Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.889999970793724
cohesive_energy=3.9103075409767074
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.879694039430279e-20, 1.6581727073583e-19, 2.22705756479268e-19, 2.72382845193072e-19, 3.16391432975784e-19, 3.5569923451433995e-19, 3.9097275528848397e-19, 4.22705465701488e-19, 4.512770816156099e-19, 4.76987210061408e-19, 5.00082586240518e-19, 5.20765084408824e-19, 5.39214148349334e-19, 5.55573973959108e-19, 5.69971133192232e-19, 5.82520982766354e-19, 5.9332285763278195e-19, 6.0246487750638595e-19, 6.10027151218866e-19, 6.16083378895386e-19, 6.20696045424672e-19, 6.239260335188159e-19, 6.25827817183374e-19, 6.264510638939999e-19, 6.25774945354452e-19, 6.23571952482702e-19, 6.19548886954728e-19, 6.13350065557782e-19, 6.04546104953952e-19, 5.92619502090456e-19, 5.76940601550132e-19, 5.567387563720259e-19, 5.310670801654439e-19, 4.98751177457664e-19, 4.58329863158478e-19, 4.0796704284532203e-19, 3.4534116257553e-19, 2.6748659339956796e-19, 1.7057253098554197e-19, 4.9621813619930997e-20, -1.019610790287894e-19, -2.92977223646508e-19, -5.353977636071459e-19, -8.45742581966214e-19, -1.2472544551531498e-18, -1.7735454467726396e-18, -2.47427341941888e-18, -3.4248448163710798e-18, -4.745070406319759e-18, -6.63031960801488e-18, -9.42002956313568e-18, -1.380175835239692e-17, -2.1284756365026598e-17, -3.57335056857654e-17]
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: 0.01302491443840125
Energy: 0.426249406014471
Energy: 0.01349574008427371
Energy: 0.013246892881877418
Energy: 0.4266155349717807
Energy: 0.013426309437813515
Energy: 0.4262494060139594
Energy: 0.0903046417806135
Energy: 0.09020723408575362
Energy: 0.09024830000079084
Energy: 0.0906424919912917
Energy: 0.09064363832222763
Energy: 0.013495740083491298
Energy: 0.09020723408972588
Energy: 0.09047166758935812
Energy: 0.013628671187958595
Energy: 0.09043888453771334
Energy: 0.09104263798197007
Energy: 0.013246892882148255
Energy: 0.09024830000160335
Energy: 0.013628671187447015
Energy: 0.013261777805163273
Energy: 0.09057008219350021
Energy: 0.013594754497158175
Energy: 0.4266155349657019
Energy: 0.09064249199366903
Energy: 0.09043888453927817
Energy: 0.09057008219614839
Energy: 0.09058539858522507
Energy: 0.09059594579938283
Energy: 0.013426309438325094
Energy: 0.09064363831666046
Energy: 0.09104263797113665
Energy: 0.013594754498211426
Energy: 0.09059594580549167
Energy: 0.013746810102207217

minimum gb energy = 0.01302491443840125 eV
minimum distance =  2.74448874622035 Angstroms
sigma value = 1


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

Energy: 1.1611345130895578
Energy: 0.6900763891512067
Energy: 0.7444129736871412
Energy: 0.6830483591110357
Energy: 0.6898615260594881
Energy: 0.7421464962547205
Energy: 1.0347387085507038
Energy: 0.6809192930716724
Energy: 0.6807538609995805
Energy: 0.6722441359510758
Energy: 0.6799596139691515
Energy: 0.6792725711469596
Energy: 1.0231195722008375
Energy: 0.6855569369052162
Energy: 0.6779581345842363
Energy: 0.6936709776741412
Energy: 0.6780525845935463
Energy: 0.6761961194576611
Energy: 1.1534721482001724
Energy: 0.6813375891073953
Energy: 0.6852037981898832
Energy: 0.6894647814312329
Energy: 0.6809815415987341
Energy: 0.6843288841652855
Energy: 1.0356067808001483
Energy: 0.6808634767903512
Energy: 0.6780891985150922
Energy: 0.6700619706534608
Energy: 0.6819026664001083
Energy: 0.6764064405126056
Energy: 1.0316106368052482
Energy: 0.6882101042275508
Energy: 0.688488458270072
Energy: 0.6879897964695847
Energy: 0.6785943328401148
Energy: 0.6949869269158999
Energy: 1.0342682835577437
Energy: 0.6895741322843496
Energy: 0.688671115896705
Energy: 0.6923632364685103
Energy: 0.693823913334025
Energy: 0.6879968567277759
Energy: 0.9856140502314267
Energy: 0.6924643370162339
Energy: 0.6924155742427516
Energy: 0.6407485339536568
Energy: 0.6923786992180442
Energy: 0.6878967192791621
Energy: 0.8375461708807171
Energy: 0.694668535387656
Energy: 0.6943349265720987
Energy: 0.6809054055777982
Energy: 0.6880665727981327
Energy: 0.6931638403508731
Energy: 0.8335362252949104
Energy: 0.6790411758083957
Energy: 0.6783865712360196
Energy: 0.6833306349434103
Energy: 0.6800039057323664
Energy: 0.6790653057011428
Energy: 0.822849299695109
Energy: 0.6720407448973266
Energy: 0.671051615597554
Energy: 0.7387078272291312
Energy: 0.6775279342401055
Energy: 0.6917754785480824
Energy: 0.7504491738360869
Energy: 0.6756833764107498
Energy: 0.6755613457912075
Energy: 0.6781007689961983
Energy: 0.6921616992605013
Energy: 0.6768167954764773
Energy: 0.7481886692935199
Energy: 0.6700643275949955
Energy: 0.6710275706947716
Energy: 0.6790651346700604
Energy: 0.6755654364366427
Energy: 0.6764940972160295
Energy: 0.8041993358820014
Energy: 0.6893735703541823
Energy: 0.6760386270340427
Energy: 0.6906197544709106
Energy: 0.6809382732624697
Energy: 0.6971433640614721
Energy: 0.7750657822614987
Energy: 0.6764766341823067
Energy: 0.677004368430117
Energy: 0.6837929854313648
Energy: 0.6707054111337828
Energy: 0.6779022959320096
Energy: 0.7778725930722145
Energy: 0.6946223131999766
Energy: 0.6950152700547169
Energy: 0.6778373676658705
Energy: 0.6945006211033731
Energy: 0.6889608970399238
Energy: 0.9884113959850773
Energy: 0.6868225273455862
Energy: 0.6863633108112143
Energy: 0.6793233974229351
Energy: 0.6857605149268476
Energy: 0.6975633419337753
Energy: 0.9286159423679609
Energy: 0.6953784147091862
Energy: 0.6949885432188653
Energy: 0.694960765681288
Energy: 0.6871497749469475
Energy: 0.6947862400808403
Energy: 0.9296973799591184
Energy: 0.6957165313796596
Energy: 0.6945754733062561
Energy: 0.6891909423371337
Energy: 0.6952414835030547
Energy: 0.6941225765282937
Energy: 1.023030808395714
Energy: 0.6960498167538606
Energy: 0.6946670711118651
Energy: 0.6892270193257816
Energy: 0.6948198646152559
Energy: 0.6941421745524664
Energy: 1.0803094516863154
Energy: 0.679535012509827
Energy: 0.6719723852828708
Energy: 0.6782963221044239
Energy: 0.6809597754077119
Energy: 0.6782890603925755
Energy: 1.0534231267896323
Energy: 0.6951818755636453
Energy: 0.6893389227883618
Energy: 0.6911712623302282
Energy: 0.6784531243370906
Energy: 0.6946851619071037
Energy: 1.076741417293749
Energy: 0.6799124554979101
Energy: 0.6806269867436211
Energy: 0.6630776701053392
Energy: 0.6809300356506578
Energy: 0.6792951101807997

minimum gb energy = 0.6407485339536568 eV
minimum distance =  2.56031638713175 Angstroms
sigma value = 33


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

Energy: 1.4672931327919612
Energy: 0.7501939928316917
Energy: 0.7441743044022727
Energy: 0.7487367679363226
Energy: 0.7760676981518007
Energy: 0.7441857003260817
Energy: 0.9854177794755307
Energy: 0.7172076830365706
Energy: 0.7215821531173742
Energy: 0.7336142312410863
Energy: 0.7416889808805252
Energy: 0.721314316215607
Energy: 0.7300066594943612
Energy: 0.7399307454213342
Energy: 0.7369541963561528
Energy: 0.7261953716914835
Energy: 0.7360708201547527
Energy: 0.7203182847573867
Energy: 1.1246551825877906
Energy: 0.7297560344372193
Energy: 0.7284142837170325
Energy: 0.7268901204354411
Energy: 0.7628808963238353
Energy: 0.7270279391934155
Energy: 0.9895960661061864
Energy: 0.7209215959577545
Energy: 0.737043658841186
Energy: 0.7332358149797407
Energy: 0.7195046263245451
Energy: 0.7377967599727586
Energy: 1.078118439143495
Energy: 0.7262329418282564
Energy: 0.7397083371782485
Energy: 0.7229967091091443
Energy: 0.7408513810606951
Energy: 0.7445855732946456
Energy: 1.0771439776222045
Energy: 0.7209200794041679
Energy: 0.7235191657147523
Energy: 0.7222614492202696
Energy: 0.725947194226423
Energy: 0.726302985543496
Energy: 0.9779213521815842
Energy: 0.7256399662545465
Energy: 0.7221936547424989
Energy: 0.7236780762585207
Energy: 0.7258102267771629
Energy: 0.7208770576240963
Energy: 0.8576325991939057
Energy: 0.7071774028074441
Energy: 0.7202864063869041
Energy: 0.726635582921618
Energy: 0.725316988107852
Energy: 0.7218444014351346
Energy: 0.8572060518711065
Energy: 0.7139460813516764
Energy: 0.7150932040445311
Energy: 0.7125834744606289
Energy: 0.7145338635001504
Energy: 0.7167034358484337
Energy: 0.8485973202933461
Energy: 0.722660108350533
Energy: 0.7279703092455814
Energy: 0.7778091279927164
Energy: 0.7114626012245743
Energy: 0.728002855871163
Energy: 0.7899392834548055
Energy: 0.7159041194976568
Energy: 0.7160766375095714
Energy: 0.7419466997673916
Energy: 0.7156639154026981
Energy: 0.7193036281841008
Energy: 0.7886350187877453
Energy: 0.7282818245275992
Energy: 0.7239349506242458
Energy: 0.7405258249960511
Energy: 0.7256006549931007
Energy: 0.7103749704063562
Energy: 0.851942966605873
Energy: 0.7281349886251106
Energy: 0.7233031958193269
Energy: 0.749009189977562
Energy: 0.7250436162787227
Energy: 0.7241844596712761
Energy: 0.855950628385829
Energy: 0.728677234397727
Energy: 0.7290996960071193
Energy: 0.7327056226175003
Energy: 0.7318796088322181
Energy: 0.7293194452204392
Energy: 0.8581331672448351
Energy: 0.7026367032786941
Energy: 0.7199363907043904
Energy: 0.7655436389159442
Energy: 0.702092069322184
Energy: 0.7367115271487408
Energy: 1.0024338784819127
Energy: 0.7021541501111865
Energy: 0.7023687829211414
Energy: 0.7062960658367112
Energy: 0.7021986232375476
Energy: 0.6943788539002184
Energy: 0.976608996023834
Energy: 0.704305515987164
Energy: 0.7048648258904124
Energy: 0.7255946584942111
Energy: 0.7151128421509212
Energy: 0.7280980947033652
Energy: 0.9791717711517935
Energy: 0.7037126609632657
Energy: 0.7037221607915495
Energy: 0.7258242836273666
Energy: 0.7029330380911598
Energy: 0.7033171309027156
Energy: 0.8925466791426204
Energy: 0.718201944177971
Energy: 0.7180727208170671
Energy: 0.7174111603086851
Energy: 0.7171954255923481
Energy: 0.717514820551565
Energy: 1.181936524885373
Energy: 0.7140769822828231
Energy: 0.7139186308436343
Energy: 0.7192210367751147
Energy: 0.7143035298568218
Energy: 0.7141755002155641
Energy: 0.8925318939111603
Energy: 0.712785667474197
Energy: 0.7082576311435309
Energy: 0.717093792069639
Energy: 0.726042532666467
Energy: 0.7190565609814177
Energy: 0.8915271199016418
Energy: 0.7039925897402448
Energy: 0.7032162697837054
Energy: 0.7001995041927396
Energy: 0.7089083579776853
Energy: 0.7028278683274778
Energy: 1.1210370240944945
Energy: 0.7130886931406885
Energy: 0.6907385070806394
Energy: 0.724543908957591
Energy: 0.7127344028731656
Energy: 0.7390103837861295
Energy: 0.8906048191870615
Energy: 0.7034421754734062
Energy: 0.7032470354343712
Energy: 0.7004738395994732
Energy: 0.7063554408848448
Energy: 0.7031540549870918
Energy: 0.9881227015353934
Energy: 0.7208830245586393
Energy: 0.7396128704008942
Energy: 0.7412014211002702
Energy: 0.7350103212381549
Energy: 0.738277248240283
Energy: 1.07718340503975
Energy: 0.7299892170345315
Energy: 0.7336179988701141
Energy: 0.7274302736062416
Energy: 0.740290352573033
Energy: 0.7245114759596412
Energy: 0.9850000865629307
Energy: 0.726872864801348
Energy: 0.7276602421498835
Energy: 0.7369027911006115
Energy: 0.7106886000552729
Energy: 0.7354474853700816
Energy: 0.8573248662229517
Energy: 0.7270550074698471
Energy: 0.7273126805436622
Energy: 0.730395427710559
Energy: 0.7253690943252449
Energy: 0.7350631381636896
Energy: 0.8572908674524415
Energy: 0.7133511272484258
Energy: 0.7146097313261427
Energy: 0.7097751467728868
Energy: 0.7136248458373637
Energy: 0.7136969842222985
Energy: 0.9308398602298458
Energy: 0.7109378818494332
Energy: 0.713703311854456
Energy: 0.7369365849658543
Energy: 0.7010884167386303
Energy: 0.7005133538018663
Energy: 0.7875319269296576
Energy: 0.7156444105970743
Energy: 0.7160888861021174
Energy: 0.7436376605941301
Energy: 0.7158055471698059
Energy: 0.7190342979097111
Energy: 0.7892087149519857
Energy: 0.7242383113750963
Energy: 0.7240188275560963
Energy: 0.7220987884025281
Energy: 0.7249114844366822
Energy: 0.7235943059078309
Energy: 0.7882519469438934
Energy: 0.725048083441855
Energy: 0.7288702163799092
Energy: 0.7506537263881932
Energy: 0.7247617100631809
Energy: 0.7191971508655505
Energy: 0.8586918694372216
Energy: 0.7255201672013595
Energy: 0.725217399525384
Energy: 0.7210381748304605
Energy: 0.7249419136497419
Energy: 0.7218331369773557
Energy: 0.8590087427928141
Energy: 0.7449094443978844
Energy: 0.744184368147568
Energy: 0.7620022250050569
Energy: 0.745753969189954
Energy: 0.7436857208813425
Energy: 0.858705465386875
Energy: 0.727808538247675
Energy: 0.7429738374129647
Energy: 0.7521494635322077
Energy: 0.7335148599930716
Energy: 0.7397774847282289
Energy: 0.9804199697609131
Energy: 0.7401678559782852
Energy: 0.7203835206961156
Energy: 0.7248371904431983
Energy: 0.7432638592072806
Energy: 0.7264548515432272
Energy: 0.976201418611623
Energy: 0.7487786131564832
Energy: 0.7425465502175531
Energy: 0.7270002821341836
Energy: 0.7483659035199569
Energy: 0.7213750577984018
Energy: 0.9890960177468882
Energy: 0.7377200197318102
Energy: 0.7420606297228881
Energy: 0.7387862843883842
Energy: 0.7461925275853093
Energy: 0.745447484113929
Energy: 1.1274504252510207
Energy: 0.7117445591288335
Energy: 0.7109858217430154
Energy: 0.7146849570196256
Energy: 0.7262970585199763
Energy: 0.7166968767552376

minimum gb energy = 0.6907385070806394 eV
minimum distance =  2.56417642115577 Angstroms
sigma value = 51


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

Energy: 1.2029960984161079
Energy: 0.7501650516940862
Energy: 0.7363856434829403
Energy: 0.7288963882398838
Energy: 0.7500782928703532
Energy: 0.7290081742145936
Energy: 0.9075489540123107
Energy: 0.7236574820010516
Energy: 0.7242655553953695
Energy: 0.6974189332669254
Energy: 0.7188475647353249
Energy: 0.6948509901251374
Energy: 1.0698287076990434
Energy: 0.7186884749926552
Energy: 0.7179681953783578
Energy: 0.7025900588905628
Energy: 0.7600310358310607
Energy: 0.7185548904449364
Energy: 1.0690385378511418
Energy: 0.7288774925144698
Energy: 0.7219135900012628
Energy: 0.7027068796637359
Energy: 0.7266460589637157
Energy: 0.7140891481245
Energy: 0.9076129275676107
Energy: 0.6935751857829096
Energy: 0.6941806411667227
Energy: 0.6972933010554913
Energy: 0.6944951582839215
Energy: 0.6955277474375493
Energy: 0.9075375955710961
Energy: 0.7044244637510947
Energy: 0.6922463398791543
Energy: 0.6980841755098856
Energy: 0.7051600420521438
Energy: 0.6922442945296845
Energy: 0.9076290842153893
Energy: 0.7059304535941556
Energy: 0.7046427025736391
Energy: 0.6950374779423731
Energy: 0.7057099665133802
Energy: 0.7045564189349651
Energy: 0.8929701644067566
Energy: 0.6841871112663278
Energy: 0.6840610304512806
Energy: 0.729433560780814
Energy: 0.6842550882831427
Energy: 0.7211160310044624
Energy: 0.7677497683239413
Energy: 0.6974087068867972
Energy: 0.7158723218159346
Energy: 0.7594843777606477
Energy: 0.6710081308086151
Energy: 0.7182527415617375
Energy: 0.76797810755467
Energy: 0.6972700295277802
Energy: 0.6968351311924277
Energy: 0.7597325731004332
Energy: 0.6975792626060703
Energy: 0.7199777029724244
Energy: 0.7683022889899779
Energy: 0.7094138399431245
Energy: 0.7079449383888338
Energy: 0.7672189601795064
Energy: 0.7117601136387227
Energy: 0.7090412922109568
Energy: 0.8040873771956755
Energy: 0.6963471512232101
Energy: 0.6952902412968404
Energy: 0.7188356063834623
Energy: 0.696429363323865
Energy: 0.6949765431538241
Energy: 0.803372408918873
Energy: 0.7023217722705892
Energy: 0.7205184683421226
Energy: 0.7643775006779129
Energy: 0.7195152777146585
Energy: 0.7204351773227311
Energy: 0.8034604077684748
Energy: 0.7119801396296066
Energy: 0.7120609222475477
Energy: 0.7272459554241313
Energy: 0.7057944056004234
Energy: 0.7306271854645988
Energy: 0.969704206232631
Energy: 0.7204603826679781
Energy: 0.7327089078794103
Energy: 0.7811425773433163
Energy: 0.720527528295019
Energy: 0.7213649294567469
Energy: 0.9706235103863388
Energy: 0.7208106187537315
Energy: 0.7229741089241398
Energy: 0.6715277554547023
Energy: 0.7521031349518319
Energy: 0.7336523396279153
Energy: 0.9750962995774534
Energy: 0.718283682978681
Energy: 0.7195992076435319
Energy: 0.6969056955761858
Energy: 0.7186578719707986
Energy: 0.7200516016348425
Energy: 1.162896852650063
Energy: 0.6942504640010894
Energy: 0.6710939735840894
Energy: 0.6832280754902045
Energy: 0.6960625786223704
Energy: 0.6714644395658345

minimum gb energy = 0.6710081308086151 eV
minimum distance =  2.54428962927029 Angstroms
sigma value = 19


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

Energy: 1.0052084707602482
Energy: 0.7222151943964805
Energy: 0.7994980245338179
Energy: 0.8010560209348464
Energy: 0.7207089789546804
Energy: 0.802037578602366
Energy: 0.8614715422687231
Energy: 0.7203076436962849
Energy: 0.7203887158837555
Energy: 0.7431247035322411
Energy: 0.7203376504351505
Energy: 0.7207724499032003
Energy: 0.8607252309486264
Energy: 0.7201347093756152
Energy: 0.7204136275288652
Energy: 0.7429962987134395
Energy: 0.7202279585295223
Energy: 0.720483215114341
Energy: 0.8562241402642425
Energy: 0.720293344177537
Energy: 0.7203715336973104
Energy: 0.7500405824535434
Energy: 0.7200384348852001
Energy: 0.7207451848412094
Energy: 0.860850154076091
Energy: 0.7204010465457715
Energy: 0.7431465558904647
Energy: 0.70790833120892
Energy: 0.7202282670092948
Energy: 0.7428984962425584
Energy: 0.8620963085645219
Energy: 0.7017488182056335
Energy: 0.7422656229660209
Energy: 0.7436624895955695
Energy: 0.7015196857733904
Energy: 0.74249265189088
Energy: 0.861864359548727
Energy: 0.7086370419645275
Energy: 0.7427575877222375
Energy: 0.7433067681012141
Energy: 0.7082233888818196
Energy: 0.7428086253991489
Energy: 0.8080023849840849
Energy: 0.7025438116161785
Energy: 0.7034666906316654
Energy: 0.7210276212728634
Energy: 0.7024933214367529
Energy: 0.7022561041541957
Energy: 0.7204037662786575
Energy: 0.702049854818825
Energy: 0.7023530149022816
Energy: 0.7204191994517778
Energy: 0.7028069543358216
Energy: 0.7019393582496184
Energy: 0.7205675283442877
Energy: 0.7435691375228808
Energy: 0.7208091023408544
Energy: 0.7203027453267178
Energy: 0.7444984590877098
Energy: 0.7202941573773223
Energy: 0.7194323333818552
Energy: 0.7613685813082628
Energy: 0.7499270376481733
Energy: 0.7198785035124649
Energy: 0.7506188911580353
Energy: 0.721088174250308
Energy: 0.861373675271989
Energy: 0.74403419679153
Energy: 0.742675076527909
Energy: 0.7201956529232724
Energy: 0.7439101909950647
Energy: 0.7207132871537181
Energy: 0.7015900265783199
Energy: 0.7427918672696843
Energy: 0.7433310789973226
Energy: 0.7035455227171499
Energy: 0.7431133284922946
Energy: 0.7436322011623794
Energy: 0.8623055207247821
Energy: 0.7435933850871987
Energy: 0.7432990893092888
Energy: 0.7209586514355071
Energy: 0.7434552617007838
Energy: 0.7430715248286087
Energy: 1.0096991122465953
Energy: 0.7205135999127422
Energy: 0.7206976897518814
Energy: 0.7015145866939752
Energy: 0.7202613687372866
Energy: 0.7021511594889833
Energy: 1.0065334943486328
Energy: 0.7441502461047096
Energy: 0.7019221005513222
Energy: 0.7017897443581235
Energy: 0.7228849518025259
Energy: 0.7033458878774712
Energy: 0.8616073097564281
Energy: 0.7203256068086663
Energy: 0.7203349812263741
Energy: 0.7083889198727382
Energy: 0.720570158759698
Energy: 0.7206070310636927
Energy: 0.8568034720763421
Energy: 0.7201439929685188
Energy: 0.7202929607717209
Energy: 0.7496161370538013
Energy: 0.7200880887318394
Energy: 0.7215874259924075
Energy: 0.8543687633853367
Energy: 0.7202403919799215
Energy: 0.7204259372891514
Energy: 0.7494104043250903
Energy: 0.72016030816011
Energy: 0.7206506941488927
Energy: 0.8613969448122912
Energy: 0.7016331221440348
Energy: 0.7428312104699051
Energy: 0.7436400300692034
Energy: 0.701466171153519
Energy: 0.7419304739118019
Energy: 0.8569402240656503
Energy: 0.7440657385000118
Energy: 0.7434182512846653
Energy: 0.7439495828707241
Energy: 0.7203888995455598
Energy: 0.7433832280539774
Energy: 0.8615804872802887
Energy: 0.7088179493289641
Energy: 0.74277177449918
Energy: 0.7203922677982056
Energy: 0.7084067458882443
Energy: 0.7429731238516734
Energy: 0.808953682981913
Energy: 0.702525406412064
Energy: 0.7024036977341547
Energy: 0.7435466559643815
Energy: 0.7029637826671497
Energy: 0.7996448631546921
Energy: 0.7204876117597416
Energy: 0.7431540220691
Energy: 0.7215192838400195
Energy: 0.7204379938323334
Energy: 0.7322608768802068
Energy: 0.7204667162425987
Energy: 0.7201732554118581
Energy: 0.7456639195393613
Energy: 0.7209115010457774
Energy: 0.7202501495202247
Energy: 0.7425681630237789
Energy: 0.7204555417627128
Energy: 0.8101604970321375
Energy: 0.751543104056319
Energy: 0.750727349843961
Energy: 0.7201861278654358
Energy: 0.7496608912043745
Energy: 0.7205056228221826
Energy: 0.8615453315797659
Energy: 0.743300563492138
Energy: 0.7435607071864555
Energy: 0.7215036767496577
Energy: 0.744789883816128
Energy: 0.7431937949609221
Energy: 0.7014052732314554
Energy: 0.7430717176257474
Energy: 0.7435338350741377
Energy: 0.7014861113414962
Energy: 0.743351593533468
Energy: 0.7417851451693919
Energy: 0.8083935092637836
Energy: 0.743055334867099
Energy: 0.7433720474122487
Energy: 0.708544194438134
Energy: 0.7431477748812407
Energy: 0.7422153708201255
Energy: 1.00790886720714
Energy: 0.7443944060637967
Energy: 0.7022757035778489
Energy: 0.7015523259444313
Energy: 0.720908515190811
Energy: 0.7017481381893871

minimum gb energy = 0.7014052732314554 eV
minimum distance =  2.55562072786196 Angstroms
sigma value = 27


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

Energy: 0.861054260222556
Energy: 0.67238023959312
Energy: 0.5885941494977216
Energy: 0.6928016448455511
Energy: 0.6724510577210564
Energy: 0.5889896773109949
Energy: 0.8418394902022797
Energy: 0.6631572852890462
Energy: 0.6190945775589146
Energy: 0.6547656586857092
Energy: 0.7185106283517323
Energy: 0.6194242448685112
Energy: 0.7745447117378902
Energy: 0.6625665431385386
Energy: 0.6642159117527976
Energy: 0.6190203150630063
Energy: 0.7200204098714122
Energy: 0.6198359153047054
Energy: 0.7761568682166486
Energy: 0.6186714513309345
Energy: 0.6183872423322136
Energy: 0.6197470286218232
Energy: 0.6204341881006897
Energy: 0.6184447947332812
Energy: 0.8428895695244363
Energy: 0.6415559339524691
Energy: 0.6200877642643035
Energy: 0.6762582564759461
Energy: 0.6411337809056631
Energy: 0.6199921856975229
Energy: 0.7184361611438408
Energy: 0.6880467390531495
Energy: 0.6438673931799536
Energy: 0.7187968189382233
Energy: 0.6890995620597176
Energy: 0.5889947882103426
Energy: 0.7192085111410783
Energy: 0.6536606920216425
Energy: 0.6635483102059719
Energy: 0.7188885466278934
Energy: 0.6541321543325279
Energy: 0.6630224792097507
Energy: 0.7192539299540309
Energy: 0.6536918757876913
Energy: 0.6531970778125659
Energy: 0.7190358267994224
Energy: 0.6537161323189276
Energy: 0.6186611552921499
Energy: 0.7744445830404884
Energy: 0.6185951251721961
Energy: 0.6545588822401864
Energy: 0.662270527535834
Energy: 0.618741878385465
Energy: 0.6201414205392144
Energy: 0.7753963832504919
Energy: 0.6556777205777379
Energy: 0.6186400533300681
Energy: 0.6629887024181347
Energy: 0.6570373798847241
Energy: 0.6628176480085307
Energy: 0.7747369958292406
Energy: 0.6988290228223707
Energy: 0.7004303407124207
Energy: 0.6631359821266936
Energy: 0.6999903602759466
Energy: 0.6561272234957306
Energy: 0.7747798289058663
Energy: 0.6630384260162798
Energy: 0.6191042410807455
Energy: 0.6547729871310384
Energy: 0.6631615749196981
Energy: 0.619322365541598

minimum gb energy = 0.5885941494977216 eV
minimum distance =  2.58557046765336 Angstroms
sigma value = 9


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

Energy: 0.6972878268832295
Energy: 0.5956865235277804
Energy: 0.6073513183484758
Energy: 0.5919800461123333
Energy: 0.6663394833757579
Energy: 0.6080002944074445
Energy: 0.6619990707400347
Energy: 0.5730725803455926
Energy: 0.6045601698740753
Energy: 0.5918175056367626
Energy: 0.6040211469384822
Energy: 0.5943365323511246
Energy: 0.6619224430386804
Energy: 0.5725810975620638
Energy: 0.5737142535074361
Energy: 0.6075225466049667
Energy: 0.6237702206373202
Energy: 0.5935673557796897
Energy: 0.6634306921928652
Energy: 0.57061585408691
Energy: 0.5706833396584269
Energy: 0.6077056005559364
Energy: 0.573828534658099
Energy: 0.570691563285788
Energy: 0.6962021053510932
Energy: 0.566225630015528
Energy: 0.5901298874552838
Energy: 0.6158559488530034
Energy: 0.5868811713905249
Energy: 0.5958642419180675
Energy: 0.6213128915741832
Energy: 0.5670914567987597
Energy: 0.5924662539660228
Energy: 0.6212240573335083
Energy: 0.6075841526736044
Energy: 0.5961742567276974
Energy: 0.6219194610110779
Energy: 0.5706459654221251
Energy: 0.5707197441959376
Energy: 0.6229317483192119
Energy: 0.5733519262511825
Energy: 0.591949446262015
Energy: 0.634829535045701
Energy: 0.5881876024830984
Energy: 0.5921741910290451
Energy: 0.6354465355178142
Energy: 0.6049045688531016
Energy: 0.590558496168279
Energy: 0.8620843394169091
Energy: 0.573059253006623
Energy: 0.6072059904474331
Energy: 0.6005232247676449
Energy: 0.6096654829763936
Energy: 0.5945006654345903
Energy: 0.6168091995109312
Energy: 0.5711920295747928
Energy: 0.5713831655652042
Energy: 0.6003858680646755
Energy: 0.5745602951257085
Energy: 0.5660234177303366
Energy: 0.6101021809044778
Energy: 0.5974667825770915
Energy: 0.595762480998603
Energy: 0.602112923793263
Energy: 0.622626907681133
Energy: 0.6041585658839955
Energy: 0.7507086983949993
Energy: 0.5958881015380977
Energy: 0.6072898903962984
Energy: 0.5869004198634228
Energy: 0.6227504276062004
Energy: 0.5719916482392263
Energy: 0.6549110143511201
Energy: 0.6031162554006649
Energy: 0.5797902126372397
Energy: 0.6050811655342883
Energy: 0.603802336091975
Energy: 0.5843018635166813
Energy: 0.7528959750605002
Energy: 0.5987938519070916
Energy: 0.5955391727874377
Energy: 0.5861545501609495
Energy: 0.5984053827476347
Energy: 0.593945401182411
Energy: 0.6235669841290319
Energy: 0.594523503333193
Energy: 0.5943610769642603
Energy: 0.6234521463780185
Energy: 0.5967084732224426
Energy: 0.6195912545150953
Energy: 0.622212761686745
Energy: 0.5919799911382597
Energy: 0.6039072585019284
Energy: 0.6230412046377979
Energy: 0.6059253709547339
Energy: 0.5950588661411162
Energy: 0.6216281574877797
Energy: 0.5713294095276267
Energy: 0.5713915877703961
Energy: 0.6044051954636278
Energy: 0.5825619378209693
Energy: 0.6000422854963827
Energy: 0.6875647916058156
Energy: 0.5721443910556194
Energy: 0.5947026308543127
Energy: 0.5831878436539552
Energy: 0.6039507550048785
Energy: 0.5924053750668727
Energy: 0.6618010513295359
Energy: 0.5904529341451704
Energy: 0.5932231375724889
Energy: 0.5909177748766757
Energy: 0.5893020081788913
Energy: 0.5962265396886814
Energy: 0.6624841276299099
Energy: 0.5880636443372524
Energy: 0.5912250603202943
Energy: 0.608000568918509
Energy: 0.6077065552749384
Energy: 0.5993739958035382
Energy: 0.6623648374074642
Energy: 0.5957499313708255
Energy: 0.5937590130584667
Energy: 0.5988480604387781
Energy: 0.5709335750534722
Energy: 0.5926394818546139
Energy: 0.698755776772133
Energy: 0.5976738308834755
Energy: 0.5945676786110752
Energy: 0.5882986699516342
Energy: 0.5819536860501862
Energy: 0.5937145879785699
Energy: 0.6970000629430557
Energy: 0.6028560751912284
Energy: 0.6018388773217833
Energy: 0.5879441913617051
Energy: 0.5835874644326372
Energy: 0.5741241303961683
Energy: 0.6620704133818506
Energy: 0.5733307563169666
Energy: 0.5945047447242858
Energy: 0.6080227092980243
Energy: 0.6241801280286671
Energy: 0.5968658671058921
Energy: 0.8816706216384101
Energy: 0.6319019839785454
Energy: 0.5975502162684558
Energy: 0.6051202162998167
Energy: 0.6038302179324221
Energy: 0.5980016004325075
Energy: 0.6616843956995733
Energy: 0.5710027334478519
Energy: 0.5716545556863968
Energy: 0.6180037103818193
Energy: 0.5872748687150784
Energy: 0.5945664787263133
Energy: 0.6001266644517174
Energy: 0.5679251561781574
Energy: 0.5680489813690988
Energy: 0.6004992621406807
Energy: 0.5690664292600056
Energy: 0.5756107660923443
Energy: 0.6218944634315215
Energy: 0.5709074567426328
Energy: 0.571235501224149
Energy: 0.6220500552830434
Energy: 0.5835089807292468
Energy: 0.5937779292317448
Energy: 0.6218955004186375
Energy: 0.574534654340757
Energy: 0.5944292188910888
Energy: 0.621974067237573
Energy: 0.5965851461607211
Energy: 0.596697488179836
Energy: 0.6324956460099718
Energy: 0.6065239152008384
Energy: 0.5906298295668253
Energy: 0.584239679863534
Energy: 0.6046896465858649
Energy: 0.5745924596296914
Energy: 0.6100875437621902
Energy: 0.572051346328726
Energy: 0.5907554187049676
Energy: 0.6014724363446983
Energy: 0.5871928227249565
Energy: 0.6059064675384913
Energy: 0.6152819731538135
Energy: 0.5940383583403769
Energy: 0.5897252220911483
Energy: 0.5998787705226956
Energy: 0.6039622280792756
Energy: 0.5663049088076809
Energy: 0.7502279541153868
Energy: 0.595716797493332
Energy: 0.6164513884293696
Energy: 0.588488840961619
Energy: 0.6237329910457935
Energy: 0.5710893896033025
Energy: 0.6577713368427561
Energy: 0.5953430228161306
Energy: 0.6072763938934873
Energy: 0.5948411821592142
Energy: 0.6223568887084996
Energy: 0.5756020051019538
Energy: 0.6543616458122593
Energy: 0.5785807679181194
Energy: 0.594657847190843
Energy: 0.5989163290543794
Energy: 0.5975704689041561
Energy: 0.5960494795698649
Energy: 0.7508959649304217
Energy: 0.5948576768250304
Energy: 0.5913305885926737
Energy: 0.5827110695184251
Energy: 0.5970091519682167
Energy: 0.5713898590539315
Energy: 0.623328727421822
Energy: 0.606046668521236
Energy: 0.6064157359573007
Energy: 0.6239750836949496
Energy: 0.6040092246474902
Energy: 0.6041539462152622
Energy: 0.62218396766059
Energy: 0.5922057546320098
Energy: 0.5925946358581367
Energy: 0.623285109139754
Energy: 0.5918083340331792
Energy: 0.5908492406247288
Energy: 0.5818501755736534
Energy: 0.5851166349234942
Energy: 0.5871603258374908
Energy: 0.581803849856206
Energy: 0.590634391583671
Energy: 0.624369060955773
Energy: 0.6613008016909752
Energy: 0.5928071291569068
Energy: 0.5933954427290049
Energy: 0.6234317832861139
Energy: 0.5923773525572053
Energy: 0.5929832527795865
Energy: 0.6598324032955387
Energy: 0.596710840966201
Energy: 0.5993734631878903
Energy: 0.6065287416510257
Energy: 0.5908072850702948
Energy: 0.59915195275179
Energy: 0.6620259129638609
Energy: 0.60702973657212
Energy: 0.5912791903276345
Energy: 0.6073418262660712
Energy: 0.6088237406672271
Energy: 0.5920106905224661
Energy: 0.6975059204280593
Energy: 0.6077266282995989
Energy: 0.598501210579945
Energy: 0.5880103617432182
Energy: 0.583537927883386
Energy: 0.5739375718353542

minimum gb energy = 0.5660234177303366 eV
minimum distance =  2.55011940637511 Angstroms
sigma value = 57


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

Energy: 0.5652078774291536
Energy: 0.49135666634822484
Energy: 0.3209182762508233
Energy: 0.3151604151569089
Energy: 0.5132401015294438
Energy: 0.5337948125139228
Energy: 0.6481386320770409
Energy: 0.5108528717577224
Energy: 0.5154049510824369
Energy: 0.493457892383371
Energy: 0.5120295276838792
Energy: 0.515741525357695
Energy: 0.6638661886522291
Energy: 0.6496004589341007
Energy: 0.5110904937371014
Energy: 0.5032472244567994
Energy: 0.5185044717911346
Energy: 0.7271231201166147
Energy: 0.6656540585219454
Energy: 0.6618588142228315
Energy: 0.6475734968463289
Energy: 0.6507412857143385
Energy: 0.6568331019105507
Energy: 0.6514089152481094
Energy: 0.6648682563150485
Energy: 0.4255514837368097
Energy: 0.4208008515922297
Energy: 0.6600745487993976
Energy: 0.31615025132284885
Energy: 0.6464291366376574
Energy: 0.6363499914507658
Energy: 0.4304341639241666
Energy: 0.42920039657567544
Energy: 0.6374437789714312
Energy: 0.31928468547106026
Energy: 0.3213721936299136
Energy: 0.6677998090268149
Energy: 0.6415712955625951
Energy: 0.6392659353498004
Energy: 0.6408032719727893
Energy: 0.6511794478809537
Energy: 0.6461839010578179
Energy: 0.6390212955774295
Energy: 0.7412813132111296
Energy: 0.6832484262697059
Energy: 0.6520691141906444
Energy: 0.7489299508802126
Energy: 0.6613803536299786
Energy: 0.7419559526527103
Energy: 0.7333754739491657
Energy: 0.7347990968543514
Energy: 0.760101775251088
Energy: 0.7450986957818717
Energy: 0.7417118291303011
Energy: 0.3204240360357026
Energy: 0.746401592286498
Energy: 0.317980340457547
Energy: 0.32076761218511274
Energy: 0.6731973008461805
Energy: 0.32344874509725036
Energy: 0.3157969597656344
Energy: 0.7508126795950214
Energy: 0.7525414418130174
Energy: 0.31623804670699823
Energy: 0.7469547320647114
Energy: 0.3215762622622287
Energy: 0.7522143555412649
Energy: 0.7378350076463907
Energy: 0.7401031035557979
Energy: 0.7379922511980965
Energy: 0.7448624900738571
Energy: 0.7322410410175224
Energy: 0.65547044650207
Energy: 0.6478805968069417
Energy: 0.6526480567204259
Energy: 0.6373302082766467
Energy: 0.6842703955711313
Energy: 0.7442225178843512
Energy: 0.6823789191190291
Energy: 0.6477176352712297
Energy: 0.6453378332503253
Energy: 0.6623647274998736
Energy: 0.6760711711960301
Energy: 0.6375140180708418
Energy: 0.6483205913695514
Energy: 0.31577653397036237
Energy: 0.3171465084231868
Energy: 0.6601323051122024
Energy: 0.4313779013577169
Energy: 0.4283736975188729
Energy: 0.6550681168214059
Energy: 0.6437054547913473
Energy: 0.6461534593472201
Energy: 0.6515949565587034
Energy: 0.4267292393530699
Energy: 0.648715067581662
Energy: 0.6509643845900553
Energy: 0.5050210183009506
Energy: 0.5042531376958379
Energy: 0.6529499647723775
Energy: 0.5043365381878903
Energy: 0.6592846053356547
Energy: 0.6624892683037559
Energy: 0.4949522687376503
Energy: 0.5160476352436423
Energy: 0.5147725510162952
Energy: 0.51329570520656
Energy: 0.6505899082822525
Energy: 0.5403484181741877
Energy: 0.5117182387218412
Energy: 0.5113193032942217
Energy: 0.3162418269190237
Energy: 0.5036252045452914
Energy: 0.5123533971435182

minimum gb energy = 0.3151604151569089 eV
minimum distance =  2.52859361564641 Angstroms
sigma value = 11


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

Energy: 1.1662369167493019
Energy: 0.4817727454759927
Energy: 0.49601364894549077
Energy: 0.495082546539061
Energy: 0.4817601923550777
Energy: 0.5752164631040224
Energy: 0.4843562378214879
Energy: 0.4818457511115294
Energy: 0.48226372645769167
Energy: 0.4804575078378228
Energy: 0.4788995427486617
Energy: 0.482947478964609
Energy: 0.4906457558106328
Energy: 0.4887202046948198
Energy: 0.48683445428544253
Energy: 0.48464966930918557
Energy: 0.4812048484604468
Energy: 0.48082402648607175
Energy: 0.49106265379945935
Energy: 0.489612492402824
Energy: 0.48922631551091134
Energy: 0.4845566373747668
Energy: 0.48096824902651936
Energy: 0.48424554268244335
Energy: 0.4841122191268612
Energy: 0.5755506354945609
Energy: 0.5279350990067214
Energy: 0.48079753180315465
Energy: 0.5259180503668262
Energy: 0.4824294166055137
Energy: 0.5189087790552461
Energy: 0.482795887100557
Energy: 0.5332237134357606
Energy: 0.4799932313839141
Energy: 0.48513691809917464
Energy: 0.5259690331517258
Energy: 0.5219893429777615
Energy: 0.48204528509681166
Energy: 0.4842681934911776
Energy: 0.4815497424209675
Energy: 0.4824406343578811
Energy: 0.48534398666787953
Energy: 0.49862794830899154
Energy: 0.49715728583802565
Energy: 0.49613098848191733
Energy: 0.4819311710726249
Energy: 0.5018032437736043
Energy: 0.48376437082674645
Energy: 0.5218967075053622
Energy: 0.47946125285290436
Energy: 0.48305752505158434
Energy: 0.48364239604612885
Energy: 0.4828526444510011
Energy: 0.48252644928752725
Energy: 0.6863208254356247
Energy: 0.5308085269987473
Energy: 0.47703327248891064
Energy: 0.48735697763731123
Energy: 0.5262003314719168
Energy: 0.5331169131614188
Energy: 0.5419338602676058
Energy: 0.5257117407496248
Energy: 0.5279699651492067
Energy: 0.5342285474900215
Energy: 0.5250025831889017
Energy: 0.5283045746333912
Energy: 0.6102599951803728
Energy: 0.4766551634535054
Energy: 0.4794978521788946
Energy: 0.48172926129759047
Energy: 0.4764020487881417
Energy: 0.4862461805812976
Energy: 0.5944466909587076
Energy: 0.47768589255160165
Energy: 0.4783358508952759
Energy: 0.48065142222261
Energy: 0.4781224403164934
Energy: 0.47849243703704314
Energy: 0.593679892169343
Energy: 0.574978893633078
Energy: 0.5731672876240489
Energy: 0.5715101502484091
Energy: 0.5718122488176527
Energy: 0.5728211112979722
Energy: 0.5952621061433324
Energy: 0.47882578735479236
Energy: 0.47826730473431933
Energy: 0.4811149211111014
Energy: 0.49585608110044305
Energy: 0.6386809770479602
Energy: 0.7336084444998958
Energy: 0.5758386981091245
Energy: 0.5735877576582283
Energy: 0.57144715216138
Energy: 0.5294657363474841
Energy: 0.5734979377179972
Energy: 0.8131505887522041
Energy: 0.48514992099870374
Energy: 0.4833156268028513
Energy: 0.7040498257064496
Energy: 0.4819471429547404
Energy: 0.4846823285904872
Energy: 0.5523332980232609
Energy: 0.525835393258772
Energy: 0.5265841057514017
Energy: 0.47353020727490924
Energy: 0.52651670968952
Energy: 0.5731590147555461
Energy: 0.5498665680153209
Energy: 0.4819918857191628
Energy: 0.48258500546652666
Energy: 0.48534916834026176
Energy: 0.48422083306868613
Energy: 0.48523732217691257
Energy: 0.6616673874658199
Energy: 0.47986863969876764
Energy: 0.4773616979469073
Energy: 0.48197446233959634
Energy: 0.5842207232720793
Energy: 0.47969432042136423
Energy: 0.733454243650826
Energy: 0.5307851865756524
Energy: 0.5279654486048461
Energy: 0.5261804884052579
Energy: 0.5767316781730426
Energy: 0.5257479284345323
Energy: 0.6853444400377632
Energy: 0.4858203059401036
Energy: 0.4848913770635649
Energy: 0.7087610676738528
Energy: 0.4808856544692256
Energy: 0.4752967946012994
Energy: 0.4867493622128665
Energy: 0.5310716383677947
Energy: 0.529165082403916
Energy: 0.5249924830789278
Energy: 0.5285785507524225
Energy: 0.5276401434243524
Energy: 0.48701347556681873
Energy: 0.4817173157574405
Energy: 0.4823649191768583
Energy: 0.4822976647413731
Energy: 0.4843021543588437
Energy: 0.4794669501713125
Energy: 0.5717783217498759
Energy: 0.4809603762347646
Energy: 0.4811541186056257
Energy: 0.48314067070862576
Energy: 0.4822190797682798
Energy: 0.48681789239597123
Energy: 0.5461919749792156
Energy: 0.479516535920182
Energy: 0.4826238435412922
Energy: 0.5250467779729632
Energy: 0.4793086771069939
Energy: 0.4828704819422437

minimum gb energy = 0.47353020727490924 eV
minimum distance =  2.57959438933322 Angstroms
sigma value = 41


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

Energy: 1.0937227336345208
Energy: 0.6884910028876958
Energy: 0.5264116932822632
Energy: 0.5995130346629582
Energy: 0.5250665449996401
Energy: 0.5298697829942323
Energy: 0.5188465130180893
Energy: 0.5114402973527273
Energy: 0.5064811237134371
Energy: 0.510583237565843
Energy: 0.5130082207837162
Energy: 0.5076428212702355
Energy: 0.5199195500398746
Energy: 0.5068876746529886
Energy: 0.5075720519530084
Energy: 0.5076492987709902
Energy: 0.5064623332384681
Energy: 0.5080280632185415
Energy: 0.5197460024696626
Energy: 0.509157060623709
Energy: 0.5078244944174705
Energy: 0.5091283574527645
Energy: 0.508938131390865
Energy: 0.508888979149018
Energy: 0.5183911761442738
Energy: 0.5098165348301765
Energy: 0.5093681040664927
Energy: 0.5102833498784729
Energy: 0.5137003934538924
Energy: 0.5110723791552951
Energy: 0.5723363294052366
Energy: 0.5115126864282122
Energy: 0.5117039670662731
Energy: 0.5092759358942752
Energy: 0.5117999588428209
Energy: 0.5109182433571294
Energy: 0.5732390479950574
Energy: 0.5082593171184332
Energy: 0.508574538035823
Energy: 0.5096959684603719
Energy: 0.5091882533650981
Energy: 0.5081562831329699
Energy: 0.5388598807470695
Energy: 0.5423089852574581
Energy: 0.5407519500104575
Energy: 0.5009080702612764
Energy: 0.5346572186226983
Energy: 0.5216844921429158
Energy: 0.5738600473578538
Energy: 0.5082806310022517
Energy: 0.5075302450784472
Energy: 0.5122227079719857
Energy: 0.5078009252168261
Energy: 0.5073613246334574
Energy: 0.7758999313512246
Energy: 0.5067192923355224
Energy: 0.5071490075214756
Energy: 0.6919378531977672
Energy: 0.5065985068920004
Energy: 0.5092373531248295
Energy: 0.5745224639383374
Energy: 0.507889187630461
Energy: 0.5070475704005596
Energy: 0.5138738073393802
Energy: 0.5122931975127373
Energy: 0.5069071484252179
Energy: 0.6279404581869453
Energy: 0.49996872062831166
Energy: 0.49931495395685727
Energy: 0.5129514246396958
Energy: 0.49949910567515243
Energy: 0.5099385158823283
Energy: 0.5197544056155396
Energy: 0.499094840480204
Energy: 0.4990828082569484
Energy: 0.5138021956112426
Energy: 0.498134200756306
Energy: 0.49949623465548565
Energy: 0.522087102699498
Energy: 0.5064744150200965
Energy: 0.5074478715921463
Energy: 0.5092368803269415
Energy: 0.508909418893665
Energy: 0.5078109360136589
Energy: 0.5559410095954572
Energy: 0.5353429614881916
Energy: 0.5352514238839466
Energy: 0.5350240318911074
Energy: 0.5072820952541782
Energy: 0.5351036543383494
Energy: 0.5195861389947776
Energy: 0.5094732023229049
Energy: 0.5086166546648397
Energy: 0.5092739347510397
Energy: 0.5129908412879078
Energy: 0.5081819628498698
Energy: 1.0126139869093849
Energy: 0.5157440408311345
Energy: 0.5029667045956289
Energy: 0.4992257720851173
Energy: 0.5092013636762824
Energy: 0.500094582264103
Energy: 0.5390728005457349
Energy: 0.5106238319567005
Energy: 0.5113949630118882
Energy: 0.5070968897929334
Energy: 0.5108874690199287
Energy: 0.49900703899192284
Energy: 0.5204835982393129
Energy: 0.5071619916946584
Energy: 0.5072149527016452
Energy: 0.5100538764272717
Energy: 0.5074118535097293
Energy: 0.5073228990822538
Energy: 0.5188096296513767
Energy: 0.5088437617462773
Energy: 0.5085436611911548
Energy: 0.5068555198798184
Energy: 0.5080328505446706
Energy: 0.5076596539389546
Energy: 0.5190636388843934
Energy: 0.5077475051496778
Energy: 0.5074173337385224
Energy: 0.5112488301469362
Energy: 0.5092887245633408
Energy: 0.5074406952635032
Energy: 0.8509812233738536
Energy: 0.5090679675155912
Energy: 0.5490548272611551
Energy: 0.5168862170174024
Energy: 0.5129044316535138
Energy: 0.547947845480667
Energy: 0.5736895698585476
Energy: 0.5078722896828146
Energy: 0.5085968042055021
Energy: 0.5112642306303712
Energy: 0.5087398146303326
Energy: 0.5082006697059075
Energy: 0.5388549957296902
Energy: 0.5356651090597349
Energy: 0.5070159791172053
Energy: 0.501637017856128
Energy: 0.5351497467897877
Energy: 0.5002476884185717
Energy: 0.5735532168950114
Energy: 0.5085388014274006
Energy: 0.5070240944390436
Energy: 0.5104157267196112
Energy: 0.5094474866434171
Energy: 0.5078524140680001
Energy: 0.5743243344892318
Energy: 0.5080242615904335
Energy: 0.5075456002149545
Energy: 0.513717289763445
Energy: 0.5124910707290268
Energy: 0.5070004749509974
Energy: 0.7754497074549386
Energy: 0.5067378884427054
Energy: 0.5079209952493997
Energy: 0.5121768370595774
Energy: 0.5084962974764058
Energy: 0.5079650811254658
Energy: 0.5721287099084348
Energy: 0.5100194732758316
Energy: 0.5139249463519577
Energy: 0.5122900252155659
Energy: 0.500204808667909
Energy: 0.5134899863307233
Energy: 0.5209220629913588
Energy: 0.4996778139272215
Energy: 0.4995211911157022
Energy: 0.5113579275503773
Energy: 0.4993207491736414
Energy: 0.49926675427222406
Energy: 0.6202061765538645
Energy: 0.5128606111712348
Energy: 0.5140358848479668
Energy: 0.5083941980394756
Energy: 0.5127912494566532
Energy: 0.5135109168898179
Energy: 0.5205892601867407
Energy: 0.5069814602992767
Energy: 0.506974345837508
Energy: 0.5089945355299992
Energy: 0.5063579437615484
Energy: 0.5066930753555736
Energy: 0.5203271155339312
Energy: 0.5083747058203352
Energy: 0.5077374518061574
Energy: 0.5073635597662083
Energy: 0.5108430179223632
Energy: 0.5076239573581393
Energy: 1.0113888676347198
Energy: 0.5096281745022385
Energy: 0.5035913218853416
Energy: 0.5110191939494922
Energy: 0.5096629967978334
Energy: 0.50392272042431

minimum gb energy = 0.498134200756306 eV
minimum distance =  2.5520427628543 Angstroms
sigma value = 33


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

Energy: 0.7084469840484314
Energy: 0.5494632548146273
Energy: 0.5628334491391098
Energy: 0.5671556850737887
Energy: 0.6371485227692245
Energy: 0.5651697675877405
Energy: 0.5638450277292967
Energy: 0.5431017232823256
Energy: 0.5438612885057533
Energy: 0.5514544221127052
Energy: 0.5452822893182836
Energy: 0.5443231811382607
Energy: 0.5635188221202629
Energy: 0.5434636363355908
Energy: 0.5437177233593129
Energy: 0.5428576707967651
Energy: 0.543016889759423
Energy: 0.5442423524203747
Energy: 0.5635084770020001
Energy: 0.5467588902987651
Energy: 0.5444374657691278
Energy: 0.5428688547754789
Energy: 0.5442422987203754
Energy: 0.5426169346426255
Energy: 0.5623916500817525
Energy: 0.5522076097167717
Energy: 0.5492712791114311
Energy: 0.5460755444416501
Energy: 0.557364459487119
Energy: 0.5439590240383444
Energy: 0.5947570909461942
Energy: 0.5521202080193688
Energy: 0.5537763281159481
Energy: 0.5483907058808227
Energy: 0.5520739339245629
Energy: 0.5529153849545692
Energy: 0.5962692124776307
Energy: 0.5555652757551838
Energy: 0.5470235705058011
Energy: 0.5501477175465236
Energy: 0.5452740206695909
Energy: 0.5464342743620068
Energy: 0.5893035705043472
Energy: 0.5743409545430052
Energy: 0.559388833553436
Energy: 0.5335642588439656
Energy: 0.5736606243840098
Energy: 0.5610685894786009
Energy: 0.5955402201312908
Energy: 0.5397667048053545
Energy: 0.5408212725432433
Energy: 0.5583177597918925
Energy: 0.537595978865154
Energy: 0.5403704968876991
Energy: 0.6349689447794141
Energy: 0.5427789291615327
Energy: 0.5430811503703629
Energy: 0.5443749448695594
Energy: 0.5425545647423159
Energy: 0.5429294237638191
Energy: 0.5949326942838299
Energy: 0.5460902665404463
Energy: 0.547204936001926
Energy: 0.5459405350284563
Energy: 0.5373577151355858
Energy: 0.547189783543913
Energy: 0.5931123035875606
Energy: 0.5452491404873359
Energy: 0.5336244239205356
Energy: 0.5409449901436726
Energy: 0.5438537759074571
Energy: 0.5344892169753751
Energy: 0.601145178708383
Energy: 0.5323346219954713
Energy: 0.5333765593502693
Energy: 0.5393302093841419
Energy: 0.5319310596775765
Energy: 0.5337602062890616
Energy: 0.5708490203665946
Energy: 0.5459360293742279
Energy: 0.5470341119532645
Energy: 0.543698572873069
Energy: 0.5450685263338512
Energy: 0.5482077739897375
Energy: 0.5325236657112956
Energy: 0.5429953395698649
Energy: 0.5427732477833034
Energy: 0.5435071031559525
Energy: 0.5432507956031851
Energy: 0.5426308641920751
Energy: 0.5655458718593711
Energy: 0.5468401421557356
Energy: 0.5444483727087917
Energy: 0.5503136102462028
Energy: 0.5502206410017121
Energy: 0.5548413862484399
Energy: 0.9174441360471778
Energy: 0.5356198484570897
Energy: 0.5448104867001917
Energy: 0.552454486234361
Energy: 0.5377843377356839
Energy: 0.5539363002866314
Energy: 0.5977352213568417
Energy: 0.5374482049882515
Energy: 0.5369943897325758
Energy: 0.5543454101689577
Energy: 0.53798862096828
Energy: 0.5599353132874185
Energy: 0.5630148440979911
Energy: 0.5343225023930613
Energy: 0.5340548599286146
Energy: 0.5435435720525623
Energy: 0.5349241204861089
Energy: 0.5431516894149605
Energy: 0.5367442195978297
Energy: 0.5348319424686897
Energy: 0.5328330325026548
Energy: 0.5380904285924578
Energy: 0.5348653878199978
Energy: 0.5461343444053312
Energy: 0.5369655715581751
Energy: 0.5393050178790906
Energy: 0.5396590172666016
Energy: 0.5376947311666597
Energy: 0.5494358143895823
Energy: 0.5392351951551618
Energy: 0.603600755105853
Energy: 0.5427544633234288
Energy: 0.5426796474336346
Energy: 0.5749267362479088
Energy: 0.5424864001077458
Energy: 0.5431798007531453
Energy: 0.5645924011439685
Energy: 0.5463614244634164
Energy: 0.5467988993883689
Energy: 0.5365125915853546
Energy: 0.5483362826140323
Energy: 0.53987544650743
Energy: 0.5938218972389603
Energy: 0.5430740522971564
Energy: 0.5342724430338145
Energy: 0.5320854394742909
Energy: 0.5429238166028845
Energy: 0.5340554834670183
Energy: 0.5914494477839022
Energy: 0.5482218771880639
Energy: 0.5506758837462699
Energy: 0.5521877116823629
Energy: 0.5439304382133368
Energy: 0.5518384018799871
Energy: 0.5635823704447703
Energy: 0.5434446536243664
Energy: 0.543945560915421
Energy: 0.5472290075138287
Energy: 0.5434804905872807
Energy: 0.5428353011458321
Energy: 0.5629377143115417
Energy: 0.5446951892337069
Energy: 0.5463012350223703
Energy: 0.5426995559725406
Energy: 0.5432600214623475
Energy: 0.5437609680591358
Energy: 0.5624400428897025
Energy: 0.5433003611510022
Energy: 0.5431814463299177
Energy: 0.5474788272621002
Energy: 0.5508595350172156
Energy: 0.5429885293394956
Energy: 0.6098707615101323
Energy: 0.5535002170920708
Energy: 0.5533187152267725
Energy: 0.5363836699470073
Energy: 0.5532458056772679
Energy: 0.5531045199220924
Energy: 0.5950993893212458
Energy: 0.5408221318390501
Energy: 0.5410561984637552
Energy: 0.5481976591259566
Energy: 0.5394408882274209
Energy: 0.5475021755204329
Energy: 0.5871282742023703
Energy: 0.575448804232369
Energy: 0.558772452782171
Energy: 0.5336737220634595
Energy: 0.5735619586752694
Energy: 0.5605440503666097
Energy: 0.5965228471143325
Energy: 0.5392556841593797
Energy: 0.539733001287845
Energy: 0.5501032175253049
Energy: 0.537064177985996
Energy: 0.5401368980607358
Energy: 0.6352306133787431
Energy: 0.5432037187864127
Energy: 0.5493089483620437
Energy: 0.5484883931652783
Energy: 0.5437214738114267
Energy: 0.5434093294941404
Energy: 0.6349000073217455
Energy: 0.5497094902944154
Energy: 0.5494688501608481
Energy: 0.5481364931339521
Energy: 0.543764590431958
Energy: 0.5430694874373605
Energy: 0.5962343276338471
Energy: 0.5422899598693822
Energy: 0.5348183233684022
Energy: 0.536144093611684
Energy: 0.5408919288026401
Energy: 0.540305399968095
Energy: 0.6020580379144771
Energy: 0.5323198565502931
Energy: 0.5329512728902968
Energy: 0.540393091933771
Energy: 0.5319376586659578
Energy: 0.5339172473293607
Energy: 0.5677818511421219
Energy: 0.543811489415619
Energy: 0.5550886824504571
Energy: 0.5502969439668917
Energy: 0.5435926191360071
Energy: 0.545047607221354
Energy: 0.5833684325474093
Energy: 0.5432381172247788
Energy: 0.5430036310124091
Energy: 0.58384537489363
Energy: 0.543348739244162
Energy: 0.5437286050183371
Energy: 0.5679719618437329
Energy: 0.5527543898260007
Energy: 0.5474761118692871
Energy: 0.5453158282509633
Energy: 0.5435929767757901
Energy: 0.5456031372048261
Energy: 0.9173434652549671
Energy: 0.5377449837516808
Energy: 0.5392303544961806
Energy: 0.5515149278865938
Energy: 0.5375434032201963
Energy: 0.5522075918153211
Energy: 0.6357869554994591
Energy: 0.5387959796236742
Energy: 0.5394413728302172
Energy: 0.5495074774873885
Energy: 0.5370562802160741
Energy: 0.5408855206936549
Energy: 0.5716320564450775
Energy: 0.5347260006902219
Energy: 0.5338604197146166
Energy: 0.5437699133884156
Energy: 0.5368796601358766
Energy: 0.5490341233979472
Energy: 0.5661815211626676
Energy: 0.534234428868414
Energy: 0.5349563672704475
Energy: 0.5430810873033209
Energy: 0.533959809139391
Energy: 0.5326935277336151
Energy: 0.5357609656863741
Energy: 0.5388435805620913
Energy: 0.5394181984740521
Energy: 0.5365377231096728
Energy: 0.5496286246697025
Energy: 0.5405143507986692
Energy: 0.6020209028707771
Energy: 0.5427217532995187
Energy: 0.5711889504173552
Energy: 0.5734719762981916
Energy: 0.542598830091645
Energy: 0.5719919264858251
Energy: 0.5664002416541211
Energy: 0.5456464673804893
Energy: 0.5467542080716425
Energy: 0.538775096781954
Energy: 0.5500888677934348
Energy: 0.5475159937475284
Energy: 0.6761991445738601
Energy: 0.5379488399108956
Energy: 0.5346911977692703
Energy: 0.5319106319980724
Energy: 0.5376212360056224
Energy: 0.533485127186765

minimum gb energy = 0.5319106319980724 eV
minimum distance =  2.55529577447612 Angstroms
sigma value = 67


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

Energy: 0.8296771335944271
Energy: 0.5755436269378041
Energy: 0.5974243537600746
Energy: 0.614700905503023
Energy: 0.5746570286888951
Energy: 0.5970595668786008
Energy: 0.6047388765018624
Energy: 0.5738668278749497
Energy: 0.5731417294488569
Energy: 0.5715982948500198
Energy: 0.5724751923170072
Energy: 0.5717146055997506
Energy: 0.5929121038279562
Energy: 0.555620067717968
Energy: 0.5672703353034431
Energy: 0.5684732374265942
Energy: 0.552325286414965
Energy: 0.566953115645655
Energy: 0.5927648308014999
Energy: 0.5682959250200637
Energy: 0.5672797104398539
Energy: 0.5676818373568554
Energy: 0.5689614601484764
Energy: 0.567712147003017
Energy: 0.6035549895239939
Energy: 0.5728255771578449
Energy: 0.5729798608228192
Energy: 0.5769310212021135
Energy: 0.5728688961457301
Energy: 0.574721661241267
Energy: 0.6042321105780946
Energy: 0.5765687232141155
Energy: 0.5751062855352269
Energy: 0.5782431043442979
Energy: 0.5756366790299138
Energy: 0.5752007715928307
Energy: 0.6308436007474848
Energy: 0.5766157408349529
Energy: 0.5735472311908653
Energy: 0.5494383583585833
Energy: 0.5724060568395822
Energy: 0.5724905558735607

minimum gb energy = 0.5494383583585833 eV
minimum distance =  2.58842400050988 Angstroms
sigma value = 3


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

Energy: 0.8806989978731073
Energy: 0.6559364049883409
Energy: 0.627167466084223
Energy: 0.6808206083446365
Energy: 1.117943392887093
Energy: 0.6242051975107182
Energy: 0.6798549694881425
Energy: 0.6786343520333723
Energy: 0.6686489858658592
Energy: 0.6736185378077678
Energy: 0.681228906789343
Energy: 0.6665286611573767
Energy: 0.6904542640271849
Energy: 0.6654581616791542
Energy: 0.66551245645353
Energy: 0.6884956016623733
Energy: 0.6572978120248574
Energy: 0.6851113120178977
Energy: 0.6520687559492904
Energy: 0.6648176231005211
Energy: 0.6646501681539865
Energy: 0.6516999487694823
Energy: 0.6665847895670436
Energy: 0.6477560040726373
Energy: 0.6306246931918693
Energy: 0.632406126280153
Energy: 0.6334218317015587
Energy: 0.6306409056870721
Energy: 0.6355622398970433
Energy: 0.6373006640598586
Energy: 0.6343766276262855
Energy: 0.6431408292740682
Energy: 0.6393343075936311
Energy: 0.6310727182405461
Energy: 0.6379798473396259
Energy: 0.6369325057158494
Energy: 0.64690153532673
Energy: 0.6308308753005486
Energy: 0.6408832640179376
Energy: 0.6413517810693862
Energy: 0.6303380159393158
Energy: 0.6389006699736847
Energy: 0.8494560863794374
Energy: 0.6719206602532013
Energy: 0.6682786147461568
Energy: 0.6454341094815492
Energy: 0.684549096256689
Energy: 0.685340707193864
Energy: 0.6506578124669765
Energy: 0.6468092810111171
Energy: 0.6306045916847224
Energy: 0.6436598489000852
Energy: 0.6484402171901315
Energy: 0.6675130643851874
Energy: 0.6345685936369742
Energy: 0.7058964585463696
Energy: 0.6618876723065581
Energy: 0.6350578967097961
Energy: 0.7052647599325963
Energy: 0.6625546532443997
Energy: 0.6624936104822341
Energy: 0.6274071929158443
Energy: 0.6267572131350915
Energy: 0.6535081593209138
Energy: 0.6299586659776187
Energy: 0.6503073973218332
Energy: 0.6678940223822507
Energy: 0.6284197829358267
Energy: 0.6304817385098456
Energy: 0.6375491204868843
Energy: 0.6317757518667553
Energy: 0.6380404881846059
Energy: 0.6521079332568339
Energy: 0.6313724985322494
Energy: 0.6486266544969223
Energy: 0.6317425782239511
Energy: 0.6482779626151
Energy: 0.6442393073292831
Energy: 0.6949766867614957
Energy: 0.6506792108987244
Energy: 0.6532853981502758
Energy: 0.6534347298403144
Energy: 0.649406113377501
Energy: 0.6525320934198959
Energy: 0.6831696234235521
Energy: 0.6913495281570395
Energy: 0.6956056668558807
Energy: 0.6400745439175043
Energy: 0.6910498548830715
Energy: 0.6916875909726008
Energy: 0.6715805834261206
Energy: 0.6822029241179928
Energy: 0.671271930404111
Energy: 0.6782999416359883
Energy: 0.6786117330368233
Energy: 0.6722606284890019
Energy: 0.7459618687762662
Energy: 0.6779078124819733
Energy: 0.6765991330037571
Energy: 0.6584668796725288
Energy: 0.6779549394604267
Energy: 0.6386525596386623
Energy: 0.6506386728373601
Energy: 0.6721030736939296
Energy: 0.6769908978174003
Energy: 0.66386170168786
Energy: 0.6442636322672144
Energy: 0.6223437616321721
Energy: 0.7405317171574454
Energy: 0.6590513678188687
Energy: 0.6687772745382812
Energy: 0.6845239158733166
Energy: 0.667675306181193
Energy: 0.677801204528478
Energy: 0.7089742889049744
Energy: 0.6326773468852064
Energy: 0.6781133321984979
Energy: 0.6796193978602599
Energy: 0.6365824964011301
Energy: 0.6992071227260139
Energy: 0.6364767916202778
Energy: 0.6223007213663444
Energy: 0.6211109164916319
Energy: 0.62928125246733
Energy: 0.6289094018767478
Energy: 0.6399005378105554
Energy: 0.641950814322597
Energy: 0.6231836478957086
Energy: 0.622429278749313
Energy: 0.6250265881119335
Energy: 0.6277075405294158
Energy: 0.6257541613544865
Energy: 0.6655069929700209
Energy: 0.6528916377209231
Energy: 0.6469374802770614
Energy: 0.6540922864444169
Energy: 0.6538067378355541
Energy: 0.6481156601971497
Energy: 0.6594283846317747
Energy: 0.6440379802670552
Energy: 0.6567496205311628
Energy: 0.6595424824820546
Energy: 0.6558733219384966
Energy: 0.6520767039716511
Energy: 0.6370945114974743
Energy: 0.641319473958203
Energy: 0.6450668779299387
Energy: 0.6390770007680306
Energy: 0.6627480795945571
Energy: 0.6360946802154933
Energy: 0.7607007737066382
Energy: 0.6667855865283466
Energy: 0.6665883961792487
Energy: 0.6461962632475817
Energy: 0.6754481513408149
Energy: 0.6616756311660468
Energy: 0.6273100045317459
Energy: 0.6585547067875106
Energy: 0.6682922662843416
Energy: 0.6606417949148224
Energy: 0.6476037175518607
Energy: 0.6483611728574691
Energy: 0.6395380940479535
Energy: 0.6436546054944626
Energy: 0.6464523320386264
Energy: 0.6432075338794163
Energy: 0.6476059554250927
Energy: 0.6366533123537756
Energy: 0.6622841988442081
Energy: 0.66614593259676
Energy: 0.6735649085319241
Energy: 0.688525838572371
Energy: 0.6573778224492702
Energy: 0.6391574833799876
Energy: 0.6760421284099499
Energy: 0.6488678468276533
Energy: 0.6503862023928233
Energy: 0.6734867887973753
Energy: 0.6535605303255163
Energy: 0.6667485977144318
Energy: 0.6415164841473663
Energy: 0.6399011238245068
Energy: 0.6393327543611488
Energy: 0.6353395549537968
Energy: 0.6407243032500022
Energy: 0.6374153692823131
Energy: 0.637335001940896
Energy: 0.6382153894843952
Energy: 0.6399863744486579
Energy: 0.6454046799230063
Energy: 0.6396547960411988
Energy: 0.6362604459830998
Energy: 0.7455496163891339
Energy: 0.6336924159234463
Energy: 0.640029975967349
Energy: 0.6942544728604629
Energy: 0.6333539164164462
Energy: 0.657436465514482
Energy: 0.6352651545735574
Energy: 0.6304693581663732
Energy: 0.6331341142352881
Energy: 0.6549366844810649
Energy: 0.6293534620449018
Energy: 0.6349587822724576
Energy: 0.655471448107566
Energy: 0.6683802354645274
Energy: 0.6492485427064947
Energy: 0.6398279976270191
Energy: 0.653938925844552
Energy: 0.6398139199283704
Energy: 0.6758609696666711
Energy: 0.7043923450755534
Energy: 0.7049269343754645
Energy: 0.6280577288364165
Energy: 0.7039543212655764
Energy: 0.6636623933637238
Energy: 0.6684768595574351
Energy: 0.649209664147014
Energy: 0.6487697090380771
Energy: 0.6291239413087516
Energy: 0.6486969181964517
Energy: 0.6334029057162869
Energy: 0.6557085202338253
Energy: 0.6278948854327824
Energy: 0.6306684901053594
Energy: 0.6244569157255339
Energy: 0.6297524132106648
Energy: 0.685405932760652
Energy: 0.7003773499254159
Energy: 0.6519047247211573
Energy: 0.6604404806220441
Energy: 0.6474191160965808
Energy: 0.6551056226489759
Energy: 0.6544674186747685
Energy: 0.6802877414204032
Energy: 0.6807222562101025
Energy: 0.6447817855178253
Energy: 0.6399661434049608
Energy: 0.7161449272589422
Energy: 0.6926238495018046
Energy: 0.7009760655399486
Energy: 0.6652736453026088
Energy: 0.6659234972308303
Energy: 0.6750514254279872
Energy: 0.657902454372647
Energy: 0.6708787426507873
Energy: 0.691093360760168
Energy: 0.6414045317386737
Energy: 0.6419989168205879
Energy: 0.6681187897704585
Energy: 0.6448449892164442
Energy: 0.654678803087148
Energy: 0.7306887208036702
Energy: 0.666900668853454
Energy: 0.666640301602809
Energy: 0.7060018648605599
Energy: 0.6659942729794153
Energy: 0.6717709939996631
Energy: 0.6477968652372077
Energy: 0.6650152242417406
Energy: 0.6688984532044199
Energy: 0.6431951024225688
Energy: 0.6802649637798021
Energy: 0.6694128751724786
Energy: 0.8210541154382542
Energy: 0.6678432189567628
Energy: 0.7119480155467328
Energy: 0.7082143904193888
Energy: 0.6686107373557765
Energy: 0.663731365388545
Energy: 0.6489464753267845
Energy: 0.631928914952594
Energy: 0.6279387421417758
Energy: 0.6187186556999777
Energy: 0.6350752403427792
Energy: 0.6273739470281138
Energy: 0.6330120666067808
Energy: 0.6210476309282942
Energy: 0.6274066418084474
Energy: 0.6180604433955524
Energy: 0.625044518188245
Energy: 0.6151432025647854
Energy: 0.630559272967328
Energy: 0.616194012561706
Energy: 0.6171107684267075
Energy: 0.6263123366547891
Energy: 0.6207518852447321
Energy: 0.6216898078769921
Energy: 0.6359660659340063
Energy: 0.6977296591274206
Energy: 0.6579917909418307
Energy: 0.6314193567531311
Energy: 0.6794122268128572
Energy: 0.6255283508526341
Energy: 0.7138790963887975
Energy: 0.7010192277508142
Energy: 0.6941728097507027
Energy: 0.6509213942621014
Energy: 0.7032583763876294
Energy: 0.682128705496484
Energy: 0.6660887343079406
Energy: 0.6704951007775715
Energy: 0.6549818251785089
Energy: 0.6604772494961515
Energy: 0.6672311767296165
Energy: 0.6693563473629339

minimum gb energy = 0.6151432025647854 eV
minimum distance =  2.51947023490819 Angstroms
sigma value = 81


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

Energy: 1.424178357088851
Energy: 0.6694928597252402
Energy: 0.6313702258342658
Energy: 0.6325663161827574
Energy: 0.6785080080620236
Energy: 0.6303538980217771
Energy: 0.6423717746643859
Energy: 0.6441780024121923
Energy: 0.6193957784557611
Energy: 0.6509095683286861
Energy: 0.638799237806276
Energy: 0.6230596988980965
Energy: 0.6675385479193781
Energy: 0.606653364574996
Energy: 0.6055904640117633
Energy: 0.6497957958066914
Energy: 0.6087778343219968
Energy: 0.6550566199729612
Energy: 0.6418319139220636
Energy: 0.60728135163845
Energy: 0.6128603452038554
Energy: 0.6417864922034757
Energy: 0.6096892100827429
Energy: 0.6147051137723542
Energy: 0.6452179268863524
Energy: 0.6139692577110316
Energy: 0.6152882275332148
Energy: 0.632479958620327
Energy: 0.6141886495266533
Energy: 0.6214012157887869
Energy: 0.6485034188691097
Energy: 0.6255837174754185
Energy: 0.6230831002531858
Energy: 0.6241773413299205
Energy: 0.6530296563438339
Energy: 0.623367833192215
Energy: 0.6304762119368877
Energy: 0.6260106939824387
Energy: 0.627619083327164
Energy: 0.6739573245081232
Energy: 0.6243737844364704
Energy: 0.6267083496211353
Energy: 0.8141575220739732
Energy: 0.6841536361932642
Energy: 0.6893469913572018
Energy: 0.6053522667845476
Energy: 0.6810615442749306
Energy: 0.6036910327884045
Energy: 0.6536478896277876
Energy: 0.6101688296016327
Energy: 0.6095089756788672
Energy: 0.6820185159199004
Energy: 0.6115393322168708
Energy: 0.6086721742088483
Energy: 0.7021114594036078
Energy: 0.6224223888985747
Energy: 0.6213678292787851
Energy: 0.6870374631463436
Energy: 0.6081770212374275
Energy: 0.6214396869947625
Energy: 0.6393619732478378
Energy: 0.6151878913510487
Energy: 0.6167290413310882
Energy: 0.6220317933120834
Energy: 0.6116379812032118
Energy: 0.6088546972045595
Energy: 0.655534372528927
Energy: 0.6240415854309072
Energy: 0.623781507384219
Energy: 0.6197122106438384
Energy: 0.6120632425636312
Energy: 0.6243598559863819
Energy: 0.6556863282047304
Energy: 0.6262946436625695
Energy: 0.6258985530354371
Energy: 0.6083683270781438
Energy: 0.6254971814785293
Energy: 0.6050255641630952
Energy: 0.6669437978450736
Energy: 0.6287214919773099
Energy: 0.6355088578950048
Energy: 0.623820022068228
Energy: 0.6342748769058622
Energy: 0.6273089901468065
Energy: 0.7085275742607225
Energy: 0.6442914195459227
Energy: 0.6390833072505054
Energy: 0.6364218441771989
Energy: 0.6441248081175689
Energy: 0.634768321309184
Energy: 0.662123256446994
Energy: 0.6439765788376249
Energy: 0.6438134165712603
Energy: 0.6363387057720198
Energy: 0.6847349560792834
Energy: 0.6268944004541732
Energy: 0.7068894094582765
Energy: 0.6067121669693819
Energy: 0.6067277655323308
Energy: 0.6577281505127416
Energy: 0.6073233973780338
Energy: 0.6061220054153084
Energy: 0.6161288037634595
Energy: 0.6097415128600284
Energy: 0.6128435383440517
Energy: 0.6102601126299944
Energy: 0.6780056857959657
Energy: 0.6155941569853949
Energy: 0.6174505469572594
Energy: 0.622298129880476
Energy: 0.6287114261182711
Energy: 0.6245736498158596
Energy: 0.6232225686968154
Energy: 0.6302469451681139
Energy: 0.6183011831337185
Energy: 0.6247243921159161
Energy: 0.6271765244537282
Energy: 0.6135673513851022
Energy: 0.6218791677365569
Energy: 0.6263919769674184
Energy: 0.6157985408380047
Energy: 0.6112401459480346
Energy: 0.6163988826453007
Energy: 0.6138939347499742
Energy: 0.6111480382551077
Energy: 0.6152967823117733
Energy: 0.6553456320774004
Energy: 0.6034561405644205
Energy: 0.6034924363206895
Energy: 0.621840878317364
Energy: 0.6036852853267484
Energy: 0.6036907089692357
Energy: 0.6542022102384016
Energy: 0.6325501199066842
Energy: 0.628532788841382
Energy: 0.6434670280411183
Energy: 0.6340240197543435
Energy: 0.6313012839726845
Energy: 0.6527738158700209
Energy: 0.631498468788405
Energy: 0.6388781843928832
Energy: 0.6444515971801537
Energy: 0.6320899523472442
Energy: 0.6401973448557395
Energy: 0.6566053431009966
Energy: 0.6356630924023864
Energy: 0.6341034837981029
Energy: 0.6731007983885132
Energy: 0.6317803573197628
Energy: 0.6427270019852126
Energy: 0.7461279656678501
Energy: 0.6846518430010858
Energy: 0.6850199867295808
Energy: 0.6085028779837611
Energy: 0.6872185509766199
Energy: 0.6848382712262575
Energy: 0.7458894414555333
Energy: 0.6845002436551458
Energy: 0.6259126214787335
Energy: 0.6097713480566369
Energy: 0.6845449871541087
Energy: 0.6268158933489804
Energy: 0.6342896003917063
Energy: 0.6125564416320681
Energy: 0.6062987686987636
Energy: 0.6835447774454686
Energy: 0.6104484660880599
Energy: 0.6301804559257514
Energy: 0.6571399315216412
Energy: 0.621103914564282
Energy: 0.6204794280667508
Energy: 0.6408815308877872
Energy: 0.6184579496680044
Energy: 0.6206203079493668
Energy: 0.646989072196658
Energy: 0.6102942111497585
Energy: 0.6104035048340041
Energy: 0.6060014769780767
Energy: 0.6105827930300012
Energy: 0.611011298119103
Energy: 0.6572504871589714
Energy: 0.6535675423957339
Energy: 0.6273907040731097
Energy: 0.6053656220451796
Energy: 0.65915249654425
Energy: 0.603852847300053
Energy: 0.638322220608562
Energy: 0.6255835084075765
Energy: 0.627368866895043
Energy: 0.6237986711680835
Energy: 0.6274148425941548
Energy: 0.6265161031044689
Energy: 0.7053912590725449
Energy: 0.6248324922736928
Energy: 0.6217457521318613
Energy: 0.6243914450144319
Energy: 0.6332991626737907
Energy: 0.621406656543316
Energy: 0.6518784672902702
Energy: 0.6242287321784799
Energy: 0.6229619619174688
Energy: 0.6268433163907926
Energy: 0.6272271125916745
Energy: 0.6248858662628702
Energy: 0.6500016439775633
Energy: 0.6345739451839038
Energy: 0.6155881980196689
Energy: 0.6386862726868082
Energy: 0.6706752174325672
Energy: 0.6166054520362706
Energy: 0.7138651279524145
Energy: 0.6074084635010526
Energy: 0.6069823153783431
Energy: 0.6739502135721176
Energy: 0.6057126459710994
Energy: 0.7082002610922892
Energy: 0.6422694188735192
Energy: 0.6459561732428344
Energy: 0.6185383809267334
Energy: 0.6499257564051532
Energy: 0.6696100147717604
Energy: 0.620795714646023
Energy: 0.7729180825279084
Energy: 0.6712900162593851
Energy: 0.6325191156874865
Energy: 0.6198549862722506
Energy: 0.6730105590000347
Energy: 0.6313851392592372

minimum gb energy = 0.6034561405644205 eV
minimum distance =  2.54566320371004 Angstroms
sigma value = 43


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

Energy: 0.9445592419329448
Energy: 0.6632072989987854
Energy: 0.6147198290163194
Energy: 0.6199675096400815
Energy: 0.6502065176814045
Energy: 0.6205699866139763
Energy: 0.6033299797661859
Energy: 0.6068533766068146
Energy: 0.6078296555431164
Energy: 0.6607280242597776
Energy: 0.60386219725878
Energy: 0.5876693806972431
Energy: 0.6042957967128936
Energy: 0.653244846998267
Energy: 0.6635808022345312
Energy: 0.6693201281023194
Energy: 0.652970155465179
Energy: 0.663879054703788
Energy: 0.6040384073327608
Energy: 0.5944962007452054
Energy: 0.5881453395151226
Energy: 0.6041143156988407
Energy: 0.5881388540866925
Energy: 0.587753904828774
Energy: 0.6038766740572847
Energy: 0.5896675948274889
Energy: 0.5890923189168263
Energy: 0.5962458739691417
Energy: 0.5905047284373083
Energy: 0.5891705245192296
Energy: 0.6033667378365901
Energy: 0.5901464047416654
Energy: 0.5898651161583479
Energy: 0.5859636873879803
Energy: 0.5862797951272458
Energy: 0.5895428354774905
Energy: 0.6051600779383137
Energy: 0.5861271588822283
Energy: 0.5874814697408507
Energy: 0.5884441360555709
Energy: 0.6031046081726705
Energy: 0.5884150812618819
Energy: 0.6785030678881872
Energy: 0.6607196502533635
Energy: 0.6072235580807138
Energy: 0.6392586977616939
Energy: 0.6042814437212591
Energy: 0.6059856826307428
Energy: 0.6058599060308056
Energy: 0.6560669148144699
Energy: 0.6451268119815495
Energy: 0.600717470862784
Energy: 0.6593815426594319
Energy: 0.5879094794256011
Energy: 0.693307661978845
Energy: 0.6099699575139592
Energy: 0.6104663051844366
Energy: 0.6088729921892272
Energy: 0.6047053713326279
Energy: 0.6100981587473857
Energy: 0.6343480067528224
Energy: 0.6321463536433906
Energy: 0.5941247105441576
Energy: 0.6017725125458101
Energy: 0.6157536870873634
Energy: 0.6072880537387101
Energy: 0.616035267960054
Energy: 0.6609398643320742
Energy: 0.660641132539607
Energy: 0.590880477102961
Energy: 0.6071066852956194
Energy: 0.6330814917598493
Energy: 0.7048916997022159
Energy: 0.6017117912064849
Energy: 0.61214200006049
Energy: 0.6668467776925531
Energy: 0.6046206677567291
Energy: 0.6114944771209554
Energy: 0.6331144519548444
Energy: 0.6076755131117454
Energy: 0.6066282073610444
Energy: 0.6025001814435802
Energy: 0.5968623223386994
Energy: 0.6051411183971902
Energy: 0.6302245887949729
Energy: 0.6063586930682379
Energy: 0.6060010983668768
Energy: 0.6070838912801538
Energy: 0.5854343865650405
Energy: 0.6072514733819444
Energy: 0.6317012102913219
Energy: 0.587709685186645
Energy: 0.6334991588509615
Energy: 0.6317303098650838
Energy: 0.5894850290056597
Energy: 0.6085207501277281
Energy: 0.6303198906970693
Energy: 0.6284499824126841
Energy: 0.6285225496606802
Energy: 0.6360457442961893
Energy: 0.6094907037219264
Energy: 0.6331437662199768
Energy: 0.6306043956916815
Energy: 0.6264527023971634
Energy: 0.6295111276582968
Energy: 0.630035696052146
Energy: 0.6280486388098047
Energy: 0.6315628316746557
Energy: 0.6093890466681169
Energy: 0.6372957018590923
Energy: 0.6370519482953231
Energy: 0.5988513586131142
Energy: 0.6355026807354062
Energy: 0.5985385222290098
Energy: 0.7155265101707204
Energy: 0.6257343868929766
Energy: 0.625608726947593
Energy: 0.6540213463943776
Energy: 0.6324111134354194
Energy: 0.6051995341025503
Energy: 0.6307119507534583
Energy: 0.6354310926841654
Energy: 0.6170620402151845
Energy: 0.6301313233572118
Energy: 0.6149510468338883
Energy: 0.6273241225179045
Energy: 0.6783080068361005
Energy: 0.6828963389091207
Energy: 0.683815615177688
Energy: 0.6286482975567185
Energy: 0.6524125236579721
Energy: 0.7010873774101438
Energy: 0.6264823931081078
Energy: 0.6287713197956396
Energy: 0.6293676090066765
Energy: 0.6324342673420184
Energy: 0.627430646469409
Energy: 0.6143938539207118
Energy: 0.6628139529384923
Energy: 0.6251438078553153
Energy: 0.6364608344681804
Energy: 0.6147479803535837
Energy: 0.6263228175235607
Energy: 0.6324937660164678
Energy: 0.702172905870356
Energy: 0.635145850950968
Energy: 0.634228029159022
Energy: 0.6228288339189822
Energy: 0.6319229009054889
Energy: 0.6368644255928635
Energy: 0.6395728910067687
Energy: 0.6088424303280705
Energy: 0.6082616296077478
Energy: 0.6065175636485606
Energy: 0.631473888286612
Energy: 0.6067520262804934
Energy: 0.6386600836495173
Energy: 0.6064123633087165
Energy: 0.6068575093098322
Energy: 0.6066257462729268
Energy: 0.6029288177369321
Energy: 0.6069269879046411
Energy: 0.6658227251595668
Energy: 0.6063029892585325
Energy: 0.6018637087203134
Energy: 0.6029335910105513
Energy: 0.6101441823585301
Energy: 0.5874689919956074
Energy: 0.6021476199047502
Energy: 0.6729299985407726
Energy: 0.6658974613117621
Energy: 0.6023878241747282
Energy: 0.6340083646169676
Energy: 0.6096765248095074
Energy: 0.6041103087314359
Energy: 0.607142619225118
Energy: 0.6023297256269142
Energy: 0.6598072818269402
Energy: 0.6022115115554073
Energy: 0.5881405064597162
Energy: 0.6131916158689004
Energy: 0.6227567913818138
Energy: 0.6167083417338914
Energy: 0.6159113193727176
Energy: 0.6224568192358746
Energy: 0.6063752246463843

minimum gb energy = 0.5854343865650405 eV
minimum distance =  2.52439398093435 Angstroms
sigma value = 57


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

Energy: 0.6555923545062418
Energy: 0.6367775991390584
Energy: 0.6666616342376259
Energy: 0.6091072667649623
Energy: 0.6259454248839715
Energy: 0.7289765851645051
Energy: 0.6680419398762228
Energy: 0.6142320628267447
Energy: 0.6140011277981594
Energy: 0.6713252433029849
Energy: 0.6627828410287331
Energy: 0.6184449211765374
Energy: 0.6666275197090852
Energy: 0.6422129008263071
Energy: 0.6421740743357247
Energy: 0.6498621046120435
Energy: 0.6420846188104707
Energy: 0.6418832144563791
Energy: 0.6662690044929273
Energy: 0.6408326575250397
Energy: 0.6405534502731329
Energy: 0.6666025398237762
Energy: 0.6149256521136054
Energy: 0.6135472349088187
Energy: 0.6302983543760845
Energy: 0.6120866200175966
Energy: 0.6120220683912058
Energy: 0.6143231591625155
Energy: 0.6105862148374339
Energy: 0.6072195219647306
Energy: 0.6468283013836442
Energy: 0.6148110836991371
Energy: 0.6087213427944326
Energy: 0.6047183945309794
Energy: 0.6232153368604355
Energy: 0.608579990926207
Energy: 0.5833131109396954
Energy: 0.618094818471978
Energy: 0.6088681575148637
Energy: 0.5815178592337945
Energy: 0.6231449002611252
Energy: 0.6284870583603087
Energy: 0.6787208281824819
Energy: 0.6836580018968439
Energy: 0.6310425103715563
Energy: 0.5920101681049624
Energy: 0.6684003347842818
Energy: 0.6285877022604683
Energy: 0.5840358240939637
Energy: 0.6284828904212926
Energy: 0.6285916717176163
Energy: 0.5789376827172775
Energy: 0.6710587119295176
Energy: 0.5818939883108617
Energy: 0.767803694579032
Energy: 0.6521901113550186
Energy: 0.6531644348207563
Energy: 0.5854515573894804
Energy: 0.6550278351159409
Energy: 0.6776188968543033
Energy: 0.5796397891729843
Energy: 0.6472766864008282
Energy: 0.5774544892791316
Energy: 0.5784608321434819
Energy: 0.6023779722149433
Energy: 0.5770450901464627
Energy: 0.6086699227405935
Energy: 0.5996987739962595
Energy: 0.5755957068154411
Energy: 0.5878545009899935
Energy: 0.6149386018031663
Energy: 0.5762360235518823
Energy: 0.5807918129202457
Energy: 0.6140161327007123
Energy: 0.5758175054146298
Energy: 0.5753163627312657
Energy: 0.6143835110855743
Energy: 0.5758652547108328
Energy: 0.5781965028793038
Energy: 0.5791192237339113
Energy: 0.5757694388120841
Energy: 0.576687709952908
Energy: 0.5758240955746737
Energy: 0.5752265947640497
Energy: 0.6722322569363121
Energy: 0.6228284510219904
Energy: 0.6445787940536509
Energy: 0.5834881300320279
Energy: 0.6276184035289508
Energy: 0.6606729796258101
Energy: 0.5837895109437351
Energy: 0.5756668970759198
Energy: 0.5853751289389605
Energy: 0.5803209223344921
Energy: 0.5796182531567039
Energy: 0.5848873341444834
Energy: 0.6206999231050973
Energy: 0.6226605204936797
Energy: 0.6149688610159202
Energy: 0.6043421027558873
Energy: 0.6223116491139464
Energy: 0.6155002814019465
Energy: 0.6207526629652745
Energy: 0.6221283116519194
Energy: 0.6420785283788037
Energy: 0.6166147380313057
Energy: 0.6307413507451687
Energy: 0.6159723072196265
Energy: 0.681615758958965
Energy: 0.6599304941767227
Energy: 0.6105372387969588
Energy: 0.6194067838167301
Energy: 0.6601905393358998
Energy: 0.6098681621761215
Energy: 0.6812334940555999
Energy: 0.6473339129495256
Energy: 0.6170240989540866
Energy: 0.610796442116463
Energy: 0.6484279221931544
Energy: 0.6090629443646396
Energy: 0.6789935161480539
Energy: 0.6211177958795983
Energy: 0.6156604537534265
Energy: 0.6798676516838346
Energy: 0.6636079605563917
Energy: 0.6154458331355943
Energy: 0.7609227984377432
Energy: 0.6585292152645963
Energy: 0.6781374688735324
Energy: 0.6676170255777497
Energy: 0.6434649314229983
Energy: 0.5940290678586907
Energy: 0.6642354105169958
Energy: 0.616980434249991
Energy: 0.6177862732661581
Energy: 0.6788583811662174
Energy: 0.6629304416516828
Energy: 0.6194547963618542
Energy: 0.6263683923432203
Energy: 0.6472512292190964
Energy: 0.5840137576769735
Energy: 0.6282024322033164
Energy: 0.6465508169796823
Energy: 0.5857890946875902

minimum gb energy = 0.5752265947640497 eV
minimum distance =  2.57564399841164 Angstroms
sigma value = 17


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

Energy: 0.5886886218358729
Energy: 0.6807622672532646
Energy: 0.7278843555986612
Energy: 0.575585430810196
Energy: 0.6055179692182995
Energy: 0.5737265640222527
Energy: 0.6495556223836136
Energy: 0.5797552256439976
Energy: 0.5811551901979837
Energy: 0.6754249223003758
Energy: 0.6466148306001087
Energy: 0.5712654340686706
Energy: 0.6477846202873156
Energy: 0.5644805049138459
Energy: 0.5640324619934831
Energy: 0.6448004101129462
Energy: 0.5646629281110781
Energy: 0.5637334209585014
Energy: 0.6632394252119902
Energy: 0.5642062907140944
Energy: 0.5652393486458227
Energy: 0.6637401921781743
Energy: 0.575007754705023
Energy: 0.608739022641865
Energy: 0.6070807402339841
Energy: 0.5453079470025126
Energy: 0.5454414226043056
Energy: 0.6082298831575961
Energy: 0.5446564149457881
Energy: 0.545232777728384
Energy: 0.5902911867013144
Energy: 0.5487806229925415
Energy: 0.5495122197343478
Energy: 0.5299703600752886
Energy: 0.5777569092629463
Energy: 0.5279169377073584
Energy: 0.6040320355801315
Energy: 0.6030891790326701
Energy: 0.5658069691672136
Energy: 0.5267758552735777
Energy: 0.6022123374138797
Energy: 0.5253372214446057
Energy: 0.567866237880742
Energy: 0.5273588030880357
Energy: 0.5269273148097193
Energy: 0.5259473876419173
Energy: 0.5285659692757968
Energy: 0.5267607461054704
Energy: 0.6028754525489449
Energy: 0.5248138718044023
Energy: 0.5256182276060565
Energy: 0.6031686011392158
Energy: 0.5260485241956782
Energy: 0.5255518336078733
Energy: 0.5979428832489735
Energy: 0.5490503394802689
Energy: 0.5491143554822803
Energy: 0.6000521580009219
Energy: 0.5490006164473561
Energy: 0.5490858586509068
Energy: 0.5500150497918647
Energy: 0.5446067420576137
Energy: 0.5454627447410348
Energy: 0.5447797124494724
Energy: 0.577632184324501
Energy: 0.5462177044534782
Energy: 0.6084712164463381
Energy: 0.6641441934622068
Energy: 0.6094208264208165
Energy: 0.5303348707734645
Energy: 0.6641318228039408
Energy: 0.609135159767336
Energy: 0.5886077818107136
Energy: 0.6433094543586667
Energy: 0.6469129181065509
Energy: 0.5469822249228873
Energy: 0.6445222731050644
Energy: 0.6468203734454255
Energy: 0.6297507562609347
Energy: 0.6628353203545576
Energy: 0.5709494473703831
Energy: 0.6690222877889055
Energy: 0.6636359116665776
Energy: 0.5707676333396833
Energy: 0.630871225301672
Energy: 0.6482916217670572
Energy: 0.6502466417186559
Energy: 0.646887994331991
Energy: 0.6489153946200336
Energy: 0.6607805658400073
Energy: 0.6369572767407542
Energy: 0.6748492929880566
Energy: 0.5803456092053021
Energy: 0.6451856735688951
Energy: 0.6737437752643816
Energy: 0.5811171187388383
Energy: 0.5839827787448603
Energy: 0.6432136511660573
Energy: 0.6959217571813506
Energy: 0.5611587633715811
Energy: 0.6435994498711028
Energy: 0.6429720352976005

minimum gb energy = 0.5248138718044023 eV
minimum distance =  2.49846865196518 Angstroms
sigma value = 17


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

Energy: 0.5824397734456803
Energy: 0.6988576349475037
Energy: 0.5805181552494507
Energy: 0.5483244388264392
Energy: 0.7268177648224108
Energy: 0.6201969114308618
Energy: 0.6868806491821046
Energy: 0.5105317775922376
Energy: 0.5102932298308144
Energy: 0.5990234622446325
Energy: 0.6152136432350616
Energy: 0.537145471576378
Energy: 0.8372023052958478
Energy: 0.5360791045441635
Energy: 0.5826576690346686
Energy: 0.5780665987382406
Energy: 0.5359930475448061
Energy: 0.5826297889633493
Energy: 0.6983440396931233
Energy: 0.5835210514479384
Energy: 0.5837463375322203
Energy: 0.6844177363585646
Energy: 0.542751065403023
Energy: 0.5930026351720373
Energy: 0.6289365592781647
Energy: 0.5799581783599785
Energy: 0.5877046163738355
Energy: 0.619467491669534
Energy: 0.5119726376585065
Energy: 0.5113387730635391
Energy: 0.5584163804251748
Energy: 0.5780643389476139
Energy: 0.5333005403133345
Energy: 0.534692914723778
Energy: 0.6114406066665118
Energy: 0.5340003513096776
Energy: 0.5852522288263686
Energy: 0.6284938894436489
Energy: 0.6231250093033879
Energy: 0.56900146230693
Energy: 0.6253005061352815
Energy: 0.5569600226963161
Energy: 0.5988565282345346
Energy: 0.5120424525591195
Energy: 0.5549764994712784
Energy: 0.5610809882314903
Energy: 0.5125652662547517
Energy: 0.5572483489225313
Energy: 0.5875430257761373
Energy: 0.5465789504319692
Energy: 0.5502850294493062
Energy: 0.5877292138681997
Energy: 0.5455818438658203
Energy: 0.5858119160516814
Energy: 0.5850808152562466
Energy: 0.554698508374411
Energy: 0.5541069257200371
Energy: 0.5851868890285706
Energy: 0.5553220257347671
Energy: 0.5540237155092035
Energy: 0.5986275747571733
Energy: 0.5441628695853792
Energy: 0.551612513644132
Energy: 0.5507535079087268
Energy: 0.5852186852315819
Energy: 0.5494500260122295
Energy: 0.5873299683745269
Energy: 0.584947852652461
Energy: 0.5856548836733956
Energy: 0.609679028608949
Energy: 0.5898072730358859
Energy: 0.5650565052282851
Energy: 0.6060435747858991
Energy: 0.5724438308002303
Energy: 0.5637077324091552
Energy: 0.5590154695293371
Energy: 0.5612851996233466
Energy: 0.5555982636605473
Energy: 0.6223156051718686
Energy: 0.556481535604451
Energy: 0.5628830784249468
Energy: 0.6234756101567728
Energy: 0.5560287927693853
Energy: 0.6249908877825715
Energy: 0.6218562021969953
Energy: 0.5280904526532963
Energy: 0.5270609896652071
Energy: 0.6228572747760952
Energy: 0.5308604571801185
Energy: 0.5843496358733288
Energy: 0.7130513360695536
Energy: 0.5703491652861232
Energy: 0.5859748112375323
Energy: 0.588344082526155
Energy: 0.5613922781263185
Energy: 0.5864985160241925
Energy: 0.5665372058274319
Energy: 0.7102684876145073
Energy: 0.676542730165928
Energy: 0.5449966824979577
Energy: 0.7218480952670818
Energy: 0.5569821626517332
Energy: 0.5663219816495761
Energy: 0.6657032837224137
Energy: 0.6504410618951056
Energy: 0.5464728072156572
Energy: 0.6618496315980832
Energy: 0.5573216984726984
Energy: 0.7641294952390003
Energy: 0.6502603170052885
Energy: 0.586872817625005
Energy: 0.6278573722720403
Energy: 0.5727197443860774
Energy: 0.6215349996877724
Energy: 0.8181930486124385
Energy: 0.5773952423503418
Energy: 0.575348250299542
Energy: 0.649961170922107
Energy: 0.5666240760636099
Energy: 0.6564619059078759
Energy: 0.7249095992989139
Energy: 0.6528682852389815
Energy: 0.607821909114458
Energy: 0.5964037752417122
Energy: 0.6417194728788369
Energy: 0.6213624632785668
Energy: 0.554482932408344
Energy: 0.6612478592202813
Energy: 0.6649067760132694
Energy: 0.5447201605254387
Energy: 0.6892443175600552
Energy: 0.5451325520164333
Energy: 0.5566056187724913
Energy: 0.683972984761874
Energy: 0.5869874299920516
Energy: 0.5034470563634265
Energy: 0.7096724176468913
Energy: 0.5330622488371451
Energy: 0.8163176798455513
Energy: 0.5544380547323952
Energy: 0.6204865169409755
Energy: 0.623459267026372
Energy: 0.5391930768841561
Energy: 0.6220457467764895
Energy: 0.6873559069015774
Energy: 0.536848220060657
Energy: 0.5830781063233568
Energy: 0.6618050383434189
Energy: 0.5374032950166991
Energy: 0.5829063681740845
Energy: 0.6321861721245533
Energy: 0.5807048572766205
Energy: 0.5810281370655866
Energy: 0.6585856120178223
Energy: 0.5879154964086376
Energy: 0.6033471903944976
Energy: 0.5577116592180875
Energy: 0.6013571017834108
Energy: 0.6017088913526585
Energy: 0.5350727242725165
Energy: 0.6008149216192293
Energy: 0.5378134593607402
Energy: 0.561777469482604
Energy: 0.619287742053228
Energy: 0.6189521316587537
Energy: 0.5623469514989465
Energy: 0.6276995331775884
Energy: 0.6185879631334783
Energy: 0.5959206437496477
Energy: 0.5582125974952133
Energy: 0.5583295106453012
Energy: 0.5576717573745018
Energy: 0.6150551584908142
Energy: 0.5581709025732118
Energy: 0.5932536930596088
Energy: 0.5165128599706074
Energy: 0.5610234588472137
Energy: 0.5859743135208357
Energy: 0.5132359605096217
Energy: 0.5601215537606886
Energy: 0.5908065999274794
Energy: 0.552627003621734
Energy: 0.5515740386531383
Energy: 0.5920421263623498
Energy: 0.5469721056263738
Energy: 0.5516784952652429
Energy: 0.5803511560896629
Energy: 0.5568570826327913
Energy: 0.5568097446793366
Energy: 0.5572835981393675
Energy: 0.5554519138422903
Energy: 0.5568351373932322
Energy: 0.6124953382237392
Energy: 0.5905727208374318
Energy: 0.5847388130918628
Energy: 0.5877898976106846
Energy: 0.5869315568994147
Energy: 0.5854109170149268
Energy: 0.5872438442975861
Energy: 0.5607564647315743
Energy: 0.5588034827726209
Energy: 0.5609046952549224
Energy: 0.5605935806541964
Energy: 0.5596185107029598
Energy: 0.6279080165715325
Energy: 0.555926307832472
Energy: 0.5557007816697922
Energy: 0.6290386128688049
Energy: 0.5595923301616615
Energy: 0.5562356449744489
Energy: 0.6284884965574115
Energy: 0.5255567683905366
Energy: 0.5762371287376525
Energy: 0.6287034567258009
Energy: 0.5253592299126785
Energy: 0.577031474229321
Energy: 0.7802815068510819
Energy: 0.5838089778620743
Energy: 0.5844793703725208
Energy: 0.5900578419633697
Energy: 0.562176207979162
Energy: 0.5841530636159861
Energy: 0.5704717357145281
Energy: 0.5971556596007117
Energy: 0.5986157335089384
Energy: 0.576820223972956
Energy: 0.7141920368363928
Energy: 0.5985744705419026
Energy: 0.5670329495115908
Energy: 0.6611915816886847
Energy: 0.5712679249817029
Energy: 0.558337289127124
Energy: 0.6558813503201021
Energy: 0.5666209195724743
Energy: 0.6211578636673097
Energy: 0.5809630678583995
Energy: 0.662447294512267
Energy: 0.5806395969298715
Energy: 0.580004467929266
Energy: 0.5686054443407581
Energy: 0.7753676606813936
Energy: 0.561329460173999
Energy: 0.6465905017033435
Energy: 0.6163783979235756
Energy: 0.5614079501661292
Energy: 0.648854041920352
Energy: 0.8363907479045415
Energy: 0.5932660205042136
Energy: 0.5622053974349626
Energy: 0.5727151644166097
Energy: 0.5861224865318659
Energy: 0.5826109055100184
Energy: 0.5820730538031536
Energy: 0.6415164113697905
Energy: 0.6496828521197837
Energy: 0.5038318204516379
Energy: 0.6257579032183002
Energy: 0.6130844642124261

minimum gb energy = 0.5034470563634265 eV
minimum distance =  2.47430908815172 Angstroms
sigma value = 57


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

Energy: 0.5068749011949799
Energy: 0.7571658216645404
Energy: 0.5454672105151644
Energy: 0.477082950925887
Energy: 0.7552653794652524
Energy: 0.5461309911658065
Energy: 0.599490590211642
Energy: 0.49407161452829285
Energy: 0.49442236833104763
Energy: 0.55845948788188
Energy: 0.49411757828725344
Energy: 0.5173785100414148
Energy: 0.7525934515400505
Energy: 0.47189530042920724
Energy: 0.4724682219561726
Energy: 0.557107737916523
Energy: 0.47138938784320905
Energy: 0.5091355223222206
Energy: 0.6569723672064176
Energy: 0.4715457428075409
Energy: 0.510057871839557
Energy: 0.5382882007479282
Energy: 0.4722605892546367
Energy: 0.512667103849698
Energy: 0.5567765866964328
Energy: 0.49543750248079055
Energy: 0.49648142635072506
Energy: 0.5576818373219106
Energy: 0.494914479178042
Energy: 0.49364224443715976
Energy: 0.4964819702307873
Energy: 0.48876635095508797
Energy: 0.4698085750682913
Energy: 0.4553894620942395
Energy: 0.5308180174896352
Energy: 0.4709010148939155
Energy: 0.5197486889483685
Energy: 0.5689612506131724
Energy: 0.5350588380462795
Energy: 0.46222821648977697
Energy: 0.5664092740619553
Energy: 0.46246456331481295
Energy: 0.5242089238285523
Energy: 0.4507818948752953
Energy: 0.4508047161480461
Energy: 0.499562847560438
Energy: 0.45023873801111275
Energy: 0.46065803261067917
Energy: 0.5222258917056668
Energy: 0.4625582457649115
Energy: 0.466439143898577
Energy: 0.5233772174346365
Energy: 0.4542936335933953
Energy: 0.4927685227780115
Energy: 0.530966092614637
Energy: 0.4479404840296035
Energy: 0.44805438833273925
Energy: 0.5320879852398751
Energy: 0.44823182648837356
Energy: 0.44802802918437906
Energy: 0.5052502412499303
Energy: 0.4522672647739389
Energy: 0.4457605864212844
Energy: 0.44395515825406723
Energy: 0.5119965713536494
Energy: 0.445937502755038
Energy: 0.5228379949780793
Energy: 0.5079224109558047
Energy: 0.5107802218968445
Energy: 0.44663073260886105
Energy: 0.5047960934320219
Energy: 0.4481536517007417
Energy: 0.5096962071001347
Energy: 0.5014052994146264
Energy: 0.44996529060997437
Energy: 0.4509402241505343
Energy: 0.5055086360158079
Energy: 0.450672957503933
Energy: 0.5016335167357925
Energy: 0.4475278525590022
Energy: 0.44592838113350497
Energy: 0.5029543091111444
Energy: 0.48874025241139313
Energy: 0.5000114994280879
Energy: 0.5005099403707632
Energy: 0.44689003343667294
Energy: 0.44568057950747086
Energy: 0.501247383118767
Energy: 0.44894121527466607
Energy: 0.4453882229647543
Energy: 0.5308221906001784
Energy: 0.5297447439798091
Energy: 0.45156985406978317
Energy: 0.4519400938369319
Energy: 0.5282255214432375
Energy: 0.45113772967478205
Energy: 0.5022952143575301
Energy: 0.5286381729551437
Energy: 0.4675625587854807
Energy: 0.4471545766936528
Energy: 0.525557424508468
Energy: 0.4604588481956387
Energy: 0.5029832433736361
Energy: 0.46869530577042545
Energy: 0.46892325981752114
Energy: 0.5292731310317792
Energy: 0.46892486763799107
Energy: 0.46778375735112215
Energy: 0.5637179649167782
Energy: 0.46286259401964863
Energy: 0.4624902600316582
Energy: 0.5646619928993896
Energy: 0.46743095210638264
Energy: 0.52668246174264
Energy: 0.6394134513225134
Energy: 0.4734956243848265
Energy: 0.4734989033654896
Energy: 0.4927744315557843
Energy: 0.4674554291798386
Energy: 0.49370756913092356
Energy: 0.7078937334559301
Energy: 0.5005669843569939
Energy: 0.4942455793320204
Energy: 0.49757390601472806
Energy: 0.5351838910238638
Energy: 0.49212949442117576
Energy: 0.5017056064756252
Energy: 0.5623180356178983
Energy: 0.4912811509824812
Energy: 0.46257706857371694
Energy: 0.6546091384342422
Energy: 0.49086650284868877
Energy: 0.5239086252008878
Energy: 0.5581808550243711
Energy: 0.5477123977622922
Energy: 0.4963993531743144
Energy: 0.5568935457534899
Energy: 0.5481552589502583
Energy: 0.7063671703271299
Energy: 0.49445771133671973
Energy: 0.495358608485155
Energy: 0.4964510167859556
Energy: 0.5006979057342139
Energy: 0.4949202853995044
Energy: 0.7637149785182064
Energy: 0.4935621848539738
Energy: 0.4941873867374697
Energy: 0.5549144966142445
Energy: 0.49371511813693814
Energy: 0.5529803651390124
Energy: 0.7531701638897421
Energy: 0.5507549571594668
Energy: 0.49159338920625906
Energy: 0.5494811181311536
Energy: 0.550361151600554
Energy: 0.5181808821870657
Energy: 0.5060481676897008
Energy: 0.5552883316037265
Energy: 0.5119524143213899
Energy: 0.47413386826786635
Energy: 0.5706381078507986
Energy: 0.5118408508221944

minimum gb energy = 0.44395515825406723 eV
minimum distance =  2.58813253544189 Angstroms
sigma value = 43


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

Energy: 0.43470991894628247
Energy: 0.5312507396441496
Energy: 0.4871421932787409
Energy: 0.4097285192705347
Energy: 0.5303461515011278
Energy: 0.459029601004331
Energy: 0.6037374217425133
Energy: 0.4133801120542682
Energy: 0.4133057368872295
Energy: 0.4117041325520441
Energy: 0.4132472764136687
Energy: 0.41025064623493035
Energy: 0.640047339949529
Energy: 0.3965300610951136
Energy: 0.41153652326199847
Energy: 0.4519249460805633
Energy: 0.395547222359101
Energy: 0.41150666688956167
Energy: 0.5608909911024124
Energy: 0.4106520510296761
Energy: 0.41131592923771304
Energy: 0.4641919441683652
Energy: 0.44892841989758514
Energy: 0.4298214361264058
Energy: 0.4959506805365066
Energy: 0.4129459440791195
Energy: 0.4129152867675999
Energy: 0.45633233692170294
Energy: 0.4129316531468958
Energy: 0.41074538586988
Energy: 0.4205931229844726
Energy: 0.4100198061779969
Energy: 0.40102227650059663
Energy: 0.4212587167579585
Energy: 0.45197132870991463
Energy: 0.41424223457688136
Energy: 0.5907040817301482
Energy: 0.45392887895285344
Energy: 0.45144514702379673
Energy: 0.39202266403389496
Energy: 0.5006840885053575
Energy: 0.38975424687665644
Energy: 0.5867153828334499
Energy: 0.3795583137941571
Energy: 0.38333737622565517
Energy: 0.41440559694815876
Energy: 0.37807821696509836
Energy: 0.38316377739863106
Energy: 0.46075611761151064
Energy: 0.38424683673434923
Energy: 0.39070214388382435
Energy: 0.4620162278740265
Energy: 0.3732700983287498
Energy: 0.38921317621692736
Energy: 0.45884380229366417
Energy: 0.3793910563482463
Energy: 0.3785067706357837
Energy: 0.45922028512777613
Energy: 0.3794158431302649
Energy: 0.37802342762889773
Energy: 0.4168063943147305
Energy: 0.4361979692039234
Energy: 0.3754108616154918
Energy: 0.37532926505291325
Energy: 0.43716708588752323
Energy: 0.37213292837493894
Energy: 0.46283728606305913
Energy: 0.43664399977986723
Energy: 0.435833753000329
Energy: 0.37498653093696366
Energy: 0.4426766133983873
Energy: 0.3745136213032478
Energy: 0.4622675649384249
Energy: 0.40704485563016946
Energy: 0.41170779478884734
Energy: 0.39968997165018166
Energy: 0.40641913405097263
Energy: 0.4118719819617363
Energy: 0.42390574649017854
Energy: 0.3998409156568835
Energy: 0.4258579315848902
Energy: 0.42507309902824075
Energy: 0.3667944711525215
Energy: 0.4245302012724101
Energy: 0.4236842459482094
Energy: 0.36996169273291357
Energy: 0.37046512022205813
Energy: 0.4271511050315837
Energy: 0.36908535248788377
Energy: 0.3701041617392907
Energy: 0.42004300975613895
Energy: 0.4186332054644732
Energy: 0.3680017587341509
Energy: 0.3681378586769521
Energy: 0.4179884616206755
Energy: 0.3668252198252203
Energy: 0.4261643423663438
Energy: 0.41808133066991643
Energy: 0.42469733889434247
Energy: 0.3697180038087637
Energy: 0.41780185056537117
Energy: 0.37187709234615735
Energy: 0.4179149293662947
Energy: 0.4051301690775553
Energy: 0.37129592171283976
Energy: 0.42177297815308357
Energy: 0.40320251193401213
Energy: 0.3724310352382182
Energy: 0.41794570602469344
Energy: 0.39740729394553403
Energy: 0.4193585463868645
Energy: 0.4188039967998828
Energy: 0.39763772758195265
Energy: 0.41833378222664747
Energy: 0.41812648026698634
Energy: 0.4037214650389731
Energy: 0.37456025680269694
Energy: 0.4159018012345711
Energy: 0.4021314459359375
Energy: 0.37581189815830657
Energy: 0.4390908781644349
Energy: 0.4240986159286507
Energy: 0.4287889143675976
Energy: 0.3739565589934609
Energy: 0.4236134650576206
Energy: 0.3754719863545766
Energy: 0.421677041844127
Energy: 0.42404171787769146
Energy: 0.36925166934981635
Energy: 0.37008487349022595
Energy: 0.42386855461819434
Energy: 0.36884357756472136
Energy: 0.4365636390754337
Energy: 0.37221671768522285
Energy: 0.3723204341834128
Energy: 0.43797479180712706
Energy: 0.3711727550823487
Energy: 0.37185478351029677
Energy: 0.43672602389366866
Energy: 0.4103637060376419
Energy: 0.40971345877368714
Energy: 0.4378961206918053
Energy: 0.3813004168975457
Energy: 0.43639995345136356
Energy: 0.5718356287734621
Energy: 0.3930951055193867
Energy: 0.3996810210311864
Energy: 0.4235683457318404
Energy: 0.3939819027617928
Energy: 0.42415717940246395
Energy: 0.5281783555426817
Energy: 0.45905146429178745
Energy: 0.4241008913505989
Energy: 0.3776232238553126
Energy: 0.4587394235538219
Energy: 0.3772508717779128
Energy: 0.41895410031955943
Energy: 0.42265125429883466
Energy: 0.3887415133837332
Energy: 0.3782265622561283
Energy: 0.4586959950192075
Energy: 0.38086580012414184
Energy: 0.4715567811684025
Energy: 0.39261274902378923
Energy: 0.39096686801635316
Energy: 0.43085816980796454
Energy: 0.3930228648211607
Energy: 0.39069178600060384
Energy: 0.49836488599853007
Energy: 0.39669868615297466
Energy: 0.41279025099752403
Energy: 0.4995131445457996
Energy: 0.3930248872846048
Energy: 0.4098121182655381
Energy: 0.6077226737648325
Energy: 0.3875427174492282
Energy: 0.39650607208687466
Energy: 0.4097538537348502
Energy: 0.3870989288579208
Energy: 0.39641459102038334
Energy: 0.6055727599010151
Energy: 0.4152014050406849
Energy: 0.42163259093217764
Energy: 0.41659465646534954
Energy: 0.46174193853690754
Energy: 0.4151452089082036
Energy: 0.42665678413135605
Energy: 0.44772834178064724
Energy: 0.4203250628069056
Energy: 0.41384426907531974
Energy: 0.4748540819561767
Energy: 0.4063892363962097
Energy: 0.5579765127822397
Energy: 0.45052927827714556
Energy: 0.45083039088406957
Energy: 0.4676463924898079
Energy: 0.45023448168434693
Energy: 0.4127629815751101
Energy: 0.6077127331272714
Energy: 0.431499220599537
Energy: 0.43168599634067645
Energy: 0.42353684086373783
Energy: 0.4434690028630273
Energy: 0.4577399623442508
Energy: 0.6399765923299178
Energy: 0.4117782446037212
Energy: 0.43162485434362685
Energy: 0.45014532692437664
Energy: 0.41097106200669914
Energy: 0.4318467257042619
Energy: 0.6165134723619476
Energy: 0.45032594369191065
Energy: 0.4501324290122869
Energy: 0.41322282683240885
Energy: 0.45025884606317673
Energy: 0.4103211759848874

minimum gb energy = 0.3667944711525215 eV
minimum distance =  2.58540321552645 Angstroms
sigma value = 81


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

Energy: 0.021005032745735754
Energy: 0.023015052599170437
Energy: 0.02180298654461834
Energy: 0.022818768731223002
Energy: 0.022596870953421208
Energy: 0.021606927927584646
Energy: 0.04770017994067064
Energy: 0.02186376791807796
Energy: 0.022011187714772545
Energy: 0.04806583815942911
Energy: 0.025669462554532226
Energy: 0.021958082658046357
Energy: 0.0464045761391002
Energy: 0.021601082719249345
Energy: 0.021725787432707047
Energy: 0.046601580710584956
Energy: 0.02159332698197312
Energy: 0.04668903070400976
Energy: 0.023869027950587145
Energy: 0.021503402986405223
Energy: 0.02167002834009943
Energy: 0.025012053269119455
Energy: 0.021465469621473176
Energy: 0.04705332929368979
Energy: 0.0467300174155388
Energy: 0.04658856466207729
Energy: 0.04649655947140985
Energy: 0.04736718488278006
Energy: 0.0464610620564443
Energy: 0.048639596994148576
Energy: 0.021971131738874047
Energy: 0.021934501474002138
Energy: 0.021543244193586063
Energy: 0.02349273312761997
Energy: 0.02218914167590972
Energy: 0.021701542106251092
Energy: 0.04849595671774615
Energy: 0.021868959333216448
Energy: 0.021778478358423673
Energy: 0.04859552870485422
Energy: 0.027503699579798525
Energy: 0.021937976720217595
Energy: 0.04648094817074218
Energy: 0.02175289580481238
Energy: 0.021714697510368135
Energy: 0.046435878294480724
Energy: 0.021432852533453877
Energy: 0.04769073723403585
Energy: 0.0226839097714445
Energy: 0.021928593822756845
Energy: 0.048546126778784685
Energy: 0.02379123762995298
Energy: 0.02154306433046114
Energy: 0.04813994812973705
Energy: 0.02219681601550823
Energy: 0.04680909005214909
Energy: 0.04711393807691628
Energy: 0.022254607159603406
Energy: 0.04639568422130756
Energy: 0.046864351415399665

minimum gb energy = 0.021005032745735754 eV
minimum distance =  2.72526342409043 Angstroms
sigma value = 3


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

Energy: 0.47881561270502343
Energy: 0.4822126331683955
Energy: 0.4736503729882408
Energy: 0.44131643059708453
Energy: 0.4816675722923735
Energy: 0.4469810091887443
Energy: 0.5008228699631351
Energy: 0.4887021085429426
Energy: 0.48595522674065245
Energy: 0.4853448150692036
Energy: 0.4838504213399455
Energy: 0.48505084440051704
Energy: 0.5003653380902626
Energy: 0.4547368511782448
Energy: 0.4548691312048803
Energy: 0.48262093894739416
Energy: 0.4550512561651075
Energy: 0.47342030620983344
Energy: 0.4814936456085582
Energy: 0.4547327106320195
Energy: 0.4546474094764024
Energy: 0.4766644583796332
Energy: 0.4247002200999676
Energy: 0.4763534002209128
Energy: 0.4361374938333824
Energy: 0.4857681260278836
Energy: 0.484772057165973
Energy: 0.43633195161378585
Energy: 0.48891859113800284
Energy: 0.48425933968280427
Energy: 0.45784039340364013
Energy: 0.48421535619356887
Energy: 0.4661823257591165
Energy: 0.40575536686301017
Energy: 0.4843122303420081
Energy: 0.4401958262706962
Energy: 0.4781732876085884
Energy: 0.4852332753749341
Energy: 0.4845106065983051
Energy: 0.4767346083502078
Energy: 0.44759351745751763
Energy: 0.47710121435171976
Energy: 0.47621862927208336
Energy: 0.4499363934405712
Energy: 0.45012041627146543
Energy: 0.47631878548147716
Energy: 0.38744753922364256
Energy: 0.4512574624036181
Energy: 0.4858263992154315
Energy: 0.45064886244688873
Energy: 0.4687099888256377
Energy: 0.4741646850618137
Energy: 0.4093969578601566
Energy: 0.46920411721299843
Energy: 0.44595732034030605
Energy: 0.4430367063396919
Energy: 0.44836035709835065
Energy: 0.488387159908235
Energy: 0.44787055783774193
Energy: 0.44934715421734883
Energy: 0.4582837645194876
Energy: 0.45683340508502823
Energy: 0.45765760509407943
Energy: 0.39405559434847026
Energy: 0.4652016213592921
Energy: 0.4347875621280421
Energy: 0.41477394721753924
Energy: 0.462874081984122
Energy: 0.4638991524039693
Energy: 0.414549370647988
Energy: 0.46666041059512664
Energy: 0.414082301929006
Energy: 0.41540257606894415
Energy: 0.4244480954997959
Energy: 0.44017366165362176
Energy: 0.4153684856420438
Energy: 0.3854910626027411
Energy: 0.441699988712139
Energy: 0.4570742830868
Energy: 0.4167721906022756
Energy: 0.44137021900547424
Energy: 0.4171941965720288
Energy: 0.4204262987342525
Energy: 0.443070533677456
Energy: 0.45774959148857713
Energy: 0.39410535705807087
Energy: 0.3939577880780012
Energy: 0.45257956896739104
Energy: 0.3998600265868821
Energy: 0.3942717592077986
Energy: 0.45177891385516583
Energy: 0.4329578815655061
Energy: 0.431999334746104
Energy: 0.42810104555720063
Energy: 0.4481833008703873
Energy: 0.43231854215967785
Energy: 0.3906792615985723
Energy: 0.43254987271346496
Energy: 0.4303723589502783
Energy: 0.3836405890769262
Energy: 0.4343547917874013
Energy: 0.3835771380985125
Energy: 0.3843403654358238
Energy: 0.42527859294590853
Energy: 0.42571009346382904
Energy: 0.38431761380853197
Energy: 0.3873019418908796
Energy: 0.42606070987091726
Energy: 0.44497568848358465
Energy: 0.40497921786496466
Energy: 0.42541961563080877
Energy: 0.3872041330664187
Energy: 0.40281142652188073
Energy: 0.42564137132471824
Energy: 0.4494581443916679
Energy: 0.38356920488008533
Energy: 0.3833483420091854
Energy: 0.4503957302375391
Energy: 0.3895799555589163
Energy: 0.38401606545804073
Energy: 0.4495000403024308
Energy: 0.42818078271180765
Energy: 0.43227073255368975
Energy: 0.43201657464242965
Energy: 0.42954433472785386
Energy: 0.4309414799744253
Energy: 0.39755537263496776
Energy: 0.42813804549943013
Energy: 0.4305939887796443
Energy: 0.3958345534514869
Energy: 0.42938124781609943
Energy: 0.39407417047196536
Energy: 0.39449972314717247
Energy: 0.443811400912741
Energy: 0.44350868723640097
Energy: 0.3944113013461778
Energy: 0.44449571805697263
Energy: 0.4408979560998842
Energy: 0.45490815363562564
Energy: 0.4153770109345405
Energy: 0.44096606146591305
Energy: 0.38767045903147873
Energy: 0.4154212822915353
Energy: 0.43094939089647144
Energy: 0.4751937659746684
Energy: 0.41448373731589494
Energy: 0.4142379405188445
Energy: 0.4705502094941925
Energy: 0.4206268602908672
Energy: 0.4145760495177582
Energy: 0.4691664297647245
Energy: 0.4444985190673981
Energy: 0.44488512795848223
Energy: 0.4695167469581461
Energy: 0.42424015647618113
Energy: 0.4576332970547387
Energy: 0.4472384829163412
Energy: 0.44461331199208504
Energy: 0.445454954420147
Energy: 0.4465081958515484
Energy: 0.4719177613697179
Energy: 0.4490751648606922
Energy: 0.4240467371649432
Energy: 0.4399749602594551
Energy: 0.49167279059843383
Energy: 0.4237952003136136
Energy: 0.44174021059055796
Energy: 0.478070571234598
Energy: 0.4601367788581182
Energy: 0.47380536073616325
Energy: 0.46517077236078314
Energy: 0.39921337311937327
Energy: 0.47556620919581966
Energy: 0.4378891911387303
Energy: 0.4499282826210819
Energy: 0.47324938244852993
Energy: 0.4731623548437401
Energy: 0.44631708927401115
Energy: 0.4815448921210264
Energy: 0.47031265609464196
Energy: 0.473228510435334
Energy: 0.45426766226641263
Energy: 0.454074964579134
Energy: 0.47342138372816456
Energy: 0.39409459085867277
Energy: 0.4544631048713417
Energy: 0.5025294232820374
Energy: 0.4554897613186106
Energy: 0.48318154982934
Energy: 0.4837128337006549
Energy: 0.4347259967943857
Energy: 0.5098034424418244
Energy: 0.444163758137415
Energy: 0.4780510254377462
Energy: 0.47255293894803946
Energy: 0.44456051547581893
Energy: 0.4816141281687428
Energy: 0.4639923262154725

minimum gb energy = 0.3833483420091854 eV
minimum distance =  2.5081175835933 Angstroms
sigma value = 67


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

Energy: 0.5882210988221844
Energy: 0.5911732365467738
Energy: 0.5821896680643778
Energy: 0.510874593395799
Energy: 0.5912726516641063
Energy: 0.5843652183758004
Energy: 0.6134701222773709
Energy: 0.5859174644729943
Energy: 0.5887058978070123
Energy: 0.5915527881005043
Energy: 0.5801819684068527
Energy: 0.5795481945877902
Energy: 0.6138819675704715
Energy: 0.5566985896897141
Energy: 0.564979890502078
Energy: 0.5887715813418095
Energy: 0.5266856844845574
Energy: 0.5656068591728902
Energy: 0.5718601834629665
Energy: 0.5652055117223336
Energy: 0.5657226004658285
Energy: 0.5726833172359266
Energy: 0.5559972283642257
Energy: 0.5776679441094549
Energy: 0.5636344620657372
Energy: 0.5849012600188409
Energy: 0.5869317051704719
Energy: 0.5621649796117342
Energy: 0.5815987794064714
Energy: 0.5791490568933226
Energy: 0.556790921004293
Energy: 0.5733395617671926
Energy: 0.5609610969278941
Energy: 0.5279810716052205
Energy: 0.5721362987831828
Energy: 0.5605179420271973
Energy: 0.5779918668829683
Energy: 0.5706155395282845
Energy: 0.5709572992651215
Energy: 0.5676795820623393
Energy: 0.5748888841056979
Energy: 0.5622367561375085
Energy: 0.5669633098881833
Energy: 0.5082086820141708
Energy: 0.5526317227898849
Energy: 0.5667758770021246
Energy: 0.5046077907924184
Energy: 0.573233171149012
Energy: 0.5734579019621164
Energy: 0.5725802641408643
Energy: 0.574841633349361
Energy: 0.5720210874903089
Energy: 0.527950037270551
Energy: 0.5737296269501446
Energy: 0.5740118922678465
Energy: 0.5334502208660405
Energy: 0.5344411812289821
Energy: 0.5747108745480692
Energy: 0.5306793457988821
Energy: 0.5411065287422934
Energy: 0.5674731179576457
Energy: 0.5529612781330524
Energy: 0.5531624318192729
Energy: 0.5062755028022329
Energy: 0.5611879429075274
Energy: 0.5543604487345735
Energy: 0.5115279146451173
Energy: 0.5508617561597596
Energy: 0.5516137318082437
Energy: 0.512015963727477
Energy: 0.5357704992480304
Energy: 0.5062694291650741
Energy: 0.5056473101257368
Energy: 0.5109805374443377
Energy: 0.5449889553177526
Energy: 0.5054165425546157
Energy: 0.5070903179899465
Energy: 0.505931379089385
Energy: 0.5581159569703598
Energy: 0.545599080812618
Energy: 0.5447019103400771
Energy: 0.5060237803624265
Energy: 0.5602023626641265
Energy: 0.5440061750403756
Energy: 0.5602418592270021
Energy: 0.509961437154974
Energy: 0.5115360877242389
Energy: 0.560938824034169
Energy: 0.5068569646467121
Energy: 0.5066995024967019
Energy: 0.5617724136193117
Energy: 0.554625211107981
Energy: 0.5527467940639545
Energy: 0.5360061593907312
Energy: 0.5736550607849662
Energy: 0.5507887602132875
Energy: 0.5347184834802788
Energy: 0.5036747716979874
Energy: 0.5432966595045458
Energy: 0.5350132562213975
Energy: 0.49973064961285724
Energy: 0.5379626865970702
Energy: 0.5279354409395799
Energy: 0.5744373639053134
Energy: 0.5752324106927869
Energy: 0.5281026252807296
Energy: 0.5785881966165121
Energy: 0.5303455175455609
Energy: 0.5546027389784158
Energy: 0.570550753173808
Energy: 0.5568344119326997
Energy: 0.5129877945287481
Energy: 0.5704510038995324
Energy: 0.5562761586063438
Energy: 0.5721760691256434
Energy: 0.5695001152824034
Energy: 0.5692197810649835
Energy: 0.5725340620628899
Energy: 0.5623806371163055
Energy: 0.5759824213308093
Energy: 0.5648673553815556
Energy: 0.5748981673005238
Energy: 0.5814299062466567
Energy: 0.5654501780038373
Energy: 0.5505426183842479
Energy: 0.5804565639655516
Energy: 0.6164648660670172
Energy: 0.5588514936880964
Energy: 0.5719283754474747
Energy: 0.5888022757221917
Energy: 0.5119794353250875
Energy: 0.5803891725934239
Energy: 0.5811229357411979
Energy: 0.5677346034531189
Energy: 0.5716965054467027
Energy: 0.5790109543783827
Energy: 0.5725530599271479
Energy: 0.5666809685223716

minimum gb energy = 0.49973064961285724 eV
minimum distance =  2.50398702200363 Angstroms
sigma value = 33


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

Energy: 0.725319138357633
Energy: 0.6812092814283729
Energy: 0.6884780529326725
Energy: 0.606676333114409
Energy: 0.6775294667950997
Energy: 0.6945091760171906
Energy: 0.7594475191296297
Energy: 0.6788542281880339
Energy: 0.5989467602134005
Energy: 0.6356941989826179
Energy: 0.6784597018771735
Energy: 0.6153249757939184
Energy: 0.7542327821516905
Energy: 0.6874293466726259
Energy: 0.6973808863681229
Energy: 0.6677651846255231
Energy: 0.6858052176571486
Energy: 0.6964938685358534
Energy: 0.6852607173881236
Energy: 0.6892633445850503
Energy: 0.6975573775514576
Energy: 0.6868797869749312
Energy: 0.7022259165263807
Energy: 0.6975278914990749
Energy: 0.6840562867812281
Energy: 0.6725543929270054
Energy: 0.6460146021970343
Energy: 0.678193839837676
Energy: 0.6472017393643531
Energy: 0.6490893408217384
Energy: 0.6828808963317154
Energy: 0.6940709416881263
Energy: 0.7032285157469782
Energy: 0.6406319932755605
Energy: 0.6934048349626688
Energy: 0.6681932051831451
Energy: 0.6836862241983458
Energy: 0.6636505269088047
Energy: 0.6646486257139649
Energy: 0.6775308388831255
Energy: 0.6629984967004786
Energy: 0.6782620955989752
Energy: 0.6856603235362811
Energy: 0.6716371895199691
Energy: 0.6710929577653317
Energy: 0.6867990597893899
Energy: 0.6739540201543368
Energy: 0.6774212892865592
Energy: 0.7006886660712744
Energy: 0.6862729264430759
Energy: 0.6974029183656777
Energy: 0.6560745257154593
Energy: 0.6618334597786305
Energy: 0.6975560915882266
Energy: 0.7005718963124612
Energy: 0.6425991126147372
Energy: 0.6384976837176098
Energy: 0.7004275318913146
Energy: 0.6401959633098566
Energy: 0.6383064275765077
Energy: 0.7007215532184616
Energy: 0.6861837427137688
Energy: 0.6927803087163639
Energy: 0.6490706921348246
Energy: 0.6774369481539672
Energy: 0.6906895851892186
Energy: 0.6421117414697713
Energy: 0.6787927257742896
Energy: 0.6692821466094262
Energy: 0.6422467871094087
Energy: 0.6396816967586375
Energy: 0.6423465706751244
Energy: 0.642346842338651
Energy: 0.6553659185294769
Energy: 0.6679174245911299
Energy: 0.642149452054348
Energy: 0.6574441677759006
Energy: 0.6424612358970353
Energy: 0.6821314406101451
Energy: 0.6874871309992945
Energy: 0.6961876854930235
Energy: 0.6275039686801788
Energy: 0.6934588612553161
Energy: 0.6344765387177419
Energy: 0.6666460920523158
Energy: 0.6956031840860721
Energy: 0.6675717776118351
Energy: 0.6654427174883344
Energy: 0.6947959279793251
Energy: 0.6667362242240186
Energy: 0.6843077433437745
Energy: 0.6970781662309996
Energy: 0.6967421261673936
Energy: 0.6850195509480123
Energy: 0.636783033448781
Energy: 0.6907426310658143
Energy: 0.7470944230635221
Energy: 0.6672526034066822
Energy: 0.6785861801120986
Energy: 0.7475829505919701
Energy: 0.6642947835956569
Energy: 0.6966418650706488
Energy: 0.7483267813437894
Energy: 0.6677235270630895
Energy: 0.66758584710919
Energy: 0.6867045710636055
Energy: 0.6663257899566997
Energy: 0.7055594989259047
Energy: 0.6381720895919581
Energy: 0.7269621380622823
Energy: 0.6558537565629765
Energy: 0.5986830417415724
Energy: 0.7368698009926551
Energy: 0.6418607562106218
Energy: 0.6629570151557057
Energy: 0.7105568800273059
Energy: 0.7035720018033917
Energy: 0.650337085530624
Energy: 0.7035531053824832
Energy: 0.681423461493321
Energy: 0.7475138758798578
Energy: 0.7147377608355593
Energy: 0.6986453953706773
Energy: 0.7481973458487476
Energy: 0.700682148639391
Energy: 0.699618308785966
Energy: 0.7017781708931289
Energy: 0.6871972781921055
Energy: 0.6976423815642352
Energy: 0.7016960382565234
Energy: 0.6852524504016737
Energy: 0.696516127684811
Energy: 0.6940025030764754
Energy: 0.7022845145521512
Energy: 0.6815513956700201
Energy: 0.6864039432329914
Energy: 0.7126731270243849
Energy: 0.6726621512078617
Energy: 0.681574643564143
Energy: 0.6900836194098676
Energy: 0.6895118044739695
Energy: 0.6155433315068821
Energy: 0.6887918125752636
Energy: 0.6700191409086992
Energy: 0.688119223565908
Energy: 0.6519678809764538
Energy: 0.6520811232588047
Energy: 0.6820794928947468
Energy: 0.6534424223949639
Energy: 0.6816411507616483
Energy: 0.6900127798865634
Energy: 0.6777351155538639
Energy: 0.671461015372218
Energy: 0.690056955208266
Energy: 0.6763295564551853
Energy: 0.6815975890428554
Energy: 0.6992553531339295
Energy: 0.6667097831287294
Energy: 0.7028776967451553
Energy: 0.6999632223402751
Energy: 0.698154694914766
Energy: 0.70444570571472
Energy: 0.7002784012033825
Energy: 0.6428294961763029
Energy: 0.6384120174607523
Energy: 0.6992783262801294
Energy: 0.6407088049603488
Energy: 0.6378921247043242
Energy: 0.6988286970543119
Energy: 0.6653674431037141
Energy: 0.6813526025691933
Energy: 0.6626060223358708
Energy: 0.6653636145712586
Energy: 0.6480258952970861
Energy: 0.6383352513269105
Energy: 0.6663343720367032
Energy: 0.6706980967080396
Energy: 0.6393775631491856
Energy: 0.6405103409234868
Energy: 0.6384681539992374
Energy: 0.6433368324203732
Energy: 0.6642111266521322
Energy: 0.668497366812111
Energy: 0.6391268947828991
Energy: 0.6656423560821274
Energy: 0.6386486594508463
Energy: 0.6823218810848118
Energy: 0.6755050625792454
Energy: 0.6946776494206188
Energy: 0.6276428691628988
Energy: 0.6823799570877697
Energy: 0.6585410223491128
Energy: 0.6877033624436735
Energy: 0.6367879032843416
Energy: 0.6152363705496514
Energy: 0.6863669067840203
Energy: 0.6403015295237672
Energy: 0.6146642743819326
Energy: 0.6748700200112998
Energy: 0.6584226891778695
Energy: 0.6782045419939794
Energy: 0.6780716353249877
Energy: 0.6364787023462833
Energy: 0.6439790055722413
Energy: 0.7821764208159903
Energy: 0.6670085377410891
Energy: 0.6782728155128228
Energy: 0.6706838317378718
Energy: 0.627050905275831
Energy: 0.6960846697623359
Energy: 0.7596727300840995
Energy: 0.6357939644306791
Energy: 0.6659481084892527
Energy: 0.6359024580781376
Energy: 0.6347727025682467
Energy: 0.6761936362955266
Energy: 0.6817933542652704
Energy: 0.6576775126478994
Energy: 0.6571494578578777
Energy: 0.6022379049097843
Energy: 0.6610616568416536
Energy: 0.6869172114664654

minimum gb energy = 0.5986830417415724 eV
minimum distance =  2.47170035635961 Angstroms
sigma value = 41


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

Energy: 0.8014365829637077
Energy: 0.7693126607477435
Energy: 0.7025899781046213
Energy: 0.7049562014228793
Energy: 0.7317224472948919
Energy: 0.7041480894779379
Energy: 0.8272139894062861
Energy: 0.7144376706479826
Energy: 0.7129550064180191
Energy: 0.7318817091580039
Energy: 0.714259783939701
Energy: 0.7003343859290527
Energy: 0.8306318496376804
Energy: 0.6992015898438486
Energy: 0.6980837393023779
Energy: 0.7350736795250535
Energy: 0.7011429594950158
Energy: 0.6981237311181683
Energy: 0.7354108157532133
Energy: 0.6993498832006391
Energy: 0.6981165657223026
Energy: 0.7354176689551185
Energy: 0.7012216446334715
Energy: 0.6998471953811194
Energy: 0.722319721925512
Energy: 0.712748093308827
Energy: 0.6999921220913455
Energy: 0.7160025762575681
Energy: 0.720826092909366
Energy: 0.6998672421981483
Energy: 0.7291719832315626
Energy: 0.701296887853324
Energy: 0.6995528743106603
Energy: 0.7137133585058546
Energy: 0.7138486405255425
Energy: 0.6989727239144524
Energy: 0.7217290722039236
Energy: 0.7186348302864233
Energy: 0.6999411606179822
Energy: 0.715295239952143
Energy: 0.7042947743613511
Energy: 0.7004447343952964
Energy: 0.726913097378863
Energy: 0.7004673495944145
Energy: 0.6994397279248914
Energy: 0.7278180925837014
Energy: 0.7023899149651046
Energy: 0.7007021777702476
Energy: 0.749234354470926
Energy: 0.7011881566012953
Energy: 0.6993025775863972
Energy: 0.691290945699588
Energy: 0.7017630065340807
Energy: 0.6996657965123385
Energy: 0.7349392617825424
Energy: 0.7035096285247484
Energy: 0.700833933332822
Energy: 0.7026389837962942
Energy: 0.7226867985663393
Energy: 0.6997783554879444
Energy: 0.722365073056365
Energy: 0.7136719650318151
Energy: 0.7008111695249398
Energy: 0.701429234047256
Energy: 0.6885481948281829
Energy: 0.7017103465747133
Energy: 0.8249757041882025
Energy: 0.6886046754873639
Energy: 0.6883466252348068
Energy: 0.8254942363969031
Energy: 0.6929136556625969
Energy: 0.6888110012936652
Energy: 0.8329723166810324
Energy: 0.7023979522571432
Energy: 0.711481520047171
Energy: 0.7241375097883227
Energy: 0.7027422273007057
Energy: 0.7131150599518552
Energy: 0.687954715456924
Energy: 0.7248817463368484
Energy: 0.6885594741673395
Energy: 0.6906277727276265
Energy: 0.7356892687159177
Energy: 0.6887895918147108

minimum gb energy = 0.687954715456924 eV
minimum distance =  2.5067839432079 Angstroms
sigma value = 11


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

Energy: 0.8411208129782958
Energy: 0.882673559328828
Energy: 0.8118183196930909
Energy: 0.8260256712842041
Energy: 0.8237254979635515
Energy: 0.7900745067570414
Energy: 0.9588386735196055
Energy: 0.8162980605822766
Energy: 0.8128764036447456
Energy: 0.8151614598470656
Energy: 0.8119392151380269
Energy: 0.8284482778854577
Energy: 0.8510180027564338
Energy: 0.790990367015434
Energy: 0.7907339278802468
Energy: 0.8166680093291341
Energy: 0.7916838181282875
Energy: 0.8033549429565443
Energy: 0.8362835659025437
Energy: 0.810618693175079
Energy: 0.8105619699981045
Energy: 0.8134001515023476
Energy: 0.8116072537791119
Energy: 0.810977659302987
Energy: 0.8264430003013756
Energy: 0.8177678507875781
Energy: 0.815983159683592
Energy: 0.8192807986050191
Energy: 0.8146654574131048
Energy: 0.8152602248593973
Energy: 0.8461590109328264
Energy: 0.8006562853209788
Energy: 0.803954075145691
Energy: 0.8080135905476804
Energy: 0.8016222144122064
Energy: 0.805216963192508
Energy: 0.8342273039752902
Energy: 0.8063086242622896
Energy: 0.8050137840321785
Energy: 0.8033861816931926
Energy: 0.8033300707329721
Energy: 0.8043259566503211
Energy: 0.8298057481566575
Energy: 0.8168413278290485
Energy: 0.8163983402011062
Energy: 0.8113276012592994
Energy: 0.804435035037225
Energy: 0.8156925424335587
Energy: 0.8096228514784874
Energy: 0.8151329735426912
Energy: 0.8146144840470407
Energy: 0.8008091235210302
Energy: 0.8155755339040727
Energy: 0.8137241782185227
Energy: 0.8087941521125558
Energy: 0.815116618984462
Energy: 0.8144794252799834
Energy: 0.7908787529525563
Energy: 0.8152711564259215
Energy: 0.8149471489256479
Energy: 0.830396306496027
Energy: 0.8187279612887008
Energy: 0.8173163062205409
Energy: 0.8113516819865275
Energy: 0.8306881957532857
Energy: 0.8145357309322576
Energy: 0.8114876401366545
Energy: 0.8004320346966595
Energy: 0.8002528740690676
Energy: 0.811706522803348
Energy: 0.7914373050883363
Energy: 0.8119392841167224
Energy: 0.821611225273572
Energy: 0.8115539953798335
Energy: 0.8112282966767236
Energy: 0.8082544339359709
Energy: 0.8125295691919352
Energy: 0.8111113612221288
Energy: 0.8211916467587531
Energy: 0.8174630511270965
Energy: 0.8049326192041636
Energy: 0.806333516371494
Energy: 0.8174520760076738
Energy: 0.7927354147202219
Energy: 0.8114322688385832
Energy: 0.8113675598770197
Energy: 0.8101669204131756
Energy: 0.8069955472304197
Energy: 0.8122699284974515
Energy: 0.8099451686397903
Energy: 0.8064022906674566
Energy: 0.8118202363127288
Energy: 0.8107450707586578
Energy: 0.8074845468431643
Energy: 0.8129082521666171
Energy: 0.8107962947243479
Energy: 0.8061079362366624
Energy: 0.814641182033349
Energy: 0.7997104525248849
Energy: 0.7994599914967804
Energy: 0.8022583696111907
Energy: 0.8022100900255852
Energy: 0.8366469433423261
Energy: 0.8398688676812174
Energy: 0.8434296927879548
Energy: 0.8241247285314507
Energy: 0.8500495767476595
Energy: 0.8157081330009165
Energy: 0.822284439421337
Energy: 0.8126610923916696
Energy: 0.8113640635751739
Energy: 0.8047887970948594
Energy: 0.8126678292138739
Energy: 0.8109928393792484
Energy: 0.8241295363559161
Energy: 0.7892769488712224
Energy: 0.7894487665520983
Energy: 0.8119703075791002
Energy: 0.7893393574559008
Energy: 0.8125564344292652
Energy: 0.884899725086004
Energy: 0.8137733875428197
Energy: 0.8056139417201595
Energy: 0.8103534522927411
Energy: 0.8132404355374017
Energy: 0.8118869096965058
Energy: 0.8408829089454076
Energy: 0.8125523746014801
Energy: 0.8118697002670537
Energy: 0.8076283948149443
Energy: 0.8111350946615972
Energy: 0.8103699749514948
Energy: 0.8189685644764877
Energy: 0.8143727874321703
Energy: 0.8017465266057727
Energy: 0.7935729797162252
Energy: 0.8129960590961364
Energy: 0.8039075055754467
Energy: 0.8842219593674748
Energy: 0.7984836661873067
Energy: 0.8113193278392019
Energy: 0.8107357705781888
Energy: 0.7989698970094882
Energy: 0.8113801247023106
Energy: 0.8603400105326034
Energy: 0.8043446481650223
Energy: 0.817957963891189
Energy: 0.8511802359057928
Energy: 0.813921333967939
Energy: 0.8171955260220624
Energy: 0.8578253662113089
Energy: 0.7955182774056523
Energy: 0.8157620468480482
Energy: 0.8132298641947682
Energy: 0.7949711575913485
Energy: 0.8109298289857321
Energy: 0.8494767967450211
Energy: 0.8109267578535676
Energy: 0.8117777084160436
Energy: 0.8129925808597245
Energy: 0.8078398829965513
Energy: 0.8102349017653077
Energy: 0.8500721657388701
Energy: 0.811950767928453
Energy: 0.8107313042776686
Energy: 0.8118077955318244
Energy: 0.8067167245209431
Energy: 0.8102111540614081
Energy: 0.8568681389535547
Energy: 0.7946807544082757
Energy: 0.7942245537656373
Energy: 0.8174628669211315
Energy: 0.8123484611494283
Energy: 0.8049225292518118
Energy: 0.9604210641872276
Energy: 0.8031419734699471
Energy: 0.814189950005032
Energy: 0.8124234712197954
Energy: 0.8092842795490272
Energy: 0.8108861719281133
Energy: 0.8274620762815122
Energy: 0.8094713516944746
Energy: 0.8094340047830428
Energy: 0.7900919430325408
Energy: 0.8118289317550014
Energy: 0.8126735987971597

minimum gb energy = 0.7892769488712224 eV
minimum distance =  2.49753869984603 Angstroms
sigma value = 57


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

Energy: 1.1378314560005824
Energy: 0.8402888070613027
Energy: 0.8170649027847567
Energy: 0.8090012465885487
Energy: 0.8409602558495838
Energy: 0.8187579072763383
Energy: 0.8667909953688087
Energy: 0.8227753859260298
Energy: 0.8207617971391704
Energy: 0.8203109316628877
Energy: 0.8230949225775361
Energy: 0.8217321207492155
Energy: 0.8403527409213102
Energy: 0.8188726018884801
Energy: 0.8187107284080221
Energy: 0.8226084839166936
Energy: 0.8192723031720931
Energy: 0.8219918645933969
Energy: 0.8323760683720505
Energy: 0.821563778950877
Energy: 0.8222926851514195
Energy: 0.8236803300054515
Energy: 0.8200005737309158
Energy: 0.8216148857294523
Energy: 0.837935418531192
Energy: 0.8217312406774888
Energy: 0.8213058689979627
Energy: 0.8217615358968078
Energy: 0.8230289694849923
Energy: 0.8221819226424241
Energy: 0.8342834992812258
Energy: 0.8215164548746674
Energy: 0.8210126790727373
Energy: 0.8211416137763509
Energy: 0.8380656982281014
Energy: 0.8207664523773487
Energy: 0.8625382686454579
Energy: 0.8100551767703741
Energy: 0.811223693663951
Energy: 0.8210570423348014
Energy: 0.8407877901054651
Energy: 0.8207490969455885
Energy: 0.9097471760265484
Energy: 0.8210053480781607
Energy: 0.8214779988165425
Energy: 0.8230877623896571
Energy: 0.8219305575901442
Energy: 0.8221465422609796
Energy: 0.8084557937083015
Energy: 0.8225790263228747
Energy: 0.8128218433721657
Energy: 0.8110062130641071
Energy: 0.8221991932117432
Energy: 0.8127476646478112
Energy: 0.8075957359853467
Energy: 0.8225869671483934
Energy: 0.8132811276610186
Energy: 0.8106373242708617
Energy: 0.8225777776005939
Energy: 0.812600481523365
Energy: 0.9095881684780229
Energy: 0.8264068244003454
Energy: 0.8269558219993061
Energy: 0.8234474735518438
Energy: 0.8228571734261135
Energy: 0.822190604048642
Energy: 0.8304609309347236
Energy: 0.8205604330564439
Energy: 0.8217326269996466
Energy: 0.8232440982502077
Energy: 0.8194663717834053
Energy: 0.8211786243694134
Energy: 0.838303545085162
Energy: 0.8206448371459469
Energy: 0.8214044652454329
Energy: 0.8214518212955018
Energy: 0.8209309082857421
Energy: 0.8208794212892292
Energy: 0.8325818969867855
Energy: 0.8218744285665848
Energy: 0.8209984937595532
Energy: 0.8210246173667312
Energy: 0.83969165628042
Energy: 0.8204400185259871
Energy: 0.8375962609959853
Energy: 0.8114847433789291
Energy: 0.8229317495870527
Energy: 0.8216024105360932
Energy: 0.80926958863173
Energy: 0.8233053821655175
Energy: 0.8452156443823328
Energy: 0.8103091465761817
Energy: 0.8204542650678665
Energy: 0.8230487688198389
Energy: 0.8117821363395773
Energy: 0.8210116205418795
Energy: 0.8080414888599446
Energy: 0.8221492636735013
Energy: 0.8221186936958292
Energy: 0.8098942314689235
Energy: 0.8231089906494109
Energy: 0.8222290192619574

minimum gb energy = 0.8075957359853467 eV
minimum distance =  2.51311959101685 Angstroms
sigma value = 9


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

Energy: 1.3967106448509572
Energy: 0.8749197780525373
Energy: 0.8502612586183318
Energy: 0.8495885781798312
Energy: 0.8863637524391961
Energy: 0.8494491795592298
Energy: 0.8825111148482435
Energy: 0.8596849052527529
Energy: 0.8535693717185203
Energy: 0.8553223744986159
Energy: 0.859664421649941
Energy: 0.8551210379034346
Energy: 0.8814744137637639
Energy: 0.8571354957601359
Energy: 0.8562326092675424
Energy: 0.840391732802691
Energy: 0.8607179917159332
Energy: 0.8543728392101106
Energy: 0.8610201646426419
Energy: 0.8517727465985302
Energy: 0.851269201755706
Energy: 0.858113923472627
Energy: 0.8560239899734267
Energy: 0.8534197957744077
Energy: 0.8599788252425938
Energy: 0.843553675571554
Energy: 0.8460645111134396
Energy: 0.8423731808588344
Energy: 0.845223711415539
Energy: 0.846770781277439
Energy: 0.8607051215238217
Energy: 0.8454048866225535
Energy: 0.8435472731678806
Energy: 0.8490631336502877
Energy: 0.848626416322861
Energy: 0.8432461798610617
Energy: 0.8598090483758736
Energy: 0.8457536336525221
Energy: 0.8635382698587233
Energy: 0.8391693610108052
Energy: 0.8471185970338759
Energy: 0.8632120169895167
Energy: 0.9016237008985224
Energy: 0.8483696925419528
Energy: 0.8470488494666842
Energy: 0.8454033322858462
Energy: 0.845214860337213
Energy: 0.8472904674962105
Energy: 0.9073050146156907
Energy: 0.8431458296169944
Energy: 0.8454510033127957
Energy: 0.8524676931990497
Energy: 0.8413793311713621
Energy: 0.8539060882399224
Energy: 0.9080838411775244
Energy: 0.8437121781613596
Energy: 0.8463266713691906
Energy: 0.8536696556727059
Energy: 0.8417750316634297
Energy: 0.8411550969871692
Energy: 0.9014363099253584
Energy: 0.8436336838897098
Energy: 0.8418812262666244
Energy: 0.841552019114152
Energy: 0.8499312220495382
Energy: 0.840720156851638
Energy: 0.9000014707717388
Energy: 0.8600169538448904
Energy: 0.8568215775741393
Energy: 0.8588964926852686
Energy: 0.8595032774798876
Energy: 0.8549346011578361
Energy: 0.907201184378625
Energy: 0.85328472775528
Energy: 0.8535670577524331
Energy: 0.8499698333532295
Energy: 0.8544541174269195
Energy: 0.842355184121658
Energy: 0.9047427149323846
Energy: 0.8560382604612294
Energy: 0.8539794371511212
Energy: 0.8663125381996339
Energy: 0.8577316208102492
Energy: 0.8531590450604809
Energy: 0.8974213123655896
Energy: 0.8457010411899198
Energy: 0.843603000622669
Energy: 0.8449217543420383
Energy: 0.8475312286176739
Energy: 0.8416559619378422
Energy: 0.882509402076993
Energy: 0.8555420702891355
Energy: 0.8449006099191169
Energy: 0.843040412799188
Energy: 0.858329971060679
Energy: 0.8450193095013011
Energy: 0.881736144545228
Energy: 0.8556805203744379
Energy: 0.854878364420991
Energy: 0.8559533561927232
Energy: 0.8550732095924709
Energy: 0.8556978045397495
Energy: 0.883915656356229
Energy: 0.8472442803187311
Energy: 0.84302543413865
Energy: 0.8733990973327128
Energy: 0.8590799935860408
Energy: 0.8424023663567379
Energy: 0.8877109853671561
Energy: 0.859168496533261
Energy: 0.8566076836312279
Energy: 0.8542436532258629
Energy: 0.8425014454671004
Energy: 0.8546083258994258
Energy: 0.8825252778409193
Energy: 0.8571454171098738
Energy: 0.8561580744093175
Energy: 0.8539765705133684
Energy: 0.8548996693066485
Energy: 0.8548500476686024
Energy: 0.8906768572787427
Energy: 0.8590940348833255
Energy: 0.8595442182079807
Energy: 0.84248700014676
Energy: 0.8585812844615301
Energy: 0.8604302237320235

minimum gb energy = 0.8391693610108052 eV
minimum distance =  2.47311571832571 Angstroms
sigma value = 27


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

Energy: 1.3352571330015814
Energy: 1.2489651566046047
Energy: 0.8190545340660741
Energy: 0.8171905164681521
Energy: 1.249868867165895
Energy: 0.8191672305147266
Energy: 0.912827877269124
Energy: 0.8318400753907572
Energy: 0.8316708600765644
Energy: 0.8398419809103747
Energy: 0.8393054248819578
Energy: 0.8295921040497197
Energy: 0.8616071241696411
Energy: 0.8362159666775271
Energy: 0.8370094800398012
Energy: 0.8450223418164032
Energy: 0.8271309398221007
Energy: 0.8431755272007854
Energy: 0.8599203578775179
Energy: 0.8350528854905123
Energy: 0.841004951277728
Energy: 0.8458900187456654
Energy: 0.8353202426992271
Energy: 0.8368654726101055
Energy: 0.8709018078820292
Energy: 0.8332789325072828
Energy: 0.8335016226691127
Energy: 0.8179748948581661
Energy: 0.8297788560858765
Energy: 0.8280920312677597
Energy: 0.8745309907562835
Energy: 0.838213407829005
Energy: 0.8365147576851799
Energy: 0.8404856210506313
Energy: 0.8397079951103373
Energy: 0.836382472502907
Energy: 0.8537409735996553
Energy: 0.8328584739365211
Energy: 0.8317159544760123
Energy: 0.8400904622004359
Energy: 0.825293686308098
Energy: 0.831111585795469
Energy: 0.88458476183122
Energy: 0.8313766073299877
Energy: 0.8435356210680766
Energy: 0.8464352426977282
Energy: 0.8318416072598205
Energy: 0.8426278142982219
Energy: 0.8625393156387434
Energy: 0.8313710728865544
Energy: 0.8297439159806995
Energy: 0.8472636773121508
Energy: 0.8309716903807379
Energy: 0.8262568591127329
Energy: 0.8784486589960554
Energy: 0.8360791306067642
Energy: 0.8361925822972848
Energy: 0.8423240652682459
Energy: 0.8363216520689523
Energy: 0.8403051927519783
Energy: 0.8840525288433655
Energy: 0.8431917096726105
Energy: 0.8412590975887465
Energy: 0.8454697728042443
Energy: 0.8169402072626666
Energy: 0.8409447370310399
Energy: 0.8954852977934424
Energy: 0.8459603550083015
Energy: 0.8439126273991493
Energy: 0.8432860301890485
Energy: 0.8494744965759151
Energy: 0.8433104835057599
Energy: 0.936430580575368
Energy: 0.8494589306827816
Energy: 0.8406287184549258
Energy: 0.8483020104217451
Energy: 0.8498728371483143
Energy: 0.8408939767313167
Energy: 0.9296117016602129
Energy: 0.8430314340610828
Energy: 0.8420060294934989
Energy: 0.8408149236477666
Energy: 0.8453239335496094
Energy: 0.8427093830056009
Energy: 0.8875067668207143
Energy: 0.8357743838526014
Energy: 0.8397717890494844
Energy: 0.8492694069639902
Energy: 0.8362363204269136
Energy: 0.8400341691551617
Energy: 0.864182856995034
Energy: 0.8360680984415342
Energy: 0.8346289089164759
Energy: 0.8461232355796282
Energy: 0.8379259849585028
Energy: 0.834251116788555
Energy: 0.8713032041676002
Energy: 0.8418346765984518
Energy: 0.8334015363227794
Energy: 0.8175531024528079
Energy: 0.8425546846536419
Energy: 0.8328900024578513
Energy: 0.877443874266221
Energy: 0.8416284104531525
Energy: 0.8393474507489788
Energy: 0.8375717634601906
Energy: 0.839338924673572
Energy: 0.8390396476081964
Energy: 0.8539853894954093
Energy: 0.8363050311778142
Energy: 0.834063325647671
Energy: 0.8450571809176805
Energy: 0.8283358336466111
Energy: 0.8332207990169833
Energy: 0.8597274649422433
Energy: 0.8364668845618727
Energy: 0.8342001315503134
Energy: 0.8385045319619379
Energy: 0.8284020247718505
Energy: 0.8330978000586513
Energy: 0.8599064860255191
Energy: 0.830821636553258
Energy: 0.8407798530507273
Energy: 0.8395872756029421
Energy: 0.8312708949263977
Energy: 0.8408328408514436
Energy: 0.8680556649740994
Energy: 0.8304241409649424
Energy: 0.8335679103628089
Energy: 0.8231048067553224
Energy: 0.8332299713898504
Energy: 0.835492626968616
Energy: 0.8800108092766771
Energy: 0.8370879046642052
Energy: 0.8367552260614316
Energy: 0.8312269569575498
Energy: 0.8385145131292003
Energy: 0.8371458759739275
Energy: 0.8593509724717038
Energy: 0.8441394639985188
Energy: 0.835856948390743
Energy: 0.8372278664276598
Energy: 0.847008320223714
Energy: 0.8344317860021803
Energy: 0.9381970573988424
Energy: 0.8488541777384537
Energy: 0.8497467187721155
Energy: 0.8170601027085045
Energy: 0.8486105025819833
Energy: 0.8163740033610632

minimum gb energy = 0.8163740033610632 eV
minimum distance =  2.48965607503629 Angstroms
sigma value = 19


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

Energy: 0.8776129485248656
Energy: 0.8209767514023103
Energy: 0.8339442659833087
Energy: 0.8258969791038338
Energy: 0.8230598109158815
Energy: 0.8340061222985835
Energy: 0.8628426444490229
Energy: 0.8162107661976503
Energy: 0.8169540598469495
Energy: 0.8155444814687316
Energy: 0.819633739263746
Energy: 0.8171343535733613
Energy: 0.8570956185273223
Energy: 0.8161525438688534
Energy: 0.8148982106750066
Energy: 0.8179831268774439
Energy: 0.8187375070118477
Energy: 0.8145609836961428
Energy: 0.8533464586754004
Energy: 0.8161388605482894
Energy: 0.8159407748534228
Energy: 0.8158562048102939
Energy: 0.8161563865594293
Energy: 0.8156315951035157
Energy: 0.8548042201522992
Energy: 0.8185731997486119
Energy: 0.8149486413631395
Energy: 0.8222415458007621
Energy: 0.8221495707919821
Energy: 0.8148796607127959
Energy: 0.859286531402058
Energy: 0.816651965772662
Energy: 0.8162123733446284
Energy: 0.8208203104384475
Energy: 0.8337024028636079
Energy: 0.8157248154612324
Energy: 0.866825007187516
Energy: 0.8158296683803368
Energy: 0.8148518994280062
Energy: 0.8163114561868853
Energy: 0.8180302875708144
Energy: 0.8151221014797387
Energy: 0.8524723784196724
Energy: 0.8172771151817598
Energy: 0.8163862764894902
Energy: 0.8198383609472107
Energy: 0.8194425571176686
Energy: 0.8168675899992849
Energy: 0.8480445762335481
Energy: 0.817095043099902
Energy: 0.8160638136822138
Energy: 0.8144858519739464
Energy: 0.8168437341068382
Energy: 0.8161077310164659
Energy: 0.8535429026477435
Energy: 0.8177735512356819
Energy: 0.8165891883937703
Energy: 0.8157184767091881
Energy: 0.8173688615623053
Energy: 0.8165682484885833
Energy: 0.8575775321205614
Energy: 0.8050048675447019
Energy: 0.8040515571236402
Energy: 0.8146176535297003
Energy: 0.801914521462982
Energy: 0.8044079907567034
Energy: 0.864941029707587
Energy: 0.8038196852944673
Energy: 0.8036184254773628
Energy: 0.8039506097261471
Energy: 0.822961908352013
Energy: 0.8034760180751247
Energy: 0.8692234818105495
Energy: 0.8102095365438621
Energy: 0.8159393898533421
Energy: 0.8040734746731468
Energy: 0.8121063718773733
Energy: 0.8157267285922429
Energy: 0.8889055170033625
Energy: 0.81808050344835
Energy: 0.8159489105870039
Energy: 0.8004575614902675
Energy: 0.8147467595324006
Energy: 0.814849347001965
Energy: 0.8646935516146587
Energy: 0.8052727801629295
Energy: 0.8048777658140762
Energy: 0.8043199877536431
Energy: 0.8029077847756382
Energy: 0.8051158100824994
Energy: 0.8699067550929386
Energy: 0.8016856033904673
Energy: 0.8018132215971675
Energy: 0.8087522463157709
Energy: 0.8070702568485271
Energy: 0.810704314762594
Energy: 0.8548739084950375
Energy: 0.816956259165908
Energy: 0.8234331484592067
Energy: 0.8088602453376573
Energy: 0.818529039144156
Energy: 0.8239488198124584
Energy: 0.8796200982008582
Energy: 0.8024675390885057
Energy: 0.8022918549155896
Energy: 0.7992295245755832
Energy: 0.8026091308804945
Energy: 0.8022211365597369
Energy: 0.8712961631945095
Energy: 0.8044622917522603
Energy: 0.8044136676188075
Energy: 0.8043060977790616
Energy: 0.8014818521704848
Energy: 0.8026304186243743
Energy: 0.8521286728574841
Energy: 0.8027055395003867
Energy: 0.8046331198720117
Energy: 0.820651771259132
Energy: 0.8014735846780109
Energy: 0.8024082806842887
Energy: 0.8254596082686548
Energy: 0.8027094372377523
Energy: 0.8028827040724092
Energy: 0.8019548272296291
Energy: 0.803276784976452
Energy: 0.8038265941168664
Energy: 0.8258418172654687
Energy: 0.8038394389906596
Energy: 0.803430807622902
Energy: 0.8218674462772472
Energy: 0.8040470087989734
Energy: 0.8034661382363152
Energy: 0.8423060609324564
Energy: 0.8005760398513541
Energy: 0.8012844519119231
Energy: 0.8214492531951041
Energy: 0.8011001870446945
Energy: 0.8079063080834468
Energy: 0.8576122779251821
Energy: 0.7984081895831513
Energy: 0.8040455090414783
Energy: 0.815554039975129
Energy: 0.7973525833541715
Energy: 0.8048888321106914
Energy: 0.8701042162989808
Energy: 0.8051003559470249
Energy: 0.8051401066143091
Energy: 0.8023268554065891
Energy: 0.8049677014099645
Energy: 0.8051965675257317
Energy: 0.8589071583202378
Energy: 0.8137875941577281
Energy: 0.8134995057853178
Energy: 0.8142317592842003
Energy: 0.8179988147230889
Energy: 0.8187078005893713
Energy: 0.8575318891941369
Energy: 0.8181687747792467
Energy: 0.8158805338812274
Energy: 0.8156862672394669
Energy: 0.81318185828082
Energy: 0.8157950733033572
Energy: 0.8576990033655332
Energy: 0.8157570815562319
Energy: 0.8167580975328078
Energy: 0.8150171779543877
Energy: 0.8151853513993813
Energy: 0.8166386952364333
Energy: 0.8743495534275344
Energy: 0.8506032955424764
Energy: 0.8438791572634173
Energy: 0.7980540804176676
Energy: 0.8583448659001692
Energy: 0.8043373523382232

minimum gb energy = 0.7973525833541715 eV
minimum distance =  2.4867881990264 Angstroms
sigma value = 101


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

Energy: 1.2344374093616473
Energy: 0.8028526501785426
Energy: 0.786517697532292
Energy: 0.768772178961393
Energy: 0.7870811068264855
Energy: 0.7826255072546943
Energy: 0.848760329687288
Energy: 0.7855986784376636
Energy: 0.7847279639708197
Energy: 0.7798577952772769
Energy: 0.7782413299405635
Energy: 0.7834114095033872
Energy: 0.8480691309959809
Energy: 0.7771947332017418
Energy: 0.7771933830084009
Energy: 0.7839996360963466
Energy: 0.7787387624552767
Energy: 0.7835064345748006
Energy: 0.8351221884654088
Energy: 0.7833472046332033
Energy: 0.7862058044611678
Energy: 0.782481468431165
Energy: 0.7835231122190696
Energy: 0.7863691984475644
Energy: 0.8086507507665839
Energy: 0.7846336423378281
Energy: 0.7857503017220971
Energy: 0.7926619361384379
Energy: 0.783839843171306
Energy: 0.7898201946544107
Energy: 0.8194798508682459
Energy: 0.7825243159713327
Energy: 0.782120729056144
Energy: 0.7839302040360537
Energy: 0.7832323858960467
Energy: 0.7822463074597601
Energy: 0.8193041703560109
Energy: 0.7750391596817972
Energy: 0.7753263473061083
Energy: 0.7989474425862215
Energy: 0.7765274975985922
Energy: 0.7830668752022232
Energy: 0.8202869917302249
Energy: 0.7787647843531621
Energy: 0.7801228594709907
Energy: 0.7965429948408632
Energy: 0.7782011116542533
Energy: 0.7819937098307499
Energy: 0.7974150605834858
Energy: 0.7842206516364576
Energy: 0.7789571272596949
Energy: 0.7804149211147636
Energy: 0.7819019469476187
Energy: 0.7770409913088996
Energy: 0.8061458287834903
Energy: 0.7926030259608785
Energy: 0.7910723655788222
Energy: 0.7788845050271102
Energy: 0.7809361692082242
Energy: 0.7791596134096177
Energy: 0.8425682729891814
Energy: 0.7663946452062236
Energy: 0.7671114546501692
Energy: 0.7820499992583078
Energy: 0.7670836437901825
Energy: 0.7785742026002778
Energy: 0.8517897405804227
Energy: 0.7872496292897762
Energy: 0.7863908202846394
Energy: 0.7801755680576855
Energy: 0.7794163381969389
Energy: 0.7866475829708166
Energy: 0.8164814542975406
Energy: 0.7822389196208435
Energy: 0.7861578313474813
Energy: 0.7790512834027999
Energy: 0.7820199200690254
Energy: 0.7785745630506947
Energy: 0.8234925501730818
Energy: 0.785890735897986
Energy: 0.7838337032985846
Energy: 0.7791548284535869
Energy: 0.7811327350884391
Energy: 0.78323448172025
Energy: 0.8490048770927221
Energy: 0.779613552600081
Energy: 0.7789884860703883
Energy: 0.7841170556683523
Energy: 0.7821217371454007
Energy: 0.7804804423661177
Energy: 0.8478480052429329
Energy: 0.7811736208209122
Energy: 0.7836630718931391
Energy: 0.7829556692755801
Energy: 0.7812813018493481
Energy: 0.7833833120786923
Energy: 0.8186959448651654
Energy: 0.8101285716993373
Energy: 0.7871760999350376
Energy: 0.7682597621826934
Energy: 0.8116010269017307
Energy: 0.7667012313786444
Energy: 0.8814664650908797
Energy: 0.7861286166416778
Energy: 0.7794035965483487
Energy: 0.7892398443827275
Energy: 0.7822611564396513
Energy: 0.785734801134484
Energy: 0.848437208955126
Energy: 0.779799400601615
Energy: 0.7800338016662505
Energy: 0.7812660314090972
Energy: 0.780750499485384
Energy: 0.7814903617195563
Energy: 0.8327571052856964
Energy: 0.7815393574698434
Energy: 0.7812128762006568
Energy: 0.7798155180515755
Energy: 0.7791820175009043
Energy: 0.7821501155800444
Energy: 0.8111672521105229
Energy: 0.7849734580106321
Energy: 0.7840509262764697
Energy: 0.7892468471423223
Energy: 0.78184379616966
Energy: 0.7849685361658966
Energy: 0.814896842917479
Energy: 0.7781752486929571
Energy: 0.7834026706034277
Energy: 0.7821835871827989
Energy: 0.7782179105994369
Energy: 0.7780972135324343
Energy: 0.8194665716731843
Energy: 0.7816180954355187
Energy: 0.7814353124584316
Energy: 0.7929618892962541
Energy: 0.7790385109177893
Energy: 0.7821101041280143
Energy: 0.8307549432225753
Energy: 0.7795637370891935
Energy: 0.7796725619891397
Energy: 0.7921679949101226
Energy: 0.7807012796494948
Energy: 0.7840662127072453
Energy: 0.804032600746355
Energy: 0.7859211055654145
Energy: 0.7829344336933418
Energy: 0.7794712869149005
Energy: 0.7872634670134352
Energy: 0.7813929525654002
Energy: 0.7980381504461777
Energy: 0.7882405691201158
Energy: 0.7852939864051792
Energy: 0.7803310261068018
Energy: 0.7797525881867376
Energy: 0.7839834461147618
Energy: 0.8110728161302598
Energy: 0.7671906843358786
Energy: 0.7676208616927287
Energy: 0.7756903645494826
Energy: 0.7686896955954274
Energy: 0.7688303935494719
Energy: 0.8491549604260594
Energy: 0.7664746534069169
Energy: 0.7749643554434967
Energy: 0.7808602695111097
Energy: 0.7771164228464862
Energy: 0.7828522061388715
Energy: 0.822365120991593
Energy: 0.7850343712070964
Energy: 0.782895557999924
Energy: 0.7771950540433787
Energy: 0.7840921538674475
Energy: 0.7812679500065774
Energy: 0.8189644577345543
Energy: 0.7840907220613456
Energy: 0.7824876346536529
Energy: 0.7792582229559746
Energy: 0.775647196911207
Energy: 0.7824384841917998
Energy: 0.8487645580360282
Energy: 0.7827827667567754
Energy: 0.7818552536816039
Energy: 0.7801947757658119
Energy: 0.784693815396459
Energy: 0.7827361864453928
Energy: 0.8475297535085836
Energy: 0.7788231704661294
Energy: 0.7831180210371046
Energy: 0.778699626388925
Energy: 0.7791480711926169
Energy: 0.7837998322682266
Energy: 0.818897909752203
Energy: 0.8089465123842832
Energy: 0.7886026320978666
Energy: 0.7713781231968118
Energy: 0.7846130113531036
Energy: 0.786740427455095

minimum gb energy = 0.7663946452062236 eV
minimum distance =  2.49676981285069 Angstroms
sigma value = 33


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

Energy: 0.014736008502678422
Energy: 0.8207913921537271
Energy: 0.01528200963809429
Energy: 0.016325947298131076
Energy: 0.8232518833143624
Energy: 0.015284171340296958
Energy: 0.3503095501934468
Energy: 0.09439305575504628
Energy: 0.0933682121015579
Energy: 0.09664136340038086
Energy: 0.09622259225729911
Energy: 0.09322520603566926
Energy: 1.0843452149178192
Energy: 0.8216553046627836
Energy: 0.8210826557708901
Energy: 0.8245878347827884
Energy: 0.8240709216785327
Energy: 0.8202697185868496
Energy: 0.015337637579644542
Energy: 0.09439305575466325
Energy: 0.0933682121019409
Energy: 0.09664136340225339
Energy: 0.0962225922569161
Energy: 0.0932252060349245

minimum gb energy = 0.014736008502678422 eV
minimum distance =  2.7165549799702 Angstroms
sigma value = 1