Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535584408941
mass=95.95
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: 0.01740506442441855
Energy: 0.01763466379142679
Energy: 8.116163481130723
Energy: 0.01763466379142679
Energy: 0.01763466379142679
Energy: 0.01828679345472856
Energy: 1.4263149217645554
Energy: 0.01828679345472856
Energy: 8.20304197694154
Energy: 1.4263149217645554
Energy: 1.4262769034378173
Energy: 1.4263149217645554
Energy: 0.01763466379142679
Energy: 0.018286793453900687
Energy: 1.4263149217645554
Energy: 0.018286793453900687

minimum gb energy = 0.01740506442441855 eV
minimum distance =  2.71936009331825 Angstroms
sigma value = 1


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

Energy: 2.0970712150113133
Energy: 1.83656050622041
Energy: 13.583294382456762
Energy: 1.8365605062194057
Energy: 2.212357120305895
Energy: 1.68863261826007
Energy: 1.5890398988324033
Energy: 1.68863261826007
Energy: 2.3153660571754284
Energy: 1.521095568719966
Energy: 1.4704428061630768
Energy: 1.521095568718962
Energy: 1.9815596783186666
Energy: 1.7353038740374362
Energy: 1.520870512893939
Energy: 1.7353038740364322
Energy: 1.998568252785033
Energy: 1.7375499127983463
Energy: 2.0444747473014795
Energy: 1.7375499128003542
Energy: 2.1691576122770537
Energy: 1.677108190489822
Energy: 1.4552552078422258
Energy: 1.677108190488818
Energy: 1.704605272145738
Energy: 1.7273591767421805
Energy: 1.455140204068205
Energy: 1.7273591767421805
Energy: 1.4581974224074747
Energy: 1.6171139930958662
Energy: 2.0034121961587315
Energy: 1.6171139930958662
Energy: 1.7039359977697004
Energy: 1.7256746310722715
Energy: 1.9347366073908574
Energy: 1.7256746310722715
Energy: 2.289474026675784
Energy: 1.7632352664476953
Energy: 1.7257505839648584
Energy: 1.7632352664486994
Energy: 1.4754191865571407
Energy: 1.735002178774604
Energy: 1.84891349075191
Energy: 1.735002178774604
Energy: 1.4756216626764054
Energy: 1.4753807288698009
Energy: 2.757072260365302
Energy: 1.4753807288698009
Energy: 1.8231829752294868
Energy: 1.740425974192758
Energy: 1.9983747918063286
Energy: 1.740425974192758
Energy: 7.208308260763572
Energy: 1.734444020453294
Energy: 2.0088077185078643
Energy: 1.73444402045229
Energy: 1.5107624128571588
Energy: 1.6796585147778809
Energy: 2.163432632365366
Energy: 1.6796585147768768
Energy: 1.510668773470149
Energy: 1.679920354730878
Energy: 2.171345734973853
Energy: 1.679920354730878
Energy: 8.029824041632216
Energy: 1.7341135420148912
Energy: 2.01151650304018
Energy: 1.7341135420148912
Energy: 1.8249089015886961
Energy: 1.7365629384244503
Energy: 2.004118118676214
Energy: 1.7365629384244503
Energy: 1.4813742817304787
Energy: 1.4753127338501169
Energy: 2.8328059431778945
Energy: 1.4753127338501169
Energy: 1.475564164987395
Energy: 1.736224544808743
Energy: 1.7107521825129737
Energy: 1.736224544808743
Energy: 2.3197659015420893
Energy: 1.722277634475373
Energy: 1.7127630881303542
Energy: 1.7222776344743689
Energy: 1.7128741867425634
Energy: 1.684662306441047
Energy: 1.9347716475100298
Energy: 1.684662306442051
Energy: 1.5936846727673897
Energy: 1.6151624687374406
Energy: 1.7577588948856226
Energy: 1.6151624687364365
Energy: 1.9566311936372824
Energy: 1.7216551339421988
Energy: 1.4547933513779512
Energy: 1.7216551339421988
Energy: 2.1693539018870465
Energy: 1.6767613254624854
Energy: 1.455108436161402
Energy: 1.676761325461527
Energy: 1.998204392303574
Energy: 1.7339519448521525
Energy: 8.224821317848757
Energy: 1.7339519448531566
Energy: 1.9839932886546652
Energy: 1.7341626124900327
Energy: 1.5211712739142382
Energy: 1.7341626124920408
Energy: 2.4669939089741835
Energy: 1.5209954284787346
Energy: 1.4713514576384408
Energy: 1.5209954284797387
Energy: 2.2100728062335917
Energy: 1.6877650587254214
Energy: 1.5893694685433122
Energy: 1.6877650587244173
Energy: 2.0766517178642916
Energy: 1.7723426157687168
Energy: 13.415554880456485
Energy: 1.772342615767713
Energy: 2.183244459341708
Energy: 1.6882255548914322
Energy: 1.5889976906856818
Energy: 1.6882255548924363
Energy: 2.169049694524877
Energy: 1.6343950184612341
Energy: 1.4721003569122169
Energy: 1.6343950184612341
Energy: 1.9984294840046557
Energy: 1.7373657769331576
Energy: 1.5212282716929215
Energy: 1.7373657769321538

minimum gb energy = 1.4547933513779512 eV
minimum distance =  2.47517115655829 Angstroms
sigma value = 1


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

Energy: 2.204122904779747
Energy: 1.850463698396638
Energy: 14.887191667192594
Energy: 1.8504636983955451
Energy: 2.042617320095513
Energy: 1.793635924658804
Energy: 1.8340957882656093
Energy: 1.793635924658804
Energy: 2.0642855751773737
Energy: 1.5356463371935958
Energy: 1.5352498696346693
Energy: 1.5356463371935958
Energy: 1.4945881854803884
Energy: 1.796826368817147
Energy: 1.6727036900497472
Energy: 1.796826368817147
Energy: 1.4947312688716503
Energy: 1.7961603254935978
Energy: 2.3226486606792656
Energy: 1.7961603254935978
Energy: 2.064129000570903
Energy: 1.5120298241726666
Energy: 1.5113510195719069
Energy: 1.5120298241715218
Energy: 1.5125017721901133
Energy: 1.7926630660464815
Energy: 1.5112794333514419
Energy: 1.7926630660464815
Energy: 1.5114444407734127
Energy: 1.5116660987388373
Energy: 2.23102640105799
Energy: 1.5116660987388373
Energy: 1.5120523638711176
Energy: 1.6637965843308262
Energy: 2.0674356974170465
Energy: 1.6637965843308262
Energy: 14.450074822343954
Energy: 1.494983209487238
Energy: 1.4946798861823285
Energy: 1.494983209488383
Energy: 1.5354370303398033
Energy: 1.7906889118813643
Energy: 2.067526697121551
Energy: 1.7906889118802194
Energy: 1.6272403951426606
Energy: 1.6709914137502946
Energy: 2.657203209867158
Energy: 1.6709914137491497
Energy: 14.060436098444729
Energy: 1.7966855766551237
Energy: 2.1366780677839756
Energy: 1.7966855766551237
Energy: 13.813586404803697
Energy: 1.796702015325137
Energy: 2.137617505678276
Energy: 1.796702015325137
Energy: 1.6269139259266112
Energy: 1.6709791300722001
Energy: 2.656279296421759
Energy: 1.6709791300722001
Energy: 1.535399519174163
Energy: 1.7906399629154763
Energy: 2.0675370280908987
Energy: 1.7906399629154763
Energy: 14.530107136839062
Energy: 1.4949689627448273
Energy: 1.4946838525590738
Energy: 1.4949689627448273
Energy: 1.5122749028225975
Energy: 1.6637025337282145
Energy: 2.067667422955883
Energy: 1.6637025337293594
Energy: 1.5114354918659787
Energy: 1.5115905727754313
Energy: 2.231026401063714
Energy: 1.5115905727754313
Energy: 1.5123079668599988
Energy: 1.7926142635790303
Energy: 1.511406177810952
Energy: 1.7926142635790303
Energy: 2.0636501830505436
Energy: 1.512230198919013
Energy: 1.5115888386969423
Energy: 1.512230198919013
Energy: 1.4946979658693238
Energy: 1.7909179397721573
Energy: 2.322648660673542
Energy: 1.7909179397721573
Energy: 1.4946111836138654
Energy: 1.7965527978358518
Energy: 1.6727036900497472
Energy: 1.796552797834707
Energy: 2.064173799319907
Energy: 1.5356317734787621
Energy: 1.5353266317485574
Energy: 1.5356317734787621
Energy: 2.042708258899098
Energy: 1.7938979846427208
Energy: 1.834095788266754
Energy: 1.7938979846427208
Energy: 2.2041229047808915
Energy: 1.850463698396638
Energy: 14.856117865803425
Energy: 1.8504636983944005
Energy: 2.042617320095513
Energy: 1.7936359246576592
Energy: 1.8340957882656093
Energy: 1.793635924658804
Energy: 2.0642855751773737
Energy: 1.5356463371935958
Energy: 1.5352498696335244
Energy: 1.5356463371924511
Energy: 1.4945881854803884
Energy: 1.796826368817147
Energy: 1.672703690050892
Energy: 1.796826368817147

minimum gb energy = 1.4945881854803884 eV
minimum distance =  2.4826941022383 Angstroms
sigma value = 25


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

Energy: 2.0367560983464865
Energy: 2.036746881709066
Energy: 10.261704528123579
Energy: 2.036746881707735
Energy: 2.2686329493261312
Energy: 1.7698242669749547
Energy: 1.7985513723683402
Energy: 1.7698242669762854
Energy: 2.265971168928008
Energy: 1.6334536685388297
Energy: 1.606743535437107
Energy: 1.6334536685388297
Energy: 1.9721835540655264
Energy: 1.8024077612180436
Energy: 1.7990511898183528
Energy: 1.8024077612167129
Energy: 1.9528554037752923
Energy: 1.8024910479813745
Energy: 1.9984815633412418
Energy: 1.8024910479800438
Energy: 2.2484475855368573
Energy: 1.579095841454092
Energy: 1.5788869747633623
Energy: 1.579095841454092
Energy: 1.6170487337310413
Energy: 1.9213688322052014
Energy: 1.578988341891005
Energy: 1.9213688322052014
Energy: 1.5759847099042874
Energy: 1.6169497161376105
Energy: 2.634812639602873
Energy: 1.6169497161376105
Energy: 1.7207473014262475
Energy: 1.8652921510914775
Energy: 1.9578384852070359
Energy: 1.8652921510928082
Energy: 9.38839360547537
Energy: 1.9098034629399072
Energy: 1.9839658777386302
Energy: 1.9098034629119611
Energy: 1.647902267145831
Energy: 1.8652201678591298
Energy: 2.226673770476342
Energy: 1.8652201678591298
Energy: 1.6987765442643274
Energy: 1.6175985140940798
Energy: 2.222595489423796
Energy: 1.6175985140954108
Energy: 9.28864755635213
Energy: 1.8269292162347381
Energy: 1.9667973468581503
Energy: 1.8269292162347381
Energy: 1.7218702063932407
Energy: 1.8654466440948168
Energy: 1.9555039992376138
Energy: 1.865446644093486
Energy: 1.5847946780687945
Energy: 1.6174373446004942
Energy: 2.600967340453527
Energy: 1.6174373446004942
Energy: 1.6166794812125211
Energy: 1.803161275241855
Energy: 1.5794331604688534
Energy: 1.8031612752431858
Energy: 2.6705316666347403
Energy: 1.5790578181908768
Energy: 1.5788410209132122
Energy: 1.5790578181922075
Energy: 1.9287052849575466
Energy: 1.8027349076056987
Energy: 1.9977860041757247
Energy: 1.8027349076056987
Energy: 1.969909140635193
Energy: 1.8024263948193175
Energy: 1.7991065986995705
Energy: 1.8024263948193175
Energy: 1.9297660066814684
Energy: 1.5793648535854268
Energy: 1.6086491853597495
Energy: 1.5793648535854268
Energy: 2.2779647722597165
Energy: 1.7701859416462185
Energy: 1.6340759727345313
Energy: 1.7701859416462185
Energy: 2.0272408993769253
Energy: 1.9518707118285445
Energy: 9.147632940957548
Energy: 1.9518707118298753
Energy: 2.265518031501754
Energy: 1.895835946871429
Energy: 1.7994104933094746
Energy: 1.895835946871429
Energy: 2.4090612525536317
Energy: 1.6334802263821295
Energy: 1.6334529683375312
Energy: 1.6334802263834602
Energy: 1.9539149473700954
Energy: 1.8025306090636128
Energy: 1.6341161069065773
Energy: 1.8025306090636128

minimum gb energy = 1.5759847099042874 eV
minimum distance =  2.4319844438778 Angstroms
sigma value = 9


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

Energy: 1.6159793624429934
Energy: 1.6167476449694507
Energy: 17.823898727418946
Energy: 1.6167476449694507
Energy: 1.6155084543458695
Energy: 1.8345494962078637
Energy: 1.6208659843833144
Energy: 1.8345494962078637
Energy: 1.8026828100922678
Energy: 1.6794666806689755
Energy: 1.8029573363740012
Energy: 1.6794666806705632
Energy: 1.6199996135169297
Energy: 1.6199904520156994
Energy: 1.6220903364323978
Energy: 1.6199904520156994
Energy: 1.6204010816958825
Energy: 1.6212474394866034
Energy: 1.8013010073410152
Energy: 1.6212474394866034
Energy: 2.8130405146172928
Energy: 1.6201147932387527
Energy: 1.619622386601351
Energy: 1.6201147932387527
Energy: 1.8027176540750582
Energy: 1.6213480753301335
Energy: 1.6203484741251668
Energy: 1.6213480753301335
Energy: 1.8025791184479045
Energy: 1.8014397083955629
Energy: 2.3999780449284116
Energy: 1.8014397083955629
Energy: 17.39525772453815
Energy: 1.8347558537351034
Energy: 1.6155722432920632
Energy: 1.8347558537351034
Energy: 17.43319792956475
Energy: 1.6156714378936308
Energy: 1.6156241073426716
Energy: 1.6156714378936308
Energy: 1.802683255284025
Energy: 1.8343159102947624
Energy: 2.3995500456077927
Energy: 1.8343159102947624
Energy: 1.6789559022301481
Energy: 1.8540953017219532
Energy: 1.6208237771147254
Energy: 1.8540953017219532
Energy: 2.8130508887006527
Energy: 1.6203368177799735
Energy: 1.6197567356563254
Energy: 1.6203368177799735
Energy: 1.6200648751380917
Energy: 1.7264283426003866
Energy: 1.6206030707414698
Energy: 1.7264283426003866
Energy: 1.6197771533285863
Energy: 1.6202385254533973
Energy: 2.8130508887022407
Energy: 1.6202385254533973
Energy: 1.6201605382265183
Energy: 1.8543009218969486
Energy: 1.6790173315708672
Energy: 1.8543009218969486
Energy: 2.3995987996047567
Energy: 1.834379944414689
Energy: 1.8027089638081748
Energy: 1.8343799444131015
Energy: 1.6156576458852283
Energy: 1.615723470357951
Energy: 17.412852330395506
Energy: 1.6157234703595387
Energy: 1.6155370394589514
Energy: 1.8352521133940927
Energy: 17.52372328353543
Energy: 1.8352521133940927
Energy: 2.4000288099833655
Energy: 1.801474479453642
Energy: 1.8028558975734754
Energy: 1.801474479453642
Energy: 1.6204269116421552
Energy: 1.621294481052271
Energy: 1.8026040615159504
Energy: 1.621294481052271

minimum gb energy = 1.6155084543458695 eV
minimum distance =  2.48400291115061 Angstroms
sigma value = 25


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

Energy: 1.7800481353109747
Energy: 2.283389566069321
Energy: 13.16955208874597
Energy: 2.283389566069321
Energy: 2.2725261027481194
Energy: 1.8142982995994958
Energy: 1.807771357624438
Energy: 1.8142982995994958
Energy: 2.0816530910664652
Energy: 1.745943472896605
Energy: 1.749073296967212
Energy: 1.7459434728985683
Energy: 1.6784299551175783
Energy: 1.761618846637138
Energy: 1.7454780927944982
Energy: 1.761618846637138
Energy: 1.9181765387999463
Energy: 1.8748810073290538
Energy: 2.3556517011393296
Energy: 1.8748810073290538
Energy: 12.398361848549103
Energy: 1.7092752833480722
Energy: 1.714024823179731
Energy: 1.7092752833480722
Energy: 1.9425120169690249
Energy: 1.7618888655224274
Energy: 1.7096648408742747
Energy: 1.7618888653203009
Energy: 1.927328640584539
Energy: 1.8467085115472441
Energy: 2.356647198856927
Energy: 1.8467085115472441
Energy: 1.9424790317650937
Energy: 1.710203466705913
Energy: 1.709021222667034
Energy: 1.710203466705913
Energy: 2.066984384816419
Energy: 1.7110791019295493
Energy: 1.7102350188831201
Energy: 1.7110791019295493
Energy: 1.7595715375474579
Energy: 1.7614847230346007
Energy: 2.3073703097754046
Energy: 1.7614847230346007
Energy: 1.7597618048439811
Energy: 1.7099726002480131
Energy: 1.7455045996696419
Energy: 1.7099726002460498
Energy: 2.1574360333308062
Energy: 1.7459997608634308
Energy: 1.7488411820531373
Energy: 1.7459997608634308
Energy: 2.264880043177688
Energy: 1.9067853780682
Energy: 12.49398711836382
Energy: 1.9067853780682
Energy: 2.049415958803618
Energy: 2.0531781554482746
Energy: 12.453230757177561
Energy: 2.0531781554482746
Energy: 2.286354377710433
Energy: 1.6970370149529002
Energy: 1.7452936768140574
Energy: 1.6970370149548635
Energy: 1.7602203489228148
Energy: 1.7100360769775516
Energy: 1.749081397079034
Energy: 1.7100360769814331

minimum gb energy = 1.6784299551175783 eV
minimum distance =  2.46225082191651 Angstroms
sigma value = 17


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

Energy: 2.1097192147012858
Energy: 2.086116748079845
Energy: 14.475906734000304
Energy: 2.086116748079845
Energy: 2.1526383575025707
Energy: 1.807671838085862
Energy: 1.8594070432975223
Energy: 1.807671838085862
Energy: 2.007163040534404
Energy: 1.736567462841653
Energy: 1.6962794001828783
Energy: 1.736567462841653
Energy: 1.7189335923487759
Energy: 1.7186598771035804
Energy: 1.8596853602229788
Energy: 1.7186598771024684
Energy: 1.752476195020972
Energy: 1.768492894120745
Energy: 2.091471318494984
Energy: 1.7684928941196336
Energy: 9.195821551593742
Energy: 1.8861597052407517
Energy: 1.7655928468165007
Energy: 1.8861597052385277
Energy: 2.0648577828208245
Energy: 1.719419851719663
Energy: 2.0499378203755203
Energy: 1.7194198517285582
Energy: 1.7705995663476177
Energy: 1.6993036621794608
Energy: 2.182897007185541
Energy: 1.6993036621805726
Energy: 1.7701420383553832
Energy: 1.7482692738763177
Energy: 1.697115889602708
Energy: 1.7482692738752057
Energy: 2.1830580613570514
Energy: 1.6761806236129215
Energy: 1.8543442460792938
Energy: 1.676180623608474
Energy: 1.7446840247362503
Energy: 1.7424704855785809
Energy: 8.33866875881393
Energy: 1.7424704855819164
Energy: 1.7397781233452223
Energy: 1.7468318232445497
Energy: 1.9591453171382525
Energy: 1.7468318232445497
Energy: 2.2567306973318604
Energy: 1.7638156047546845
Energy: 1.801257641130049
Energy: 1.7638156047546845
Energy: 1.7540944049276663
Energy: 1.744983685299067
Energy: 1.9001560658425933
Energy: 1.744983685299067
Energy: 1.7382382748085747
Energy: 1.8563650600134343
Energy: 2.305797081794066
Energy: 1.856365060014546
Energy: 2.188253464058653
Energy: 1.7494670913742358
Energy: 1.6939879875760009
Energy: 1.7494670913742358
Energy: 1.788464941477594
Energy: 1.8439867903506353
Energy: 1.749206103857958
Energy: 1.843986790349523
Energy: 1.7725161541465662
Energy: 1.7885036732482555
Energy: 2.2694803793283604
Energy: 1.7885036732471435
Energy: 8.230605458753182
Energy: 1.6745156061690556
Energy: 1.9166027002991513
Energy: 1.6745156061690556
Energy: 2.4038868294096893
Energy: 1.8425847722885755
Energy: 2.058327811004018
Energy: 1.8425847722885755
Energy: 1.6993592540517666
Energy: 1.7879891984112033
Energy: 2.1397674642449793
Energy: 1.7879891984100917
Energy: 1.698643732654431
Energy: 1.8050195052152307
Energy: 1.7358871095365327
Energy: 1.805019505216343
Energy: 2.115917550846584
Energy: 1.7360916182174382
Energy: 1.7358897516974963
Energy: 1.7360916182174382
Energy: 2.1062012690429595
Energy: 1.718382172074648
Energy: 8.50502101103831
Energy: 1.7183821720702004
Energy: 2.1197707883778207
Energy: 1.7166667832858293
Energy: 8.410278027569507
Energy: 1.7166667832869413
Energy: 2.114184687687264
Energy: 1.7359967279553952
Energy: 1.7362106446339503
Energy: 1.7359967279531714
Energy: 1.6974741431939857
Energy: 1.7487454378133391
Energy: 1.7360657967912514
Energy: 1.7487454378155631
Energy: 1.699075302679045
Energy: 1.6986630880593259
Energy: 2.1554333723570607
Energy: 1.698663088058214
Energy: 2.155944731172397
Energy: 1.8590441755573246
Energy: 2.062796096046063
Energy: 1.8590441755562126
Energy: 8.316418755382143
Energy: 1.6745824465982373
Energy: 1.7642421551856982
Energy: 1.674582446599349

minimum gb energy = 1.6745156061690556 eV
minimum distance =  2.47320636631676 Angstroms
sigma value = 53


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

Energy: 1.509739031323827
Energy: 1.5395720936787631
Energy: 6.3006856686763495
Energy: 1.5395720936787631
Energy: 1.8655000530363515
Energy: 1.587293369515727
Energy: 1.8653471028038882
Energy: 1.587293369515727
Energy: 2.5374460022998755
Energy: 1.8901380992952623
Energy: 2.1490641845149745
Energy: 1.8901380992952623
Energy: 2.148989459747948
Energy: 1.890193606103195
Energy: 2.537573458078114
Energy: 1.890193606103195
Energy: 1.865364410450007
Energy: 1.5875000082698096
Energy: 1.8655935254200096
Energy: 1.5875000082698096
Energy: 4.84675716780521
Energy: 1.5395720936787631
Energy: 1.509739031323827
Energy: 1.5395720936787631
Energy: 1.8653471028038882
Energy: 1.587293369515727
Energy: 1.8655000530337917
Energy: 1.587293369515727
Energy: 2.1490641845149745
Energy: 1.8901380992952623
Energy: 2.5374460022998755
Energy: 1.8901380992952623
Energy: 2.537573458078114
Energy: 1.890193606103195
Energy: 2.148989459747948
Energy: 1.890193606103195
Energy: 1.8655935254200096
Energy: 1.5875000082698096
Energy: 1.865364410450007
Energy: 1.5875000082698096
Energy: 1.509739031323827
Energy: 1.5395720936787631
Energy: 6.143515329223192
Energy: 1.5395720936787631
Energy: 1.8655000530337917
Energy: 1.587293369515727
Energy: 1.8653471028038882
Energy: 1.5872933695131672
Energy: 2.5374460022998755
Energy: 1.8901380992952623
Energy: 2.1490641845149745
Energy: 1.8901380992952623

minimum gb energy = 1.509739031323827 eV
minimum distance =  2.45793623332516 Angstroms
sigma value = 9


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

Energy: 1.9951032388132621
Energy: 2.0080953009972093
Energy: 12.879328696177872
Energy: 2.008095300996262
Energy: 2.2946423927666864
Energy: 2.012616052782979
Energy: 2.2210169929446955
Energy: 2.0126160527820316
Energy: 1.8781696139900268
Energy: 1.769942245874274
Energy: 1.768713296689228
Energy: 1.7699422458733265
Energy: 1.8517868483756919
Energy: 1.7984113523893623
Energy: 1.98620123373346
Energy: 1.79841135238652
Energy: 2.007414607345498
Energy: 1.7635125057999108
Energy: 2.2484319047434305
Energy: 1.7635125057989636
Energy: 7.6017354846674605
Energy: 1.8982476512371251
Energy: 1.929794438727761
Energy: 1.8982476512371251
Energy: 1.9254131860441661
Energy: 1.8401391123217943
Energy: 2.3770784291161537
Energy: 1.840139112323689
Energy: 1.7626068994246897
Energy: 1.8294050112451468
Energy: 1.945298766135206
Energy: 1.8294050112451468
Energy: 2.0487692531525665
Energy: 1.7694516351581857
Energy: 1.87899262195172
Energy: 1.7694516351600806
Energy: 1.9126123120190563
Energy: 1.7723353395990888
Energy: 2.0500136610652815
Energy: 1.7723353396000363
Energy: 1.8005702846776397
Energy: 1.8856959236156015
Energy: 7.958221976497596
Energy: 1.885695923616549
Energy: 2.427976935934412
Energy: 1.7804885436795088
Energy: 1.8785789736267344
Energy: 1.7804885436908782
Energy: 1.9213597597862364
Energy: 1.837174807233063
Energy: 1.7897834782345265
Energy: 1.8371748072349574
Energy: 1.962787932002331
Energy: 1.858309977925311
Energy: 1.9263838754691887
Energy: 1.8583099779262584
Energy: 2.0108817681169087
Energy: 1.8343485110265625
Energy: 1.7833468536138446
Energy: 1.8343485110256148
Energy: 2.323933927445527
Energy: 1.8210223540290866
Energy: 1.7960657833564688
Energy: 1.8210223540281392
Energy: 1.9162522787017175
Energy: 1.8884996090118351
Energy: 2.4804002748939364
Energy: 1.8884996090127821
Energy: 1.8062621746831908
Energy: 1.8778054678640106
Energy: 7.38007615030507
Energy: 1.8778054678630631
Energy: 2.3070425572256714
Energy: 1.8191925936386901
Energy: 1.9495542623184186
Energy: 1.8191925936405846
Energy: 1.7955345423435176
Energy: 1.8286441658225046
Energy: 1.8843437874493876
Energy: 1.828644165821557
Energy: 1.8420712422789307
Energy: 1.8324106838081877
Energy: 2.254006312430571
Energy: 1.8324106837987133
Energy: 2.3847370685984233
Energy: 1.7639772091239925
Energy: 1.935592113425441
Energy: 1.7639772091239925
Energy: 7.475323688806263
Energy: 1.8926529193614976
Energy: 1.9216719479844016
Energy: 1.89265291936055
Energy: 1.8891307317305792
Energy: 1.8540106347160732
Energy: 2.3996737758332607
Energy: 1.8540106347160732
Energy: 1.8657379723621317
Energy: 1.8322043507424466
Energy: 1.7702836983929178
Energy: 1.8322043507320251
Energy: 2.305231420888124
Energy: 1.9290590848892877
Energy: 1.8585629806854882
Energy: 1.9290590848892877
Energy: 2.0900508667322786
Energy: 1.7840604007220093
Energy: 8.14597744081682
Energy: 1.784060400721062
Energy: 1.954121582621465
Energy: 1.783608534569355
Energy: 8.047974357803103
Energy: 1.783608534573145
Energy: 2.271829165483899
Energy: 1.9285595660700032
Energy: 1.8536109602349644
Energy: 1.9285595660681083
Energy: 1.8518515317846738
Energy: 1.8643119691613843
Energy: 1.7696252299019306
Energy: 1.864311969160437
Energy: 1.8865316578835394
Energy: 1.8761776486599682
Energy: 2.268325546420722
Energy: 1.8761776486599682
Energy: 7.637856919164592
Energy: 1.768429785478926
Energy: 1.9246682513225493
Energy: 1.7684297854798732
Energy: 2.4803667109853667
Energy: 1.7631163838262727
Energy: 1.9291391690878401
Energy: 1.7631163868983142
Energy: 1.8423218407525355
Energy: 1.8989566377294573
Energy: 2.5231284367625357
Energy: 1.8989566377304048
Energy: 1.8151338996196826
Energy: 1.828233946059084
Energy: 1.876082338579419
Energy: 1.8282339460600314

minimum gb energy = 1.7626068994246897 eV
minimum distance =  2.42419032430149 Angstroms
sigma value = 73


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

Energy: 2.1076279994857425
Energy: 1.9760377835571787
Energy: 10.693663520753878
Energy: 1.976037783558682
Energy: 2.1963410130279546
Energy: 1.9074806470712846
Energy: 2.1983452585175227
Energy: 1.9074806470712846
Energy: 1.9773147632181203
Energy: 1.883225806664282
Energy: 1.8082689891848982
Energy: 1.8832258066657852
Energy: 1.858718719338706
Energy: 1.8220423525357692
Energy: 2.128449705716239
Energy: 1.8220423525342662
Energy: 2.2000654438867318
Energy: 1.8180654377457395
Energy: 2.008977174620617
Energy: 1.8180654377472425
Energy: 10.224667190266347
Energy: 1.9429473411398706
Energy: 1.843144580125153
Energy: 1.9429473411398706
Energy: 1.9488413706434065
Energy: 1.8716368237376464
Energy: 2.232379774431247
Energy: 1.8716368237361432
Energy: 1.8253250562919727
Energy: 1.8229018472031369
Energy: 1.9875606819400697
Energy: 1.8229018445767857
Energy: 2.296852333712026
Energy: 1.884119841936795
Energy: 2.1205074777775397
Energy: 1.8841198419352918
Energy: 1.8191324212017335
Energy: 1.912008735499037
Energy: 2.0882634116580365
Energy: 1.912008735499037
Energy: 1.8176874225970285
Energy: 1.8258082969350375
Energy: 2.758456963539647
Energy: 1.8258082969350375
Energy: 2.3684112444711123
Energy: 1.9499829171975338
Energy: 2.009219435688753
Energy: 1.9499829171975338
Energy: 9.884796788406387
Energy: 1.9431943912768903
Energy: 1.8431494224286045
Energy: 1.9431943912768903
Energy: 1.9881787877585062
Energy: 1.8799583761350125
Energy: 2.4966571984338617
Energy: 1.8799583761350125
Energy: 1.857443901045978
Energy: 1.823810654567744
Energy: 1.830759000555173
Energy: 1.823810654567744
Energy: 2.2979225852454497
Energy: 1.9650678382507758
Energy: 1.8930872372831384
Energy: 1.9650678382507758
Energy: 2.0232960852850947
Energy: 1.9736485489516378
Energy: 10.300440313161257
Energy: 1.9736485489516378
Energy: 2.022145650879072
Energy: 1.9555148598636267
Energy: 10.38932549533383
Energy: 1.9555148598636267
Energy: 2.374458220421577
Energy: 1.963080482112936
Energy: 1.9727763798340816
Energy: 1.9630804821144392
Energy: 1.856397648388551
Energy: 1.9287858935260966
Energy: 1.8084576882943117
Energy: 1.9287858935260966
Energy: 1.9775378153502556
Energy: 1.9187887063055011
Energy: 2.5580598758650424
Energy: 1.9187887063055011
Energy: 10.002841407449864
Energy: 1.9309637580163754
Energy: 1.8385286201748314
Energy: 1.9309637580163754

minimum gb energy = 1.8082689891848982 eV
minimum distance =  2.43095182401175 Angstroms
sigma value = 7


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

Energy: 2.2336822532632343
Energy: 2.012081361051023
Energy: 13.695920244762156
Energy: 2.012081361051023
Energy: 2.256793633780252
Energy: 1.9769471263223337
Energy: 1.9513471153574062
Energy: 1.9769471263233969
Energy: 1.9472035457340242
Energy: 1.892556259520157
Energy: 1.8943532079032226
Energy: 1.892556259520157
Energy: 1.9511128991743498
Energy: 1.84712539963359
Energy: 1.9558185168345663
Energy: 1.84712539963359
Energy: 2.086788425211977
Energy: 1.8907173711825227
Energy: 1.8432010097247815
Energy: 1.89071737118146
Energy: 13.1465534055338
Energy: 1.8474449468255805
Energy: 1.8533933764511292
Energy: 1.8474449468245178
Energy: 1.9119460223728133
Energy: 1.9498642116226617
Energy: 2.309584491577469
Energy: 1.9498642116226617
Energy: 1.8529214533586496
Energy: 1.8472492299573517
Energy: 13.166501363440494
Energy: 1.8472492299562888
Energy: 2.318368049851214
Energy: 1.9992081196825333
Energy: 1.9500793667643384
Energy: 1.9992081196835962
Energy: 1.8871561513534874
Energy: 1.8470036599122763
Energy: 1.9508096300068025
Energy: 1.8470036599101505
Energy: 1.8935390153609468
Energy: 1.9802032022853517
Energy: 2.104472385196227
Energy: 1.9802032022842886
Energy: 13.53413275645396
Energy: 1.9825890956684766
Energy: 2.0915578566222353
Energy: 1.9825890956684766
Energy: 13.541338785884113
Energy: 1.9689938079427611
Energy: 2.100156778160794
Energy: 1.9689938079427611
Energy: 1.8885698958028798
Energy: 1.9794358705793136
Energy: 2.4368219856404005
Energy: 1.9794358705793136
Energy: 1.8929541771660756
Energy: 1.966107597029412
Energy: 1.9459463813562732
Energy: 1.966107597029412
Energy: 2.3955725758584516
Energy: 2.131393843219649
Energy: 1.9456835228143416
Energy: 2.131393843219649
Energy: 1.8457470571033587
Energy: 1.843040802375234
Energy: 2.0855990846495334
Energy: 1.8430408023741716
Energy: 1.8410402886485877
Energy: 2.021157119497153
Energy: 2.3055204808759893
Energy: 2.0211571194960904
Energy: 2.682836989724424
Energy: 1.8451284146392215
Energy: 1.8447299165813578
Energy: 1.8451284146392215
Energy: 2.0897286491980034
Energy: 1.8925245104651816
Energy: 1.8416441695268884
Energy: 1.8925245104641188
Energy: 1.9463375892162333
Energy: 2.0040198496146893
Energy: 1.948072033347723
Energy: 2.0040198496146893
Energy: 1.946544171864043
Energy: 1.8937993161126263
Energy: 1.9044428977277557
Energy: 1.8937993161136895
Energy: 2.256027179730567
Energy: 1.9126857590007615
Energy: 1.9458541961415554
Energy: 1.9126857589051496
Energy: 2.0929087886092255
Energy: 2.0181568201193794
Energy: 13.783365943913202
Energy: 2.0181568201193794
Energy: 2.0981173405216738
Energy: 1.978249153960058
Energy: 1.9469258050780776
Energy: 1.978249153961121
Energy: 2.11084781671082
Energy: 1.896556851735693
Energy: 1.8868106004811882
Energy: 1.8965568516996028
Energy: 1.946071174924755
Energy: 1.8461731363213445
Energy: 1.8874878081353612
Energy: 1.8461731363213445
Energy: 2.0914572346851728
Energy: 1.889073376934947
Energy: 2.31536535362429
Energy: 1.889073376934947
Energy: 13.25041242136633
Energy: 1.8460387796320483
Energy: 1.8470828822982936
Energy: 1.8460387796299225
Energy: 2.3074319171188393
Energy: 1.9978105782873938
Energy: 2.306896090363678
Energy: 1.9978105782873938
Energy: 1.8469673078926268
Energy: 1.8456411448751902
Energy: 13.060031965952616
Energy: 1.8456411448762529

minimum gb energy = 1.8410402886485877 eV
minimum distance =  2.43200817829561 Angstroms
sigma value = 29


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

Energy: 1.7935953169705523
Energy: 2.0938849011565357
Energy: 18.943636890920324
Energy: 2.093884901157276
Energy: 2.1842441586978616
Energy: 1.8401266726705936
Energy: 1.8552302117892223
Energy: 1.8401266726702232
Energy: 2.2671243058515516
Energy: 1.8144447984233638
Energy: 1.8139782214306928
Energy: 1.8144447984226233
Energy: 2.4062180535975006
Energy: 1.854142958406171
Energy: 1.8113420042290211
Energy: 1.854142958406171
Energy: 2.561849403002944
Energy: 1.81390492171529
Energy: 1.8101416964324624
Energy: 1.8139049217138503
Energy: 2.29686362174191
Energy: 1.811259813192726
Energy: 1.8102654891707286
Energy: 1.8112598131919855
Energy: 1.9789145877937508
Energy: 1.810153327237529
Energy: 2.1310421274407774
Energy: 1.810153327237529
Energy: 1.793112112424492
Energy: 1.8144950664948458
Energy: 18.953821821032253
Energy: 1.8144950664948458
Energy: 2.3395747055087095
Energy: 2.0135523137825566
Energy: 2.0033328283717085
Energy: 2.0135523137793068

minimum gb energy = 1.793112112424492 eV
minimum distance =  2.4741019980544 Angstroms
sigma value = 5


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

Energy: 2.136094066958059
Energy: 1.9934528110304544
Energy: 12.968323960116802
Energy: 1.9934528110304544
Energy: 2.2891324682226393
Energy: 1.9580384251312588
Energy: 2.0092632911912838
Energy: 1.958038425132263
Energy: 2.0605350953062063
Energy: 1.9817115744025584
Energy: 1.9711495123068878
Energy: 1.9817115744035623
Energy: 2.0540857564372335
Energy: 2.121484856880273
Energy: 2.099207044059784
Energy: 2.121484856879269
Energy: 1.9684109174907423
Energy: 1.970992105723135
Energy: 1.9395169454374495
Energy: 1.970992105723135
Energy: 2.194713971999786
Energy: 1.979114529925969
Energy: 1.9461565085234733
Energy: 1.979114529927977
Energy: 2.042427945970767
Energy: 1.9739455895844558
Energy: 2.1866405743762254
Energy: 1.9739455895834517
Energy: 2.0463386927790057
Energy: 1.9719978787946753
Energy: 2.3508454727317756
Energy: 1.9719978787956793
Energy: 2.4410799421131504
Energy: 1.9763275882110058
Energy: 2.054123362712509
Energy: 1.9763275882110058
Energy: 7.8649633031217965
Energy: 1.973225632745688
Energy: 2.0582064799912376
Energy: 1.9732256327466924
Energy: 1.946879507013681
Energy: 1.948959916452982
Energy: 2.261747449120197
Energy: 1.948959916451978
Energy: 1.948197244533124
Energy: 1.94899356256562
Energy: 2.005735620895251
Energy: 1.9489935625646162
Energy: 2.153039229810245
Energy: 2.2365088944266716
Energy: 2.0046980051161976
Energy: 2.2365088944246634
Energy: 1.9456409103885985
Energy: 1.957191281083332
Energy: 1.9946139299071768
Energy: 1.957191281083332
Energy: 1.970345517069293
Energy: 2.2146669704767796
Energy: 2.185322987959727
Energy: 2.2146669704787874
Energy: 7.7542513615044575
Energy: 1.9713641027944464
Energy: 2.138950271911489
Energy: 1.9713641027944464
Energy: 2.2872705230862302
Energy: 1.9367079785999743
Energy: 2.2257091918705925
Energy: 1.9367079785999743
Energy: 1.985168745223097
Energy: 1.9700001086020245
Energy: 7.531796110554661
Energy: 1.9700001086000165
Energy: 2.079911156833256
Energy: 1.962543739619841
Energy: 2.046889114087562
Energy: 1.9625437396208454
Energy: 1.9717310009507114
Energy: 1.9500145863034464
Energy: 1.9616838488429036
Energy: 1.950014586302442
Energy: 1.9694923562722026
Energy: 1.9968350776426296
Energy: 2.140381668033098
Energy: 1.9968350776406216
Energy: 2.1367018696590856
Energy: 1.9703930436117214
Energy: 1.9413045825945832
Energy: 1.9703930436127255
Energy: 2.0558155962847033
Energy: 1.9764273974877067
Energy: 1.9429670639422703
Energy: 1.9764273974877067
Energy: 2.2111097766130756
Energy: 1.9907141362622056
Energy: 8.235300931475885
Energy: 1.9907141362622056
Energy: 2.239102610434712
Energy: 1.9818120144231717
Energy: 8.24661023312156
Energy: 1.9818120144221676
Energy: 2.1602972611102937
Energy: 2.0003096073462396
Energy: 1.9417888868989361
Energy: 2.0003096073472433
Energy: 2.0445332769177176
Energy: 1.976301193208214
Energy: 1.9428878651233554
Energy: 1.9763011932062062
Energy: 2.0116088408158124
Energy: 2.1105552409423662
Energy: 2.2128049484657493
Energy: 2.1105552409433703
Energy: 1.9770968075940192
Energy: 1.9754173624262958
Energy: 1.9552201391879136
Energy: 1.9754173624252918
Energy: 2.1510260750884336
Energy: 2.2662429575961567
Energy: 2.0333478912441993
Energy: 2.2662429575971608
Energy: 2.0421947468974073
Energy: 1.971841930970861
Energy: 7.400652920349444
Energy: 1.971841930970861
Energy: 2.0987096383403174
Energy: 1.943990682844753
Energy: 2.24871126697806
Energy: 1.9439906828457574
Energy: 7.944742016865325
Energy: 1.971378586952089
Energy: 2.0548362524911368
Energy: 1.971378586952089

minimum gb energy = 1.9367079785999743 eV
minimum distance =  2.45212518304733 Angstroms
sigma value = 1


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

Energy: 1.9318687017276268
Energy: 1.8466640075517038
Energy: 15.593529908595718
Energy: 1.8466640075517038
Energy: 1.9788575293069386
Energy: 1.9579721184826493
Energy: 1.9524192103999314
Energy: 1.9579721184826493
Energy: 2.2123206527134527
Energy: 1.8755968874873292
Energy: 1.9778560388602902
Energy: 1.8755968874873292
Energy: 1.9527138219276066
Energy: 1.8774703068351548
Energy: 1.9988832651118495
Energy: 1.8774703068337666
Energy: 1.9395806435771368
Energy: 1.8855769175306072
Energy: 1.925846725438151
Energy: 1.8855769175306072
Energy: 1.9338685554555917
Energy: 2.1148817192054485
Energy: 1.9258356977600763
Energy: 2.1148817192054485
Energy: 1.9269136487919727
Energy: 1.8753006332066133
Energy: 2.2208573602821593
Energy: 1.8753006332066133
Energy: 1.926997967467301
Energy: 1.9045900236412896
Energy: 2.2150146289773742
Energy: 1.9045900236412896
Energy: 15.642989660685044
Energy: 1.8816006124534552
Energy: 1.894319629057154
Energy: 1.8816006124534552
Energy: 15.634348745323933
Energy: 1.8817207093206811
Energy: 1.8943388794756226
Energy: 1.8817207093206811
Energy: 1.926882425492662
Energy: 1.9047706068128087
Energy: 2.2150146289759864
Energy: 1.9047706068128087
Energy: 1.9268302226134637
Energy: 1.875320989969172
Energy: 2.2208573602807706
Energy: 1.875320989967784
Energy: 1.9339504507633278
Energy: 2.1150324653572334
Energy: 1.9259135117444302
Energy: 2.115032465358621
Energy: 1.93956125174369
Energy: 1.8459937061740088
Energy: 1.926027902696374
Energy: 1.8459937061726204
Energy: 1.9528810689427383
Energy: 1.8775011710479141
Energy: 1.9988402680605222
Energy: 1.8775011710479141
Energy: 2.212320652712065
Energy: 1.8756041814418751
Energy: 1.977573481040847
Energy: 1.8756041814418751
Energy: 1.9786903301396577
Energy: 1.9574544448175448
Energy: 1.952447719768468
Energy: 1.9574544448175448
Energy: 1.9318687017276268
Energy: 1.8466640075517038
Energy: 15.542017306606777
Energy: 1.8466640075517038
Energy: 1.9788575293069386
Energy: 1.9579721184826493
Energy: 1.9524192103999314
Energy: 1.9579721184840373
Energy: 2.212320652712065
Energy: 1.8755968874873292
Energy: 1.9778560388616782
Energy: 1.8755968874873292
Energy: 1.9527138219262181
Energy: 1.8774703068337666
Energy: 1.9988832651118495
Energy: 1.8774703068337666
Energy: 1.9395806435771368
Energy: 1.8855769175306072
Energy: 1.925846725438151
Energy: 1.8855769175306072
Energy: 1.9338685554555917
Energy: 2.1148817192054485
Energy: 1.9258356977600763
Energy: 2.1148817192054485
Energy: 1.9269136487919727
Energy: 1.8753006332080018
Energy: 2.2208573602821593
Energy: 1.8753006332080018

minimum gb energy = 1.8459937061726204 eV
minimum distance =  2.46639068926997 Angstroms
sigma value = 17


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

Energy: 2.1840605660521986
Energy: 1.94315374850081
Energy: 11.361021414221774
Energy: 1.9431537484999517
Energy: 2.2164319183570598
Energy: 2.1375597325004696
Energy: 2.0927856464851486
Energy: 2.1375597325004696
Energy: 6.701081148150135
Energy: 1.8792444891701723
Energy: 1.9345129144420052
Energy: 1.8792444891710305
Energy: 1.9408324051452224
Energy: 2.18018486788253
Energy: 2.070341732739099
Energy: 2.18018486788253
Energy: 1.9427547892344068
Energy: 1.8652351711479191
Energy: 1.9205439809768008
Energy: 1.8652351711479191
Energy: 2.0812980597365027
Energy: 2.0078018059363982
Energy: 1.9241309539441878
Energy: 2.0078018059389726
Energy: 1.9042516772362084
Energy: 1.872188443203144
Energy: 1.9539188683413202
Energy: 1.8721884432048597
Energy: 1.9057478364037288
Energy: 1.870873509518586
Energy: 2.0872197051684487
Energy: 1.870873509518586
Energy: 6.972180296549757
Energy: 1.8790445727262044
Energy: 2.1368114362752024
Energy: 1.8790445727253462
Energy: 6.87414718974158
Energy: 1.8852277859886977
Energy: 2.135337795638834
Energy: 1.8852277859904136
Energy: 1.998152957738507
Energy: 1.8791624836318501
Energy: 2.088216794343924
Energy: 1.8791624836301337
Energy: 1.9973105561379405
Energy: 1.8797610200820347
Energy: 2.020150766514001
Energy: 1.8797610200828925
Energy: 2.1244194637640548
Energy: 1.890045917514261
Energy: 1.9115896772418928
Energy: 1.8900459175151192
Energy: 1.9413918784405002
Energy: 1.8654174961923813
Energy: 1.9123600983322424
Energy: 1.8654174961923813
Energy: 1.9371506773413176
Energy: 1.903056345412017
Energy: 2.01224331626878
Energy: 1.903056345412017
Energy: 1.9400396309462984
Energy: 1.871269128555843
Energy: 1.9095612078658413
Energy: 1.8712691285567007
Energy: 2.1090844734978567
Energy: 1.8974138499132622
Energy: 2.029026761699719
Energy: 1.8974138499158364
Energy: 2.006516517332336
Energy: 1.8878345012611755
Energy: 6.732983752324105
Energy: 1.8878345012611755
Energy: 2.031347473781255
Energy: 1.9645967368405737
Energy: 2.133093080345333
Energy: 1.9645967368405737
Energy: 11.161268029929703
Energy: 1.9208493667133224
Energy: 2.0269362670173994
Energy: 1.9208493667133224
Energy: 2.0801706115344483
Energy: 2.1890995106078814
Energy: 2.1918942224657147
Energy: 2.1890995106070235
Energy: 1.9297226002931436
Energy: 1.865241498162159
Energy: 1.970592593214203
Energy: 1.8652414981613012
Energy: 2.053977539448617
Energy: 2.114700993360845
Energy: 1.9817700317406552
Energy: 2.1147009933591288
Energy: 1.8990911770860017
Energy: 1.8730503456186829
Energy: 1.9140906089934586
Energy: 1.8730503456186829
Energy: 1.9072462316291163
Energy: 1.9693171641069307
Energy: 2.1466786658079116
Energy: 1.9693171641043565
Energy: 1.9966473431168534
Energy: 1.8708946859812399
Energy: 1.9127238697998366
Energy: 1.8708946859786657
Energy: 2.0649478918240742
Energy: 1.865699586950937
Energy: 1.9921310683393556
Energy: 1.8656995869492212
Energy: 2.1536258443167577
Energy: 1.886193854751161
Energy: 11.280880994802777
Energy: 1.886193854751161
Energy: 2.1498745326769666
Energy: 1.8929087937511606
Energy: 6.927177782478864
Energy: 1.8929087937528766
Energy: 2.156601244940577
Energy: 1.8708112440161764
Energy: 1.9127823747310417
Energy: 1.8708112440187508
Energy: 2.047490600896954
Energy: 1.8664656798858268
Energy: 1.9918102669896742
Energy: 1.866465679887543
Energy: 1.8988637339217787
Energy: 1.9002650007622837
Energy: 2.0041432569374917
Energy: 1.9002650007579938
Energy: 1.9062437835637958
Energy: 1.8728659952892979
Energy: 1.9099404441682808
Energy: 1.8728659952892979
Energy: 2.0367938694578354
Energy: 1.8804764017931948
Energy: 1.9672777795572678
Energy: 1.880476401791479
Energy: 1.9177146691806741
Energy: 1.8675814586320278
Energy: 1.9848897457993901
Energy: 1.8675814586346018
Energy: 2.0948599348050636
Energy: 1.8880376347893586
Energy: 2.107805350491098
Energy: 1.8880376347910746
Energy: 6.445568771356003
Energy: 1.8776422046173245
Energy: 2.033821565524098
Energy: 1.8776422046147503
Energy: 2.100687163938677
Energy: 1.9656491567176009
Energy: 2.116590226796281
Energy: 1.9656491567158847

minimum gb energy = 1.8652351711479191 eV
minimum distance =  2.46223676783232 Angstroms
sigma value = 89


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

Energy: 2.020079125002435
Energy: 1.7571473676274334
Energy: 13.141845032631958
Energy: 1.7571473676274334
Energy: 1.9055067818690878
Energy: 2.002523175447124
Energy: 1.9369056122129857
Energy: 2.002523175447124
Energy: 13.367815435005854
Energy: 1.7345081196034176
Energy: 1.7915432749997438
Energy: 1.7345081196034176
Energy: 1.8357627397279206
Energy: 1.765257553956523
Energy: 2.014522622554315
Energy: 1.765257553956523
Energy: 1.8316462928311983
Energy: 1.7653742023972374
Energy: 1.8816179950569032
Energy: 1.7653742023972374
Energy: 1.9314273155982593
Energy: 2.141789764450794
Energy: 1.8807812999197682
Energy: 2.1417897644485486
Energy: 1.8017396150593137
Energy: 1.7355504683125722
Energy: 1.8825740676957894
Energy: 1.7355504683125722
Energy: 1.801740212491119
Energy: 1.7903936021761382
Energy: 2.2405350630506677
Energy: 1.7903936021761382
Energy: 2.108783112954043
Energy: 1.766019976285117
Energy: 1.7683607702326838
Energy: 1.7660199762873618
Energy: 2.047593949637353
Energy: 1.7665152905574109
Energy: 1.7687485918427386
Energy: 1.7665152905574109
Energy: 1.971049445077018
Energy: 1.735296999912897
Energy: 13.228883750238264
Energy: 1.735296999912897
Energy: 1.9663525104630224
Energy: 1.735273815226743
Energy: 13.206911175327573
Energy: 1.735273815226743
Energy: 13.435462510810364
Energy: 1.7659928221644123
Energy: 1.7684606178742763
Energy: 1.7659928221666576
Energy: 2.111255004650496
Energy: 1.7656030468984525
Energy: 1.769170387583635
Energy: 1.7656030468984525
Energy: 1.8028461652394285
Energy: 1.7655497253847543
Energy: 2.0715229661704906
Energy: 1.7655497253847543

minimum gb energy = 1.7345081196034176 eV
minimum distance =  2.47052912786171 Angstroms
sigma value = 13


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

Energy: 1.8420768062673734
Energy: 1.6943145856151356
Energy: 11.744711865965085
Energy: 1.6943145856151356
Energy: 1.8582835479138042
Energy: 1.6806226829722215
Energy: 1.866825594936907
Energy: 1.6806226829712805
Energy: 11.832224470868335
Energy: 1.6194460189621147
Energy: 1.7906195071593052
Energy: 1.6194460189611732
Energy: 1.8480809446060353
Energy: 1.7862176367424059
Energy: 1.8666846612193093
Energy: 1.7862176367433467
Energy: 1.7647064003428583
Energy: 1.635089884031157
Energy: 1.8363258389336783
Energy: 1.635089884031157
Energy: 1.866748293343848
Energy: 1.6363420248813911
Energy: 1.8043931584452046
Energy: 1.6363420248813911
Energy: 1.7801477452468963
Energy: 1.6214358941158182
Energy: 1.7908010513954415
Energy: 1.6214358941148774
Energy: 1.7651144391529963
Energy: 1.8496953371152525
Energy: 1.9047496825095722
Energy: 1.8496953371152525
Energy: 1.82454597088878
Energy: 1.6365879262084575
Energy: 1.7560086106130064
Energy: 1.6365879262093985
Energy: 1.9850527723543796
Energy: 1.6381478057645702
Energy: 1.787477369336297
Energy: 1.6381478057645702
Energy: 1.7624673897738599
Energy: 1.622082753307978
Energy: 11.948793125158655
Energy: 1.622082753307978
Energy: 1.7648904326096628
Energy: 1.621631049250439
Energy: 2.0386392503101933
Energy: 1.621631049250439
Energy: 12.074159435513595
Energy: 1.6795185491871345
Energy: 1.8144745939833136
Energy: 1.6795185491861935
Energy: 1.875733336873919
Energy: 1.6799611581778964
Energy: 1.9591912958708864
Energy: 1.6799611581778964
Energy: 1.7625100155305342
Energy: 1.6220268427413644
Energy: 12.073396479058863
Energy: 1.6220268427404236
Energy: 1.7652020563272424
Energy: 1.6211959878491455
Energy: 1.948593369379304
Energy: 1.6211959878482045
Energy: 1.8626310663504246
Energy: 1.6381922339471455
Energy: 1.7561914630895405
Energy: 1.6381922339471455
Energy: 1.8381875585376501
Energy: 1.6357837553589425
Energy: 1.7854329123474062
Energy: 1.6357837553580015
Energy: 1.7663687424024628
Energy: 1.6223262951231106
Energy: 1.7653767027639147
Energy: 1.6223262951221695
Energy: 1.765785144930043
Energy: 1.6229023742514084
Energy: 1.7664374509031917
Energy: 1.6229023742514084
Energy: 1.7858197013028996
Energy: 1.6359256006494853
Energy: 1.83797598085839
Energy: 1.6359256006494853
Energy: 1.7561857322528112
Energy: 1.6381861857498834
Energy: 1.8626310663523067
Energy: 1.6381861857498834
Energy: 1.9485933693811859
Energy: 1.6215310721374878
Energy: 1.764793770772649
Energy: 1.6215310721384286
Energy: 12.31838983568203
Energy: 1.6219982002904927
Energy: 1.7625512765505957
Energy: 1.621998200291434
Energy: 1.9598472968331628
Energy: 1.679960040444897
Energy: 1.8757613399525666
Energy: 1.6799600404467794
Energy: 1.8145371740415617
Energy: 1.6792964071152967
Energy: 11.872451759327479
Energy: 1.6792964071143557
Energy: 2.038660361658956
Energy: 1.6216066431435008
Energy: 1.7648774611496993
Energy: 1.6216066431435008
Energy: 11.954986642021018
Energy: 1.6219545263008783
Energy: 1.7623200884997121
Energy: 1.6219545263008783
Energy: 1.7874914429890534
Energy: 1.637554072108781
Energy: 1.9848880961125008
Energy: 1.637554072109722
Energy: 1.755691723077979
Energy: 1.6373460577248748
Energy: 1.8245455698809527
Energy: 1.6373460577258157
Energy: 1.9050439223982567
Energy: 1.849969488567823
Energy: 1.765123591786753
Energy: 1.8499694885668823
Energy: 1.7922780920662633
Energy: 1.6214007682228835
Energy: 1.7801078814443567
Energy: 1.6214007682238243
Energy: 1.8049948367525759
Energy: 1.6364897223880388
Energy: 1.8667651056536252
Energy: 1.6364897223880388
Energy: 1.836737448819089
Energy: 1.6355964465942372
Energy: 1.7646074154957703
Energy: 1.635596446595178
Energy: 1.8667118544633319
Energy: 1.7857871474301072
Energy: 1.848607911252042
Energy: 1.7857871474301072

minimum gb energy = 1.6194460189611732 eV
minimum distance =  2.45116507695279 Angstroms
sigma value = 37


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

Energy: 1.871326967263622
Energy: 1.5914030939398585
Energy: 10.029445970197521
Energy: 1.5914030939382393
Energy: 1.9573405734825515
Energy: 1.6215289721086514
Energy: 1.7729834925823889
Energy: 1.6215289721086514
Energy: 10.155133977337153
Energy: 1.5212657644590961
Energy: 1.7710532029503214
Energy: 1.5212657644590961
Energy: 1.8129741330777438
Energy: 1.7222289187868245
Energy: 1.772369992511026
Energy: 1.7222289187852058
Energy: 1.6903508551667004
Energy: 1.512915630117313
Energy: 1.8512589913044364
Energy: 1.512915630117313
Energy: 1.8131628913687305
Energy: 1.5441924233030766
Energy: 1.7798508635004764
Energy: 1.5441924233030766
Energy: 1.7160503852534177
Energy: 1.5211257519145138
Energy: 1.6878070990476093
Energy: 1.521125751912895
Energy: 1.791998325089106
Energy: 1.6547654571329606
Energy: 1.7713181211529954
Energy: 1.6547654571329606
Energy: 1.719204076723382
Energy: 1.5134361230371052
Energy: 1.677943802734626
Energy: 1.5134361230387243
Energy: 1.8083661189973594
Energy: 1.5419316194703652
Energy: 1.677276427168298
Energy: 1.5419316194687467
Energy: 1.6466453573666122
Energy: 1.5207369501689125
Energy: 1.7984865055600334
Energy: 1.5207369501689125
Energy: 1.6609025974063611
Energy: 1.5416508476889994
Energy: 1.9526063045785265
Energy: 1.5416508476889994
Energy: 10.001762541015045
Energy: 1.512732498626358
Energy: 1.7501230174740035
Energy: 1.512732498627977
Energy: 1.7820712839261896
Energy: 1.5144479179975134
Energy: 1.783368089894678
Energy: 1.5144479179958945
Energy: 1.80470357868667
Energy: 1.5835511357182848
Energy: 10.153885849206128
Energy: 1.5835511357182848
Energy: 1.82211441309464
Energy: 1.6088562720124033
Energy: 1.813829133332784
Energy: 1.6088562720124033
Energy: 10.300557691464153
Energy: 1.5128343231140309
Energy: 1.7495595204825936
Energy: 1.5128343231140309
Energy: 1.7741585959514408
Energy: 1.51453642648823
Energy: 1.7834625169437406
Energy: 1.51453642648823
Energy: 1.6472429525781693
Energy: 1.519921754882582
Energy: 1.8505973972050842
Energy: 1.519921754882582
Energy: 1.645475564988876
Energy: 1.5428045054153632
Energy: 1.8684087320586868
Energy: 1.5428045054153632

minimum gb energy = 1.512732498626358 eV
minimum distance =  2.49379726424334 Angstroms
sigma value = 25


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

Energy: 1.7777588239515378
Energy: 1.4462450492579668
Energy: 14.47938540815752
Energy: 1.4462450492567027
Energy: 1.7274358253856164
Energy: 1.5951556037893209
Energy: 1.7098589062987968
Energy: 1.5951556037893209
Energy: 8.550227425721472
Energy: 1.3869896187813666
Energy: 1.7138906300584398
Energy: 1.3869896187801025
Energy: 1.612376296839111
Energy: 1.4087517825105516
Energy: 1.7037834870670958
Energy: 1.4087517825092872
Energy: 1.6330153814597879
Energy: 1.3545086051843807
Energy: 8.367199900261255
Energy: 1.3545086051831163
Energy: 1.6118529563723227
Energy: 1.3820045844609274
Energy: 1.636387823076167
Energy: 1.3820045844596631
Energy: 1.595736816782087
Energy: 1.3525035414278301
Energy: 1.6101821495576571
Energy: 1.3525035414278301
Energy: 1.6275064700597053
Energy: 1.3640538770395871
Energy: 1.6624941975200598
Energy: 1.3640538770408515
Energy: 1.561988547850423
Energy: 1.3551939282745646
Energy: 1.5811161426027471
Energy: 1.3551939282733003
Energy: 1.642214740087067
Energy: 1.4246112389279257
Energy: 1.608777023417033
Energy: 1.4246112389279257
Energy: 1.560751811882984
Energy: 1.3518651669466029
Energy: 1.5824586977139736
Energy: 1.351865166947867
Energy: 1.5748042491081076
Energy: 1.3645340822017265
Energy: 1.6593314476232208
Energy: 1.3645340822004624
Energy: 1.5950498991610045
Energy: 1.3538449170869045
Energy: 1.5563658673308993
Energy: 1.3538449170869045
Energy: 1.7376260681146982
Energy: 1.3675274575542633
Energy: 1.547014799155315
Energy: 1.3675274575542633
Energy: 1.5820428031042761
Energy: 1.3515105081933867
Energy: 1.6647822515961421
Energy: 1.3515105081933867
Energy: 1.6117658371793522
Energy: 1.353755777902403
Energy: 1.7033244585676013
Energy: 1.3537557779036673
Energy: 8.533595916774912
Energy: 1.3843625967833402
Energy: 1.6430607804100306
Energy: 1.3843625967820758
Energy: 1.6646858590436988
Energy: 1.4746035624822198
Energy: 1.6338742010272391
Energy: 1.4746035624809555
Energy: 1.710899223939273
Energy: 1.4389761378404546
Energy: 7.771395067455146
Energy: 1.4389761378417187
Energy: 1.724370972660726
Energy: 1.443980927551436
Energy: 1.704292248502616
Energy: 1.443980927551436
Energy: 8.540983419447997
Energy: 1.3842501864438528
Energy: 1.643515133891265
Energy: 1.3842501864438528
Energy: 1.729612165341818
Energy: 1.4137518511112173
Energy: 1.6334443569077886
Energy: 1.4137518511124816
Energy: 1.582372000993735
Energy: 1.3514345062256834
Energy: 8.624967069867248
Energy: 1.3514345062244193
Energy: 1.64423664954118
Energy: 1.3525175820747184
Energy: 1.6314030623053324
Energy: 1.352517582075983
Energy: 1.5923125895186407
Energy: 1.353934083770466
Energy: 1.5566426468270715
Energy: 1.353934083770466
Energy: 1.6636288832794492
Energy: 1.3660118501066825
Energy: 1.6083354828895384
Energy: 1.3660118501054184

minimum gb energy = 1.3514345062244193 eV
minimum distance =  2.50171750159752 Angstroms
sigma value = 41


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

Energy: 1.7419568809547412
Energy: 1.3306925451541511
Energy: 12.796487425275794
Energy: 1.3306925451531144
Energy: 1.5940706131084519
Energy: 1.3608530954980465
Energy: 1.5697633456760864
Energy: 1.3608530954980465
Energy: 7.365270741653414
Energy: 1.2896839837934462
Energy: 1.6405097999070868
Energy: 1.28968398379241
Energy: 1.560148869846409
Energy: 1.523844314416993
Energy: 1.5696135913263525
Energy: 1.52384431441492
Energy: 1.605958775507974
Energy: 1.246459205798199
Energy: 7.2864466959667675
Energy: 1.246459205798199
Energy: 1.5597129762734336
Energy: 1.2723699798506725
Energy: 1.5069649307338628
Energy: 1.2723699798527452
Energy: 1.50968771016364
Energy: 1.2287551021116534
Energy: 1.5348914909892506
Energy: 1.22875510211269
Energy: 1.5222666162253147
Energy: 1.2744944858363865
Energy: 1.5065111890352987
Energy: 1.2744944858384593
Energy: 1.52455315224602
Energy: 1.2280336666688754
Energy: 1.4724626795857718
Energy: 1.2280336666688754
Energy: 1.556564125217325
Energy: 1.3088190653389955
Energy: 1.5226281536806663
Energy: 1.3088190653389955
Energy: 1.4782139382599273
Energy: 1.2290527523125827
Energy: 1.4716262942672231
Energy: 1.2290527523125827
Energy: 1.5006823409448613
Energy: 1.2740221879441103
Energy: 1.5461167331943295
Energy: 1.2740221879441103
Energy: 1.4854417434926037
Energy: 1.2284999033917876
Energy: 1.4645435309448727
Energy: 1.2284999033917876
Energy: 1.556985491367369
Energy: 1.2392499550046159
Energy: 1.5172067028461453
Energy: 1.2392499550056522
Energy: 1.511536424882576
Energy: 1.2293243343154179
Energy: 1.4700631636949597
Energy: 1.2293243343154179
Energy: 1.5024047446848943
Energy: 1.2381224896211276
Energy: 1.6104141461158985
Energy: 1.2381224896200915
Energy: 1.5091645179008415
Energy: 1.2286432725881056
Energy: 1.5220882706768644
Energy: 1.228643272589142
Energy: 1.5547491935486115
Energy: 1.2289800405224887
Energy: 1.5147561375217742
Energy: 1.2289800405235252
Energy: 1.537426856790036
Energy: 1.24623942075894
Energy: 7.411291690668472
Energy: 1.24623942075894
Energy: 1.5248212145460338
Energy: 1.4165548925046232
Energy: 1.655806357717654
Energy: 1.4165548925056597
Energy: 7.4627117648681836
Energy: 1.2838432990319695
Energy: 1.5738384133815349
Energy: 1.2838432990298967
Energy: 1.6647360370052107
Energy: 1.3385766210368217
Energy: 1.565262091362475
Energy: 1.3385766210368217
Energy: 1.6587578973947759
Energy: 1.325738277979896
Energy: 10.918796423245075
Energy: 1.3257382779819693
Energy: 1.5999606910627338
Energy: 1.3503850143789689
Energy: 1.6560970584248045
Energy: 1.3503850143779796
Energy: 7.530301956398559
Energy: 1.2835340219641782
Energy: 1.5738084539111805
Energy: 1.2835340219631421
Energy: 1.5556100778380517
Energy: 1.2837299819884658
Energy: 1.565085343122856
Energy: 1.2837299819895023
Energy: 1.5375596659893456
Energy: 1.2462961493263307
Energy: 6.420789647046613
Energy: 1.2462961493273672
Energy: 1.5245012202862271
Energy: 1.2661147805561954
Energy: 1.5706820188312292
Energy: 1.266114780557232
Energy: 1.5066873821118079
Energy: 1.2286383089595405
Energy: 1.521910417062682
Energy: 1.2286383089605768
Energy: 1.5246325565732717
Energy: 1.228641231417983
Energy: 1.5137181697060818
Energy: 1.2286412314169468
Energy: 1.511257987103386
Energy: 1.2292759259318922
Energy: 1.4696387561474327
Energy: 1.2292759259308559
Energy: 1.5053092228514096
Energy: 1.2364807372503999
Energy: 1.5422839187846376
Energy: 1.2364807372483269

minimum gb energy = 1.2280336666688754 eV
minimum distance =  2.51452567205544 Angstroms
sigma value = 15


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

Energy: 1.650737979463237
Energy: 1.2391912024291454
Energy: 10.921201284922233
Energy: 1.2391912024273892
Energy: 1.5498524891676257
Energy: 1.285191766597103
Energy: 1.530631991665401
Energy: 1.285191766595347
Energy: 11.041268491885317
Energy: 1.1954863292089213
Energy: 1.5827898074630684
Energy: 1.1954863292097995
Energy: 1.4669553590225504
Energy: 1.220681333763364
Energy: 1.5303485794121585
Energy: 1.22068133376073
Energy: 1.547972483617077
Energy: 1.170115180054382
Energy: 6.578933739650461
Energy: 1.1701151800578942
Energy: 1.466205705230156
Energy: 1.2046301904922987
Energy: 1.461703376410731
Energy: 1.2046301904949328
Energy: 6.602919074280937
Energy: 1.1422783746484741
Energy: 1.4784981500948835
Energy: 1.142278374647596
Energy: 1.4297500185176375
Energy: 1.185750928185559
Energy: 1.4611077407770696
Energy: 1.185750928184681
Energy: 1.4565387970459285
Energy: 1.1323202712870672
Energy: 1.3842735008380456
Energy: 1.1323202712844334
Energy: 1.4296668891244404
Energy: 1.1645003492016786
Energy: 1.4558736324817003
Energy: 1.1645003492008004
Energy: 1.3778973133772254
Energy: 1.1323309804896433
Energy: 1.407117441500189
Energy: 1.1323309804922772
Energy: 1.440229978706254
Energy: 1.1862414160498682
Energy: 1.5051660435923897
Energy: 1.1862414160498682
Energy: 1.4013897472355736
Energy: 1.132409143688041
Energy: 1.3692312692511643
Energy: 1.132409143688041
Energy: 1.4782678708882262
Energy: 1.160385585619656
Energy: 1.4224546659318504
Energy: 1.1603855856179
Energy: 1.392003371392324
Energy: 1.132380358810895
Energy: 1.3723873158424167
Energy: 1.132380358811773
Energy: 1.4354226965673265
Energy: 1.1598658955572807
Energy: 1.481351787302949
Energy: 1.1598658955590366
Energy: 1.381383392108196
Energy: 1.13257705798889
Energy: 1.3974363292390404
Energy: 1.1325770579897683
Energy: 1.5135020940576636
Energy: 1.139616468195408
Energy: 1.4257242205149618
Energy: 1.139616468195408
Energy: 1.4452709991443002
Energy: 1.132252069892999
Energy: 1.3833719539492173
Energy: 1.132252069893877
Energy: 1.4475793843205627
Energy: 1.1645339822495369
Energy: 1.4570444625025583
Energy: 1.1645339822512926
Energy: 1.4083083100314764
Energy: 1.1426245652397966
Energy: 1.465737722432814
Energy: 1.1426245652424305
Energy: 1.5160155048091204
Energy: 1.3052920823504817
Energy: 1.4406841607079466
Energy: 1.3052920823513596
Energy: 1.4800019556544783
Energy: 1.1694213436070513
Energy: 6.366454078818585
Energy: 1.1694213436070513
Energy: 1.4750457776023072
Energy: 1.3631387683661182
Energy: 1.5216773412493605
Energy: 1.363138768367874
Energy: 8.899981705880098
Energy: 1.1947629495600056
Energy: 1.5167715078827153
Energy: 1.1947629495608838
Energy: 1.494055498484697
Energy: 1.266714220744727
Energy: 1.4973894485960202
Energy: 1.2667142207456052
Energy: 1.5732419165565943
Energy: 1.236012266297384
Energy: 10.979522245593344
Energy: 1.236012266296506
Energy: 1.5382894815476162
Energy: 1.281671863137515
Energy: 1.5211746774121198
Energy: 1.2816718631383932
Energy: 10.701058224721868
Energy: 1.1945603341266993
Energy: 1.5166712571651926
Energy: 1.1945603341275772
Energy: 1.516675655058894
Energy: 1.2188647666940553
Energy: 1.4977275392658378
Energy: 1.2188647666931771
Energy: 1.4802418995633848
Energy: 1.1690100149459492
Energy: 6.547734502035052
Energy: 1.1690100149433154
Energy: 1.4760999912894048
Energy: 1.208307737928297
Energy: 1.4578019492212089
Energy: 1.208307737929175
Energy: 6.411358924669524
Energy: 1.142768655106462
Energy: 1.4660498801832085
Energy: 1.142768655104706
Energy: 1.4681383555513743
Energy: 1.1579549407623213
Energy: 1.4411158750502056
Energy: 1.1579549407631993
Energy: 1.445276835005511
Energy: 1.132211270844011
Energy: 1.397769868488149
Energy: 1.1322112708448893
Energy: 1.4357506857459112
Energy: 1.163129913990668
Energy: 1.4409136474792692
Energy: 1.16312991398979
Energy: 1.3838424492066876
Energy: 1.1327565999572327
Energy: 1.3981410038944604
Energy: 1.1327565999572327

minimum gb energy = 1.132211270844011 eV
minimum distance =  2.52340629946355 Angstroms
sigma value = 85


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

Energy: 1.662804658970854
Energy: 1.1767992331135289
Energy: 9.55693133225328
Energy: 1.1767992331142902
Energy: 1.3810270796540085
Energy: 1.2851935151187177
Energy: 1.432070051379448
Energy: 1.285193515117956
Energy: 9.38705027149131
Energy: 1.146397397477559
Energy: 1.6018364195036858
Energy: 1.1463973974767976
Energy: 1.4062127053665474
Energy: 1.138815899315924
Energy: 1.4318427497734774
Energy: 1.138815899315924
Energy: 1.5218822477156226
Energy: 1.0945776938683012
Energy: 5.598759315841859
Energy: 1.0945776938690628
Energy: 1.4056018051210277
Energy: 1.108036661283551
Energy: 1.3732909112095626
Energy: 1.1080366612843127
Energy: 5.9734523964534425
Energy: 1.0791268867960564
Energy: 1.4783457175649586
Energy: 1.0791268867960564
Energy: 1.3676292390057272
Energy: 1.0793255056677107
Energy: 1.374224558586449
Energy: 1.079325505668472
Energy: 1.4100944602524097
Energy: 1.0465327404826807
Energy: 1.3144269365202434
Energy: 1.0465327404819191
Energy: 1.3678788631712053
Energy: 1.0659624682016413
Energy: 1.361806951512467
Energy: 1.0659624682016413
Energy: 1.2819004474154414
Energy: 1.0464284159375834
Energy: 1.384565751264121
Energy: 1.046428415936822
Energy: 1.374033527508875
Energy: 1.0554080898211766
Energy: 1.3491201441999685
Energy: 1.0554080898211766
Energy: 1.3312675515581516
Energy: 1.0463621715602174
Energy: 1.2952350256059504
Energy: 1.0463621715602174
Energy: 1.4229149196252417
Energy: 1.0827385036688437
Energy: 1.3567538826717602
Energy: 1.0827385036688437
Energy: 1.2826371934314575
Energy: 1.046377952243508
Energy: 1.3244769067323394
Energy: 1.0463779522427463
Energy: 1.3527943315333233
Energy: 1.068973098686717
Energy: 1.3917589377567572
Energy: 1.0689730986874784
Energy: 1.288051071180975
Energy: 1.0465476201978425
Energy: 1.308609675567749
Energy: 1.0465476201970811
Energy: 1.4209446951439872
Energy: 1.0684859699273694
Energy: 1.3572468989746775
Energy: 1.0684859699273694
Energy: 1.3146900139351938
Energy: 1.0461852222098496
Energy: 1.30047214041915
Energy: 1.046185222209088
Energy: 1.3450789854986362
Energy: 1.0408791173875163
Energy: 1.4401486437691078
Energy: 1.0408791173867549
Energy: 1.2835698662969623
Energy: 1.0463621622201489
Energy: 1.351990700309865
Energy: 1.0463621622201489
Energy: 1.3655291367971791
Energy: 1.055651444587715
Energy: 1.361663229661991
Energy: 1.055651444587715
Energy: 1.3756164430941793
Energy: 1.0464765802000822
Energy: 1.3143104865175446
Energy: 1.046476580199321
Energy: 1.3684631074789069
Energy: 1.1986147133190657
Energy: 1.4003586095750056
Energy: 1.198614713319827
Energy: 6.04755191365626
Energy: 1.0787591382140067
Energy: 1.4226398566728644
Energy: 1.0787591382140067
Energy: 1.4075483063461243
Energy: 1.21320138153931
Energy: 1.3723481575061407
Energy: 1.21320138153931
Energy: 1.463999475350218
Energy: 1.0939230144322916
Energy: 5.493598490081637
Energy: 1.0939230144338146
Energy: 1.3974167630767955
Energy: 1.1295662533482687
Energy: 1.3552724319325864
Energy: 1.1295662533482687
Energy: 8.333135859870508
Energy: 1.1458534397446551
Energy: 1.4851763136771767
Energy: 1.1458534397438938
Energy: 1.3815484835678942
Energy: 1.1839931689867005
Energy: 1.4320752746574144
Energy: 1.1839931689867005
Energy: 1.5473763195105925
Energy: 1.176055024937603
Energy: 9.334325596796253
Energy: 1.1760550249383641
Energy: 1.476473320523558
Energy: 1.1724073777443853
Energy: 1.3551855946386662
Energy: 1.1724073777443853
Energy: 9.347910759662035
Energy: 1.1455296135870936
Energy: 1.4851438919452966
Energy: 1.1455296135855706
Energy: 1.4082544396541385
Energy: 1.1393718249125626
Energy: 1.4320302717932705
Energy: 1.1393718249133242
Energy: 1.4642479565810127
Energy: 1.0939250426295128
Energy: 5.9747050049322645
Energy: 1.0939250426302745
Energy: 1.3973331053521392
Energy: 1.092000227050112
Energy: 1.4007100616483856
Energy: 1.0920002270508733
Energy: 5.612983642290389
Energy: 1.078555368718117
Energy: 1.4225138345798372
Energy: 1.0785553687188787
Energy: 1.3667967799111331
Energy: 1.0799142429288437
Energy: 1.3721696248698199
Energy: 1.0799142429296051
Energy: 1.375639825247775
Energy: 1.0462270503388298
Energy: 1.3132321802580404
Energy: 1.0462270503380684
Energy: 1.3561771357285732
Energy: 1.0492723694490047
Energy: 1.379036896245031
Energy: 1.0492723694482435
Energy: 1.281187368147999
Energy: 1.0461262519116183
Energy: 1.3521794511197862
Energy: 1.0461262519116183
Energy: 1.365003075781382
Energy: 1.0561736154273784
Energy: 1.3502001383045785
Energy: 1.0561736154273784
Energy: 1.3145665310938708
Energy: 1.0335332541325006
Energy: 1.295098803058877
Energy: 1.0335332541325006

minimum gb energy = 1.0335332541325006 eV
minimum distance =  2.52585619454139 Angstroms
sigma value = 113


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

Energy: 0.019687820803004998
Energy: 0.019949626488950455
Energy: 7.301451133279879
Energy: 0.019949626488950455
Energy: 0.020002162604468125
Energy: 1.033039204222076
Energy: 0.020002162604468125
Energy: 1.033039204222076
Energy: 12.050194382570302
Energy: 0.019949626489503318
Energy: 0.019687820803004998
Energy: 0.019949626488950455
Energy: 0.020002162604468125
Energy: 1.0330392042214904
Energy: 0.020002162604468125
Energy: 1.033039204222076
Energy: 0.019687820803004998
Energy: 0.019949626489503318
Energy: 12.139124299579061
Energy: 0.019949626488950455
Energy: 0.020002162604468125
Energy: 1.033039204222076
Energy: 0.020002162604468125
Energy: 1.033039204222076

minimum gb energy = 0.019687820803004998 eV
minimum distance =  2.69846477635169 Angstroms
sigma value = 1