093534426255
Energy: 2.7238696150845367
Energy: 2.4243108901190995
Energy: 2.5194991119817582
Energy: 2.321786315789853
Energy: 2.5194991119806485
Energy: 2.0211579881062773
Energy: 2.7108691616162086
Energy: 2.4961813539811777
Energy: 2.7108691616162086
Energy: 2.3714146223000707
Energy: 2.5840968601833345
Energy: 2.5009638098141704
Energy: 2.584096860843066
Energy: 2.1080323768778872
Energy: 2.587020009973061
Energy: 2.4719473792111826
Energy: 2.587020009973061
Energy: 2.387057353617376
Energy: 2.658249352975209
Energy: 2.3892064380108557
Energy: 2.658249352975209
Energy: 2.517932104779192
Energy: 2.4988842105009637
Energy: 2.280057227384406
Energy: 2.4988842105009637
Energy: 2.3567623439508716
Energy: 2.7095612700666956
Energy: 2.418286517407188
Energy: 2.7095612700666956
Energy: 2.4503991422357334
Energy: 2.6922584808033707
Energy: 2.2400146374321297
Energy: 2.6922584808066983
Energy: 2.0327694318741756
Energy: 2.6097645281315507
Energy: 2.2723114751036233
Energy: 2.6097645281315507
Energy: 2.4087373993023355
Energy: 2.5552240527408365
Energy: 2.4966002396895837
Energy: 2.5552240527408365
Energy: 1.7839586678087824
Energy: 2.6860249527740874
Energy: 2.400850299740758
Energy: 2.6860249527740874
Energy: 2.323257873603538
Energy: 2.584841613404742
Energy: 2.2821123086458663
Energy: 2.584841613404742
Energy: 1.7503308835971856
Energy: 2.6697230329008534
Energy: 2.3575374263041584
Energy: 2.6697230329008534
Energy: 2.437702850896413
Energy: 2.717456031751955
Energy: 2.1182699748589
Energy: 2.717456031751955
Energy: 2.1483422824383025
Energy: 2.636995631139854
Energy: 2.6090206564165457
Energy: 2.636995631139854
Energy: 2.496209891166405
Energy: 2.6139970488423523
Energy: 2.1493353007175964
Energy: 2.6139970488423523
Energy: 1.831626313680569
Energy: 2.7238696150845367
Energy: 2.413093534426255
Energy: 2.7238696150845367
Energy: 2.42431089011799
Energy: 2.5194991119806485
Energy: 2.321786315789853
Energy: 2.5194991119806485
Energy: 2.0211579881073867
Energy: 2.7108691616173184
Energy: 2.4961813539811777
Energy: 2.7108691616173184
Energy: 2.3714146222923054
Energy: 2.5840968584680026
Energy: 2.5009638098141704
Energy: 2.584096860508209
Energy: 2.108032376811329
Energy: 2.587020009971951
Energy: 2.471947379207855
Energy: 2.587020009973061

minimum gb energy = 1.7503308835971856 eV
minimum distance =  2.30731333185606 Angstroms
sigma value = 17


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

Energy: 2.31157657930263
Energy: 2.9397536849199306
Energy: 2.57784076841315
Energy: 2.939753684919245
Energy: 2.601664080015624
Energy: 2.5871455586410637
Energy: 2.287666524047355
Energy: 2.587145558640378
Energy: 2.085720107736299
Energy: 2.6640564424013387
Energy: 2.843017932789163
Energy: 2.6640564424013387
Energy: 2.3390534414852406
Energy: 2.6089238984939183
Energy: 2.310592929792708
Energy: 2.6089238984939183
Energy: 1.8840208016756679
Energy: 2.7462390468575753
Energy: 2.545108522191973
Energy: 2.7462390468575753
Energy: 2.3233539154327216
Energy: 2.740796562102403
Energy: 2.679043919026582
Energy: 2.7407965621037738
Energy: 2.4385210910865025
Energy: 2.46485601875536
Energy: 2.402499517046245
Energy: 2.4648560187546744
Energy: 2.289407342022512
Energy: 2.7090961505521447
Energy: 2.2547191808862017
Energy: 2.709096150551459
Energy: 2.409107113999155
Energy: 2.5060310477983108
Energy: 2.5226754052149682
Energy: 2.5060310477983108
Energy: 2.572146205608434
Energy: 2.8477704317414405
Energy: 2.5360046891298134
Energy: 2.8477704317414405
Energy: 2.4367101236787283
Energy: 2.6441026717281484
Energy: 2.3111056852089527
Energy: 2.6441026717274627
Energy: 2.5678557696341073
Energy: 2.66869691657081
Energy: 2.3793552318186344
Energy: 2.66869691657081
Energy: 2.3171444417327334
Energy: 2.8228676464487603
Energy: 2.522438066402923
Energy: 2.8228676464480746
Energy: 2.096725660623922
Energy: 2.8322896106022464
Energy: 2.433899645910649
Energy: 2.832289610602932
Energy: 2.5202285131126465
Energy: 2.6593811003660015
Energy: 2.4606401691549538
Energy: 2.6593811003666876
Energy: 2.3027913309231933
Energy: 2.841468832432449
Energy: 2.6059424017827446
Energy: 2.8414688324317634
Energy: 2.496310876294773
Energy: 2.5538158863719342
Energy: 2.2483692498501595
Energy: 2.5538158863719342
Energy: 2.051997208204987
Energy: 2.840764252089812
Energy: 2.6409483022561537
Energy: 2.840764252089812
Energy: 2.441552121984485
Energy: 2.5910031512963654
Energy: 2.1935333444093272
Energy: 2.5910031512956797
Energy: 2.516143765164469
Energy: 2.589417821655408
Energy: 2.6552154845043767
Energy: 2.589417821658836
Energy: 2.5818686846390255
Energy: 2.613920089622291
Energy: 2.3127257336645393
Energy: 2.613920089622977
Energy: 2.000797318113948
Energy: 2.770035706493392
Energy: 2.8529413656641616
Energy: 2.7700357064927066
Energy: 2.4719191932145046
Energy: 2.7650543315947425
Energy: 2.620206592962859
Energy: 2.7650543315940572
Energy: 2.3076267382924627
Energy: 2.6441299208944833
Energy: 2.573833330542667
Energy: 2.6441299208937976
Energy: 2.5491494675884496
Energy: 2.913198947164927
Energy: 2.2015280095675633
Energy: 2.913198947166984
Energy: 2.1300325000047464
Energy: 2.5138290626715536
Energy: 2.42491818576976
Energy: 2.5138290626715536
Energy: 2.625017086793591
Energy: 2.961041649106591
Energy: 2.3615436411934625
Energy: 2.9610416491052196
Energy: 2.5668303246151036
Energy: 2.7868757570633274
Energy: 2.34625768726487
Energy: 2.786875757064013
Energy: 2.4487213104401557
Energy: 2.7972341389740745
Energy: 2.2313530983879106
Energy: 2.79723413897476
Energy: 2.51394971732659
Energy: 2.8304988444066734
Energy: 2.2411270445829983
Energy: 2.830498844407359
Energy: 2.350177333088773
Energy: 2.6413202833214036
Energy: 2.5828151861206474
Energy: 2.641320283320032
Energy: 2.3433285214847475
Energy: 2.7075235679469145
Energy: 2.5559394432894007
Energy: 2.7075235679469145
Energy: 2.544188424094996
Energy: 2.9063583044914627
Energy: 2.5028516977579125
Energy: 2.9063583044914627
Energy: 2.474432335021681
Energy: 2.5824857913424255
Energy: 2.384154536089796
Energy: 2.5824857913424255
Energy: 1.9923586602565921
Energy: 2.929886276583755
Energy: 2.6531939694488584
Energy: 2.929886276583755
Energy: 2.494142699329221
Energy: 2.503469294622122
Energy: 2.2917868403367962
Energy: 2.503469294580361
Energy: 2.6697809082695314
Energy: 2.7676030451698694
Energy: 2.500194230336124
Energy: 2.767603045170555
Energy: 2.5516964880214252
Energy: 2.695335082460588
Energy: 2.099783575232279
Energy: 2.695335082461274

minimum gb energy = 1.8840208016756679 eV
minimum distance =  2.29937350672228 Angstroms
sigma value = 89


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

Energy: 2.5909759709513467
Energy: 2.476204188006773
Energy: 2.957608932130765
Energy: 2.476204188006773
Energy: 2.339013505288596
Energy: 2.5514850246723237
Energy: 2.1905620007998774
Energy: 2.5514850246723237
Energy: 1.787505337971067
Energy: 2.8805687414962624
Energy: 2.6372957523677423
Energy: 2.880568740972666
Energy: 2.2058496426064695
Energy: 2.823663723180803
Energy: 1.7928904022139063
Energy: 2.8236637232022908
Energy: 2.4571209861938708
Energy: 2.4741368032713975
Energy: 2.564969314127349
Energy: 2.4741368032713975
Energy: 2.9395807666813756
Energy: 2.824938657061235
Energy: 2.0382536604528667
Energy: 2.824938657063029
Energy: 2.0297003709124506
Energy: 2.3594635319336104
Energy: 2.2593564863611313
Energy: 2.3594635317919272
Energy: 2.0420216855594187
Energy: 3.035839005517405
Energy: 1.9450474146446632
Energy: 3.035839005377557
Energy: 2.333435826480907
Energy: 2.460028293667482
Energy: 2.3382709366832946
Energy: 2.460028293667482
Energy: 2.255735265086745
Energy: 3.077382991723854
Energy: 2.4816917728180297
Energy: 3.0773829917202664
Energy: 2.0542141040846924
Energy: 2.608709598810914
Energy: 2.370755473798487
Energy: 2.608709598810914
Energy: 2.206062290100643
Energy: 2.639547345275521
Energy: 2.195558802407149
Energy: 2.639547345280903
Energy: 1.847397494657087
Energy: 2.636697990257371
Energy: 2.1262584352584843
Energy: 2.636697990257371
Energy: 2.1658838885813716
Energy: 2.6060761534574692
Energy: 2.161220100629362
Energy: 2.6060761534574692
Energy: 2.0638513231286986
Energy: 2.665928831857683
Energy: 1.979715818702231
Energy: 2.6659288318594765

minimum gb energy = 1.787505337971067 eV
minimum distance =  2.28384200828884 Angstroms
sigma value = 13


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

Energy: 2.5306077982016375
Energy: 2.5518766355510425
Energy: 2.4752841909373924
Energy: 2.5518766355517943
Energy: 2.2694140260424587
Energy: 2.6230221538428693
Energy: 1.797082400727016
Energy: 2.6230221538428693
Energy: 2.1953976051507995
Energy: 2.6782537208324455
Energy: 2.4686024280902443
Energy: 2.678253720831693
Energy: 2.1800650177645475
Energy: 2.61778933784382
Energy: 1.822789473847946
Energy: 2.61778933784382
Energy: 2.162985382553264
Energy: 2.6213423711687405
Energy: 2.36985625115851
Energy: 2.6213423711687405
Energy: 2.4500242460770942
Energy: 2.731539082994353
Energy: 2.1284048141909797
Energy: 2.7315390829928496
Energy: 2.2154131872113685
Energy: 2.6645808908949147
Energy: 2.4201262386972786
Energy: 2.6645808908964184
Energy: 2.4879462722899612
Energy: 2.7623878052519317
Energy: 2.123332411397878
Energy: 2.762387805253436
Energy: 2.1910632777925962
Energy: 2.5215993464447695
Energy: 2.321608881546373
Energy: 2.5215993464447695
Energy: 2.326438436160327
Energy: 2.924076589164288
Energy: 2.0349023518727365
Energy: 2.924076589165791
Energy: 2.1228904029603384
Energy: 2.686795507709993
Energy: 2.29246081620154
Energy: 2.686795507709993
Energy: 2.403350040319731
Energy: 2.829381833214354
Energy: 1.9951229402765458
Energy: 2.8293818332090903
Energy: 2.340618958176263
Energy: 2.754779316574023
Energy: 2.418097677650431
Energy: 2.754779316574023
Energy: 2.3047443796585183
Energy: 2.8759968560609455
Energy: 2.116626548955764
Energy: 2.8759968560632014
Energy: 2.315980569645372
Energy: 2.667916500904506
Energy: 2.444831561398516
Energy: 2.667916500904506
Energy: 2.2098835672300443
Energy: 2.4907977531186973
Energy: 2.2589733123737163
Energy: 2.4907977538567434
Energy: 2.235673121405051
Energy: 2.7274230340821237
Energy: 2.119573760804516
Energy: 2.727423035534154
Energy: 2.591852884952211
Energy: 2.8534407525454903
Energy: 2.2483785129434937
Energy: 2.853440752544738
Energy: 2.3960667613737403
Energy: 2.9435735315887017
Energy: 2.217059392235306
Energy: 2.9435735315887017
Energy: 2.395163534906785
Energy: 2.9498499166520173
Energy: 2.2105931263388334
Energy: 2.9498499166520173
Energy: 2.442118111398972
Energy: 2.829270731652458
Energy: 2.2449870765158297
Energy: 2.829270731652458
Energy: 2.186026197733659
Energy: 2.73405669282614
Energy: 2.1383754557302117
Energy: 2.734056692792303
Energy: 2.208176784207078
Energy: 2.7762120537960304
Energy: 2.2517677375344722
Energy: 2.7762120537960304
Energy: 2.3118753883544403
Energy: 2.6855239232896597
Energy: 2.2673800067054133
Energy: 2.6855239232896597
Energy: 2.311573770499434
Energy: 2.863370948236849
Energy: 2.1186510831934386
Energy: 2.863370948233841
Energy: 2.3126774180415843
Energy: 2.77757574720607
Energy: 2.428264755918244
Energy: 2.77757574720607
Energy: 2.4014362191975955
Energy: 2.80904589526932
Energy: 1.9517569825221783
Energy: 2.809045895280598
Energy: 2.123043433357608
Energy: 2.7767176398358204
Energy: 2.422694455684642
Energy: 2.7767176398365723
Energy: 2.319522345865191
Energy: 2.912720580918107
Energy: 2.0404953030769284
Energy: 2.9127205809166035
Energy: 2.1854803500559608
Energy: 2.503642614537506
Energy: 2.3730286840568464
Energy: 2.503642614537506
Energy: 2.505586937332903
Energy: 2.7718503813522184
Energy: 2.126219757175526
Energy: 2.7718503813522184
Energy: 2.216951676704147
Energy: 2.6024782490114178
Energy: 2.40804241666951
Energy: 2.6024782490121696
Energy: 2.5445752916548336
Energy: 2.726170383678439
Energy: 2.1316264535018377
Energy: 2.726170383676935
Energy: 2.2096426900746113
Energy: 2.6145305300342017
Energy: 2.4011436776165245
Energy: 2.6145305300349535
Energy: 2.200337596288191
Energy: 2.6329452046733537
Energy: 1.8207033414215472
Energy: 2.6329452046726014

minimum gb energy = 1.797082400727016 eV
minimum distance =  2.29154456881055 Angstroms
sigma value = 37


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

Energy: 2.180407314280613
Energy: 2.803778669172015
Energy: 2.3684025977619836
Energy: 2.803778669177189
Energy: 2.346171927317169
Energy: 2.5032117524316018
Energy: 1.7435440158415694
Energy: 2.5032117524316018
Energy: 2.1740134005485388
Energy: 2.572907729491795
Energy: 2.217929907304534
Energy: 2.572907729491795
Energy: 2.2840292156245194
Energy: 2.739263085470569
Energy: 1.6081195850520427
Energy: 2.739263085470569
Energy: 1.6034440262701228
Energy: 2.6614237167532213
Energy: 2.378105467441829
Energy: 2.6614237167519277
Energy: 2.1750637976084928
Energy: 2.6055588640430773
Energy: 1.893036693678313
Energy: 2.6055588640430773
Energy: 1.9468599585115889
Energy: 2.454206032657218
Energy: 2.2190424819068335
Energy: 2.454206032657218
Energy: 2.7686787450582733
Energy: 2.7157404349398773
Energy: 2.2252069139403656
Energy: 2.7157404349385836
Energy: 1.7295498279431771
Energy: 2.4277640582654434
Energy: 2.2626294751402973
Energy: 2.427764058266737
Energy: 2.1782146705257857
Energy: 2.7073846034131765
Energy: 2.0561039927392812
Energy: 2.7073846034131765
Energy: 1.7716955583149314
Energy: 2.816036843738114
Energy: 2.1659498602411302
Energy: 2.816036843738114
Energy: 2.1392974446051785
Energy: 2.890052814721686
Energy: 2.0123142644814367
Energy: 2.890052814721686
Energy: 1.8857547370381686
Energy: 2.618578324876062
Energy: 2.231794112230102
Energy: 2.618578324877355
Energy: 2.206105105684396
Energy: 2.788260679527794
Energy: 1.9611462245113094
Energy: 2.7882606795058025
Energy: 2.3730809400106083
Energy: 2.442242963681824
Energy: 2.555826957323369
Energy: 2.4422429636352523
Energy: 2.2210038684896336
Energy: 2.8594675546337363
Energy: 2.191776693371909
Energy: 2.8594675546337363
Energy: 2.0720977188230374
Energy: 2.654962409542251
Energy: 1.9840284083146074
Energy: 2.654962409542251
Energy: 2.1922646019261296
Energy: 2.502220741107647
Energy: 1.8984050728518629
Energy: 2.5022207410765995
Energy: 2.018946507408576
Energy: 2.966501899675126
Energy: 1.6972894604214799
Energy: 2.966501899675126
Energy: 2.0834412025460884
Energy: 2.5983146534624524
Energy: 2.1644975391270944
Energy: 2.5983146534611588

minimum gb energy = 1.6034440262701228 eV
minimum distance =  2.30367724962074 Angstroms
sigma value = 25


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

Energy: 2.0613493929732387
Energy: 2.393434240595356
Energy: 2.3233474153315434
Energy: 2.393434240502466
Energy: 2.1195600064400946
Energy: 2.325522316324366
Energy: 1.6322594098819942
Energy: 2.3255223163233563
Energy: 1.6784894103450272
Energy: 2.6442090499372877
Energy: 2.2793664491035286
Energy: 2.644209049934257
Energy: 2.2940721376232136
Energy: 2.4519625059512613
Energy: 1.7533604827290656
Energy: 2.4519625059512613
Energy: 1.5868993791448336
Energy: 2.44711035391676
Energy: 2.290407941897018
Energy: 2.44711035391676
Energy: 1.9424597957410639
Energy: 2.668187679802663
Energy: 1.6440152736921438
Energy: 2.6681876798056936
Energy: 1.7673739780193474
Energy: 2.520389712173239
Energy: 2.0888554088474574
Energy: 2.5203897121742487
Energy: 1.9757321035866053
Energy: 2.8443276153704495
Energy: 1.8271352285376943
Energy: 2.8443276153704495
Energy: 1.7947236714968295
Energy: 2.39332914520117
Energy: 2.164263532572651
Energy: 2.39332914520218
Energy: 2.6667490013439066
Energy: 2.4640652064167754
Energy: 2.0770572324484995
Energy: 2.4640652064369326
Energy: 1.787585750923963
Energy: 2.4215689526925885
Energy: 2.0975394013591004
Energy: 2.421568952688548
Energy: 1.9743411761503196
Energy: 2.787278742436529
Energy: 1.8221781937013077
Energy: 2.7872787424223855
Energy: 1.9472790118822894
Energy: 2.4233695735521095
Energy: 2.1066916863363696
Energy: 2.423369573554131
Energy: 2.0900551607289803
Energy: 2.6791936051972125
Energy: 1.6161569616170526
Energy: 2.6791936051972125
Energy: 1.6199780003832065
Energy: 2.6783471294575603
Energy: 1.882274553653091
Energy: 2.6783471295161045
Energy: 2.183591477193197
Energy: 2.559016711568395
Energy: 1.9825486523763503
Energy: 2.559016711567385
Energy: 1.8048561078721694
Energy: 2.6974635215967284
Energy: 2.1067517767758
Energy: 2.6974635215957186
Energy: 2.035972962293994
Energy: 2.543263683551802
Energy: 1.7489919086008316
Energy: 2.543263683550792
Energy: 1.9363384381070017
Energy: 2.590848702907538
Energy: 2.3910396794837725
Energy: 2.5908487031508987
Energy: 2.1058597947860647
Energy: 2.464799700979839
Energy: 1.9898670975823316
Energy: 2.464799700998022
Energy: 1.8053147237680272
Energy: 2.5713619082122863
Energy: 2.0234918747971946
Energy: 2.571361908129498
Energy: 1.9801255219912923
Energy: 2.697878932875386
Energy: 1.8295901654719278
Energy: 2.6978789328673045
Energy: 1.625795765113587
Energy: 2.582384669979174
Energy: 1.8529432554717498
Energy: 2.582384669980184
Energy: 1.8318329500399375
Energy: 2.466334001209147
Energy: 1.8585847343601745
Energy: 2.466334001209147
Energy: 1.660237989130296
Energy: 2.7462635444662977
Energy: 2.167616271362568
Energy: 2.7462635444662977
Energy: 1.974756033545649
Energy: 2.7188212439978563
Energy: 1.6915795793352095
Energy: 2.7188212439978563

minimum gb energy = 1.5868993791448336 eV
minimum distance =  2.29661894911495 Angstroms
sigma value = 41


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

Energy: 1.8471781482753162
Energy: 2.4786474396077023
Energy: 2.3104714680133527
Energy: 2.4786474396077023
Energy: 2.0817885890152894
Energy: 2.3447948045973575
Energy: 1.53354993619531
Energy: 2.3447948045973575
Energy: 1.7162540504917843
Energy: 2.329644529104919
Energy: 2.470874995077089
Energy: 2.3296445291057477
Energy: 2.0223817939259527
Energy: 2.3463998339897922
Energy: 1.5012277771634797
Energy: 2.3463998340022147
Energy: 1.4290442869508995
Energy: 2.460698324992966
Energy: 2.4380732214925267
Energy: 2.460698324992966
Energy: 2.1963665599126827
Energy: 2.374141311162075
Energy: 1.2627238646135113
Energy: 2.374141311162075
Energy: 1.3928513315251931
Energy: 2.5016960626214497
Energy: 2.2626536255096568
Energy: 2.5016960626214497
Energy: 2.0970895695806586
Energy: 2.552934106327513
Energy: 1.4382443428304954
Energy: 2.552934106325029
Energy: 1.5158658532169769
Energy: 2.2940786587407787
Energy: 2.21418919858021
Energy: 2.2940786587523734
Energy: 1.9925679049168024
Energy: 2.3288593437838525
Energy: 1.6213653834342379
Energy: 2.3288593437838525
Energy: 1.5414924039841713
Energy: 2.4042646633238416
Energy: 2.13225226205429
Energy: 2.4042646633238416
Energy: 2.2893718222059753
Energy: 2.4880725288267054
Energy: 1.8457293844733158
Energy: 2.4880725288267054
Energy: 1.5488286832730036
Energy: 2.3669188603507707
Energy: 2.130742903486551
Energy: 2.3669188603507707
Energy: 1.8449324078507399
Energy: 2.4196204177191407
Energy: 1.6449914562314705
Energy: 2.419620417420319
Energy: 1.6588555830971923
Energy: 2.487393718592442
Energy: 2.0317240546982758
Energy: 2.487393718592442
Energy: 1.8801105986588567
Energy: 2.600634577085615
Energy: 1.4450365725353513
Energy: 2.600634577085615
Energy: 1.4031892187419786
Energy: 2.3953185032639364
Energy: 1.9495705302244042
Energy: 2.395318503263108
Energy: 2.0647724461083303
Energy: 2.4846516794348883
Energy: 1.262983418603636
Energy: 2.4846516794340605
Energy: 1.5391604462500632
Energy: 2.6647180691424643
Energy: 1.8726619640966782
Energy: 2.664718069140808
Energy: 2.011699536523921
Energy: 2.497190718793311
Energy: 1.400311517218109
Energy: 2.497190718793311
Energy: 1.7205370983576933
Energy: 2.649322767196304
Energy: 1.9199566269602792
Energy: 2.649322767196304
Energy: 2.0684790593881606
Energy: 2.279444850497729
Energy: 1.5565048222527924
Energy: 2.2794448473097697
Energy: 1.9748940534425872
Energy: 2.5796155948821093
Energy: 2.2720346494531354
Energy: 2.5796155948821093
Energy: 2.0069860860781654
Energy: 2.410458582696789
Energy: 1.885946747016896
Energy: 2.4104585826951324
Energy: 1.7031892319926691
Energy: 2.4785514802877207
Energy: 2.007355104134152
Energy: 2.478551480289377
Energy: 2.002178083284997
Energy: 2.496004816294684
Energy: 1.6561621718642918
Energy: 2.496004816294684
Energy: 1.5601788272055004
Energy: 2.755289319956715
Energy: 1.8544721687750032
Energy: 2.755289319956715
Energy: 1.8169754733474541
Energy: 2.6037327622785997
Energy: 1.539151409532493
Energy: 2.603732762277771
Energy: 1.4660933603571389
Energy: 2.4122662758179314
Energy: 1.9589177840754932
Energy: 2.412266275807165
Energy: 1.9492425320915938
Energy: 2.482948517282644
Energy: 1.629415720043273
Energy: 2.4829485172818164
Energy: 1.405334725804384
Energy: 2.68546104204008
Energy: 2.0803169242176978
Energy: 2.68546104204008
Energy: 1.861349212694129
Energy: 2.673971564882072
Energy: 1.8456736900351007
Energy: 2.6739715539020072

minimum gb energy = 1.2627238646135113 eV
minimum distance =  2.31419722299598 Angstroms
sigma value = 15


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

Energy: 1.933044058954773
Energy: 2.3082301044396054
Energy: 2.2165227317668887
Energy: 2.3082301039479867
Energy: 2.08993115881184
Energy: 2.2997429561963805
Energy: 1.4405378817712593
Energy: 2.2997429561563902
Energy: 1.656331041040742
Energy: 2.3118427461414806
Energy: 2.4437445872711145
Energy: 2.3118427461372706
Energy: 2.050143299850432
Energy: 2.3433655838123513
Energy: 1.3842092513132167
Energy: 2.3433655838123513
Energy: 1.5629696861054863
Energy: 2.3614011125148058
Energy: 2.3355878547177493
Energy: 2.3614011125148058
Energy: 1.9624991621133638
Energy: 2.3934210446010105
Energy: 1.43037898541797
Energy: 2.393421044600309
Energy: 1.3907309782282689
Energy: 2.4715400882215275
Energy: 2.1815078598721978
Energy: 2.471540088220826
Energy: 1.9415686450406902
Energy: 2.345873578211515
Energy: 1.3581064817044226
Energy: 2.3458735782101123
Energy: 1.4534122549969253
Energy: 2.3680042030494275
Energy: 2.3084754842781123
Energy: 2.368004203037501
Energy: 1.8920072753802852
Energy: 2.3352137254810437
Energy: 1.3874004512723113
Energy: 2.3352137254810437
Energy: 1.430801650239341
Energy: 2.3049338895253024
Energy: 2.0997025699944025
Energy: 2.304933889526004
Energy: 1.7684507201929305
Energy: 2.3984900306961205
Energy: 1.7003625002301954
Energy: 2.3984900306933143
Energy: 1.5209580487408787
Energy: 2.2572264106383897
Energy: 2.1469244502268108
Energy: 2.257226410153085
Energy: 2.0838493334391726
Energy: 2.3114100827755735
Energy: 1.6429829852055187
Energy: 2.3114100827755735
Energy: 1.511790149942255
Energy: 2.349003824928678
Energy: 2.0709131886992145
Energy: 2.3490038249342904
Energy: 1.7874194738650155
Energy: 2.40529870806546
Energy: 1.66099387444131
Energy: 2.405298708078025
Energy: 1.4799063226291702
Energy: 2.447260755215613
Energy: 2.0818969603195185
Energy: 2.4472607552163144
Energy: 1.8276487101852725
Energy: 2.4050970745966778
Energy: 1.3881061127880627
Energy: 2.405097074593171
Energy: 1.433707664783699
Energy: 2.4970463401513108
Energy: 1.992589714964377
Energy: 2.4970463401513108
Energy: 1.994144125772471
Energy: 2.5075320267891668
Energy: 1.3349925478907207
Energy: 2.50753202679057
Energy: 1.5113377876251939
Energy: 2.476159551014509
Energy: 1.9875115014240181
Energy: 2.476159550996268
Energy: 1.9206426908957386
Energy: 2.422100271670696
Energy: 1.290684471337026
Energy: 2.4221002716713973
Energy: 1.5840159685126014
Energy: 2.4989506137431
Energy: 1.8649852461252698
Energy: 2.4989506137431
Energy: 2.0658296571127073
Energy: 2.3091842703420005
Energy: 1.7304286009985745
Energy: 2.309184270342702
Energy: 1.8294893769873097
Energy: 2.480698442891262
Energy: 1.875807973406564
Energy: 2.4806984428954717
Energy: 2.0425156324641627
Energy: 2.3830805460463536
Energy: 1.3237522079688102
Energy: 2.3830805460505635
Energy: 1.962475758321904
Energy: 2.3608316615281724
Energy: 2.106734064116857
Energy: 2.3608316573289403
Energy: 2.0804480981676594
Energy: 2.3741446639483565
Energy: 1.7821188396123795
Energy: 2.3741446639350268
Energy: 1.8123096664504108
Energy: 2.48155904852169
Energy: 2.0612585126451486
Energy: 2.48155904852169
Energy: 1.9926507298585985
Energy: 2.545214289103719
Energy: 1.5580386698347353
Energy: 2.545214289103719
Energy: 1.5838344877899748
Energy: 2.5163856330193974
Energy: 1.8444581947746665
Energy: 2.5163856330186958
Energy: 1.9187139886589242
Energy: 2.5683908936788025
Energy: 1.6480529041589904
Energy: 2.568390893677399
Energy: 1.5349080809061895
Energy: 2.600519683389793
Energy: 1.9937635518358368
Energy: 2.600519683390494
Energy: 1.8827217463866206
Energy: 2.7410555041473312
Energy: 1.4825114180766403
Energy: 2.7410555041473312
Energy: 1.511440726453615
Energy: 2.517273171166459
Energy: 2.0527244696184233
Energy: 2.5172731711650562
Energy: 1.795257900209986
Energy: 2.5884778734107377
Energy: 1.682745910025617
Energy: 2.5884778734128426
Energy: 1.8084052676886468
Energy: 2.3403220637528843
Energy: 2.1435717800229264
Energy: 2.3403220642647855

minimum gb energy = 1.290684471337026 eV
minimum distance =  2.30527622804756 Angstroms
sigma value = 85


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

Energy: 1.6996830136071737
Energy: 2.2781572991126824
Energy: 2.0721099959557514
Energy: 2.2781572991126824
Energy: 2.012689262193869
Energy: 2.2550854629764343
Energy: 1.3378990527875851
Energy: 2.255085462952095
Energy: 1.4454494909259745
Energy: 2.341091683381008
Energy: 2.0095498906590574
Energy: 2.3410916833621727
Energy: 2.0205871540734863
Energy: 2.266813472540001
Energy: 1.298212566476491
Energy: 2.266813472540001
Energy: 1.3613854056499257
Energy: 2.3166281703169034
Energy: 2.176439430806038
Energy: 2.3166281703169034
Energy: 1.9818406487485118
Energy: 2.2832687018320943
Energy: 1.345847363567032
Energy: 2.2832687018320943
Energy: 1.139746041426955
Energy: 2.4108415996943195
Energy: 2.103378751287539
Energy: 2.410841599693711
Energy: 1.8210743096574469
Energy: 2.2891736605635433
Energy: 1.1177189121990625
Energy: 2.2891736563820646
Energy: 1.103725847726541
Energy: 2.4157729822364122
Energy: 1.9369296402066323
Energy: 2.4157729822364122
Energy: 1.944669462792872
Energy: 2.399466362147016
Energy: 1.139672475390063
Energy: 2.3994663621457986
Energy: 1.1183410676869672
Energy: 2.281736581074144
Energy: 2.0094288669933063
Energy: 2.281736581074144
Energy: 1.7022584757497774
Energy: 2.396147452683553
Energy: 1.2556708116264839
Energy: 2.396147452683553
Energy: 1.3198322337393587
Energy: 2.312541822827896
Energy: 2.0069607134876057
Energy: 2.312541822827896
Energy: 1.6881350212477317
Energy: 2.4054533010326375
Energy: 1.4360184274915486
Energy: 2.405453301032029
Energy: 1.3511373424928939
Energy: 2.268708686503071
Energy: 2.028084300601398
Energy: 2.268708686503679
Energy: 2.015647191457118
Energy: 2.321248220132707
Energy: 1.579310227250273
Energy: 2.321248220132707
Energy: 1.351862653487839
Energy: 2.388278527268066
Energy: 2.052746465963433
Energy: 2.388278527268066
Energy: 1.7582925634448603
Energy: 2.3996868371720934
Energy: 1.4354662500239406
Energy: 2.3996868371714846
Energy: 1.2948696124657497
Energy: 2.377222097509454
Energy: 1.9529435190943576
Energy: 2.3772220975088456
Energy: 1.7016539023674733
Energy: 2.2993623241398473
Energy: 1.2546915169421593
Energy: 2.2993623242067525
Energy: 1.3871241495738216
Energy: 2.401796431787216
Energy: 1.8658210262721624
Energy: 2.401796431787824
Energy: 1.7999720226164582
Energy: 2.461705053882459
Energy: 1.138384790099638
Energy: 2.461705053882459
Energy: 1.2169334330929023
Energy: 2.3399777173807776
Energy: 1.8245314741426022
Energy: 2.3399777173807776
Energy: 1.8017250942417498
Energy: 2.406336477171126
Energy: 1.1136414237161525
Energy: 2.406336477171126
Energy: 1.3222167821930553
Energy: 2.5932684588153716
Energy: 1.8146229841312018
Energy: 2.593268458817806
Energy: 1.8989986926377431
Energy: 2.353078359810696
Energy: 1.1083407198029496
Energy: 2.353078359807653
Energy: 1.336228493335526
Energy: 2.4481791602086886
Energy: 1.6977243979234726
Energy: 2.448179160211731
Energy: 1.9415960094957083
Energy: 2.27044157102428
Energy: 1.2487996827401178
Energy: 2.2704415710565296
Energy: 1.614910649575561
Energy: 2.5447814016888963
Energy: 1.737396016040502
Energy: 2.5447814016895047
Energy: 2.005050269298262
Energy: 2.27873209503655
Energy: 1.2700967553977442
Energy: 2.2787320950371583
Energy: 1.6483811318440103
Energy: 2.3661434468614657
Energy: 1.9758616418076191
Energy: 2.3661434468626825
Energy: 1.965564612410816
Energy: 2.3506491153556857
Energy: 1.4725745393111866
Energy: 2.350649115361162
Energy: 1.672719440485389
Energy: 2.4826445029999586
Energy: 1.9581235167872237
Energy: 2.4826445029999586
Energy: 1.9665932824446655
Energy: 2.3626318958931396
Energy: 1.408767918056623
Energy: 2.3626318958961816
Energy: 1.3494246392013176
Energy: 2.417165671146998
Energy: 1.697139796538766
Energy: 2.41716567114639
Energy: 1.7981300769301682
Energy: 2.4160865665810163
Energy: 1.4806194925626004
Energy: 2.416086567340654
Energy: 1.3291227324814379
Energy: 2.592951469004571
Energy: 1.8744905031478012
Energy: 2.592951469004571
Energy: 1.825543444780023
Energy: 2.4606935903475096
Energy: 1.3073793083067937
Energy: 2.460693590354203
Energy: 1.1315218742203206
Energy: 2.529955313229997
Energy: 1.858616506772352
Energy: 2.529955313229997
Energy: 1.6909122623904727
Energy: 2.564335720937142
Energy: 1.4142036591316192
Energy: 2.5643357209791
Energy: 1.3246877687745402
Energy: 2.506158923547235
Energy: 2.001478545621565
Energy: 2.506158923547235
Energy: 1.7490951374135215
Energy: 2.543222120193228
Energy: 1.5265269133402772
Energy: 2.5432221201944443
Energy: 1.2708812221909878
Energy: 2.3562040503563133
Energy: 2.0074385570789643
Energy: 2.3562040443581203

minimum gb energy = 1.103725847726541 eV
minimum distance =  2.30502618020505 Angstroms
sigma value = 113


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

Energy: 0.020539821077739665
Energy: 2.353597468678199
Energy: 1.6750333861472728
Energy: 2.353597468678199
Energy: 1.3641405104575066
Energy: 2.1971081633156624
Energy: 0.4336585086868583
Energy: 2.1971081633156624
Energy: 0.020539821077739665
Energy: 2.353597468678199
Energy: 2.1384307068776396
Energy: 2.353597468678199
Energy: 1.3641405104575066
Energy: 2.1971081633156624
Energy: 0.4336585086868583
Energy: 2.1971081633156624
Energy: 0.020539821077271897
Energy: 2.353597468678199
Energy: 3.609922016466867
Energy: 2.353597468678199
Energy: 1.3641405104575066
Energy: 2.1971081633151943
Energy: 0.4336585086868583
Energy: 2.1971081633151943

minimum gb energy = 0.020539821077271897 eV
minimum distance =  2.45914921942029 Angstroms
sigma value = 1