Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
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=90.0
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: 0.013024914424618759
Energy: 0.09086173469631773
Energy: 0.6600576356659262
Energy: 0.01356176195670425
Energy: 0.0908617346931279
Energy: 0.759385168098268
Energy: 0.01356176195724592
Energy: 0.759385168098268
Energy: 0.6600576356653844
Energy: 0.01356176195724592
Energy: 0.013024914424618759
Energy: 0.09086173469366957
Energy: 0.01356176195670425
Energy: 0.7593851680972147
Energy: 0.09086173469153298
Energy: 0.7593851680993211

minimum gb energy = 0.013024914424618759 eV
minimum distance =  2.65047481369519 Angstroms
sigma value = 1


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

Energy: 1.1935665834755402
Energy: 0.7789980473559593
Energy: 0.7794179530251293
Energy: 0.7355476136198551
Energy: 0.7571756517219813
Energy: 0.8034491486856824
Energy: 0.7558753770894745
Energy: 0.8034491486856824
Energy: 0.7780399712193127
Energy: 0.7789585706121195
Energy: 0.7701304505444059
Energy: 0.7789585706088648
Energy: 0.7573891696266893
Energy: 0.7582884051281007
Energy: 0.7558800955256204
Energy: 0.7582884051267869
Energy: 0.8039133026644016
Energy: 0.75606362494593
Energy: 0.7565401446844744
Energy: 0.75606362494593
Energy: 0.7584249352573484
Energy: 0.8122285671756331
Energy: 0.7574859124017433
Energy: 0.8122285671743192
Energy: 0.7955819785121472
Energy: 0.8127606370547407
Energy: 0.803830453085826
Energy: 0.8127606370514858
Energy: 0.7953232947234069
Energy: 0.8451434937437873
Energy: 0.7747584275188512
Energy: 0.8451434937437873
Energy: 0.802997914569052
Energy: 0.8373878034920487
Energy: 0.8035241017114112
Energy: 0.8373878034920487
Energy: 0.8036641787967768
Energy: 0.8389125925888136
Energy: 0.8048774673699497
Energy: 0.8389125925888136
Energy: 0.801839458991769
Energy: 0.8360808683409353
Energy: 0.8030578662643051
Energy: 0.8360808683402785
Energy: 0.805989907696051
Energy: 0.8350983450208569
Energy: 0.7728889628125625
Energy: 0.835098345019543
Energy: 0.7979396371154344
Energy: 0.8121413920796353
Energy: 0.8014164716628118
Energy: 0.8121413920770078
Energy: 0.7585467471313042
Energy: 0.812690907849224
Energy: 0.791004183248199
Energy: 0.8126909078498811
Energy: 0.8014505590674976
Energy: 0.7555062520875659
Energy: 0.7559834411081167
Energy: 0.755506252085625
Energy: 0.7323765883110643
Energy: 0.7556809969677825
Energy: 0.7576374994219656
Energy: 0.7556809969658117
Energy: 0.7792230786389057
Energy: 0.7792504039337548
Energy: 0.7332826699284849
Energy: 0.7792504039337548
Energy: 0.7557930496091746
Energy: 0.7564802914537094
Energy: 0.7781099669162039
Energy: 0.7564802914530525
Energy: 0.7712028887290266
Energy: 0.7788982034327881
Energy: 0.77977517255694
Energy: 0.7788982034334451
Energy: 0.7580869268682991
Energy: 0.7558303299674475
Energy: 0.7570476861627001
Energy: 0.7558303299654766
Energy: 0.7573918113494482
Energy: 0.7574816447371433
Energy: 0.8046621313287009
Energy: 0.7574816447384571
Energy: 0.7575907324340023
Energy: 0.7568459170025583
Energy: 0.7587363805715701
Energy: 0.7568459170005876
Energy: 0.8037536281787191
Energy: 0.8131727857427814
Energy: 0.793311390444608
Energy: 0.8131727857414676
Energy: 0.7707095039555405
Energy: 0.8127902771025266
Energy: 0.7938363335553058
Energy: 0.8127902771064682
Energy: 0.8038174769818538
Energy: 0.8373106127001815
Energy: 0.8033081233022598
Energy: 0.8373106127008383
Energy: 0.8035453219442358
Energy: 0.8347851615770036
Energy: 0.8049934532552339
Energy: 0.8347851615756897
Energy: 0.8029772395575605
Energy: 0.8360105967432692
Energy: 0.8021983557494925
Energy: 0.8360105967465538
Energy: 0.8048173372871769
Energy: 0.8356493958563713
Energy: 0.8039121452366479
Energy: 0.8356493958537435
Energy: 0.8015153118550804
Energy: 0.8126527609965039
Energy: 0.8279008085745727
Energy: 0.8126527609938762
Energy: 0.7925375512276173
Energy: 0.8151262754249997
Energy: 0.7572652500414749
Energy: 0.8151262754230288
Energy: 0.7555527088952547
Energy: 0.7555882080156614
Energy: 0.8021441252829845
Energy: 0.7555882080163182
Energy: 0.757656031484807
Energy: 0.7564588127317388
Energy: 0.732542044361057
Energy: 0.7564588127304249
Energy: 0.7331854775539656
Energy: 0.7573933533895091
Energy: 0.7799162007175291
Energy: 0.7573933533908229

minimum gb energy = 0.7323765883110643 eV
minimum distance =  2.39000416478681 Angstroms
sigma value = 1


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

Energy: 1.3543963784326913
Energy: 0.8220172274677321
Energy: 0.8219417785546991
Energy: 0.7718545825565478
Energy: 0.7985103355918206
Energy: 0.8459962405082636
Energy: 0.7984101972586367
Energy: 0.8459962405180008
Energy: 0.8216038289912465
Energy: 0.8212850204096442
Energy: 0.8126493508836955
Energy: 0.8212850204111423
Energy: 0.7985392706785396
Energy: 0.7998821880497681
Energy: 0.7982978399369622
Energy: 0.7998821880565092
Energy: 0.8131295853225284
Energy: 0.7981651125619306
Energy: 0.7983385056090418
Energy: 0.7981651125604665
Energy: 0.7985945365536126
Energy: 0.8969182863576862
Energy: 0.7986618961941796
Energy: 0.8969182863554392
Energy: 0.8450428528156948
Energy: 0.8653686040136145
Energy: 0.8494352339405339
Energy: 0.8653686040128655
Energy: 0.842118808665664
Energy: 0.8753926797626024
Energy: 0.816423492429249
Energy: 0.8753926797588573
Energy: 0.8498918773453366
Energy: 0.8860051539468026
Energy: 0.848132914123561
Energy: 0.8860051539512968
Energy: 0.814709704316598
Energy: 0.8859996713438081
Energy: 0.8499726413977535
Energy: 0.8859996713475531
Energy: 0.8476769418545932
Energy: 0.8642451084495046
Energy: 0.8460527110935012
Energy: 0.8642451084547477
Energy: 0.8384244331546655
Energy: 0.8665684996951041
Energy: 0.8013939626994397
Energy: 0.8665684996966021
Energy: 0.7988082996798176
Energy: 0.7980487076007149
Energy: 0.8477553575231559
Energy: 0.7980487076052091
Energy: 0.7985318465182696
Energy: 0.797943837896837
Energy: 0.7687394467282284
Energy: 0.797943837901331
Energy: 0.7694108645689993
Energy: 0.8221114525158916
Energy: 0.8212022960417118
Energy: 0.8221114525181386
Energy: 0.8271364700588826
Energy: 0.7981952841216405
Energy: 0.7983485005881783
Energy: 0.7981952841253857
Energy: 0.8238614875455865
Energy: 0.8221674400121174
Energy: 0.8128984791089449
Energy: 0.8221674400106195
Energy: 0.798441292640442
Energy: 0.7983047883400809
Energy: 0.79883227667361
Energy: 0.7983047883378339
Energy: 0.8132159601986609
Energy: 0.8014421194788706
Energy: 0.8002350287897918
Energy: 0.8014421194878588
Energy: 0.7985887480707752
Energy: 0.7981461794814617
Energy: 0.799586918456818
Energy: 0.7981461794732225
Energy: 0.8437096409601053
Energy: 0.8675227563381215
Energy: 0.8495355080253666
Energy: 0.8675227563351254
Energy: 0.8417349274836079
Energy: 0.8656799455938958
Energy: 0.8131556363732644
Energy: 0.8656799455923978
Energy: 0.8495209886063657
Energy: 0.8862501663814921
Energy: 0.8482791803467205
Energy: 0.8862501663799942
Energy: 0.813182365933334
Energy: 0.8857642267197481
Energy: 0.8509816432355529
Energy: 0.8857642267100108
Energy: 0.8477637306946936
Energy: 0.8640765848868884
Energy: 0.7987550610703713
Energy: 0.8640765848846415
Energy: 0.8389181827273305
Energy: 0.8658000967021252
Energy: 0.800876028996991
Energy: 0.8658000967088664
Energy: 0.7982885045268068
Energy: 0.7978575690100411
Energy: 0.8383279223101986
Energy: 0.7978575690100411
Energy: 0.7989626858586335
Energy: 0.7980114016654232
Energy: 0.7685675046266581
Energy: 0.7980114016684193
Energy: 0.7684374981386946
Energy: 0.7987667290239933
Energy: 0.823555060099652
Energy: 0.7987667290322324

minimum gb energy = 0.7684374981386946 eV
minimum distance =  2.39042562135269 Angstroms
sigma value = 25


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

Energy: 1.2906183689916113
Energy: 0.869288450311656
Energy: 0.870030868864412
Energy: 0.81365187335495
Energy: 0.8488895713135473
Energy: 0.8920090636853909
Energy: 0.8488515267435374
Energy: 0.8920090636862615
Energy: 0.8697329920493182
Energy: 0.8691120820481917
Energy: 0.8476629941374314
Energy: 0.8691120820481917
Energy: 0.8481628817575285
Energy: 0.84814801133685
Energy: 0.8485703585973726
Energy: 0.8481480113359792
Energy: 0.8217533383117362
Energy: 0.8483239880961231
Energy: 0.8475205294825178
Energy: 0.8483239880969936
Energy: 0.8471941346860256
Energy: 0.950651421535563
Energy: 0.8488130770461101
Energy: 0.950651421535563
Energy: 0.8473381994747405
Energy: 0.9302989126950832
Energy: 0.8464963118691007
Energy: 0.9302989126933418
Energy: 0.8954172361829016
Energy: 0.9285984977308709
Energy: 0.820937783007681
Energy: 0.9285984977300002
Energy: 0.8473793618015468
Energy: 0.9289453864659895
Energy: 0.8074246532890891
Energy: 0.9289453864642481
Energy: 0.8479422702208442
Energy: 0.93104411188443
Energy: 0.848900179763427
Energy: 0.93104411188443
Energy: 0.8087187603786116
Energy: 0.8477036858478242
Energy: 0.8463232512408295
Energy: 0.8477036858478242
Energy: 0.8079516250087889
Energy: 0.8477297542058272
Energy: 0.8482127050985867
Energy: 0.8477297542075687
Energy: 0.8689212937152142
Energy: 0.8692668412592233
Energy: 0.8088122183629787
Energy: 0.8692668412609647
Energy: 0.8485359047794744
Energy: 0.8481622331333607
Energy: 0.8849168314420603
Energy: 0.8481622331342313
Energy: 0.8473944404697387
Energy: 0.8698636214564042
Energy: 0.8711144507907767
Energy: 0.8698636214564042
Energy: 0.8470791765430546
Energy: 0.8484684509513022
Energy: 0.8474320247410644
Energy: 0.8484684509521729
Energy: 0.8499606858775892
Energy: 0.8490685832297212
Energy: 0.8475144679175028
Energy: 0.8490685832332042
Energy: 0.8482833326228291
Energy: 0.8485728637222718
Energy: 0.8470506824082187
Energy: 0.8485728637222718
Energy: 0.846419600672408
Energy: 0.9501731963677831
Energy: 0.8473175787420468
Energy: 0.9501731963660417
Energy: 0.8215040856371406
Energy: 0.9311198512288272
Energy: 0.8477957116814884
Energy: 0.9311198512288272
Energy: 0.8524481469201718
Energy: 0.9286529420307255
Energy: 0.8483938859576455
Energy: 0.9286529420307255
Energy: 0.8838070200815106
Energy: 0.9300831507897322
Energy: 0.8497644037390384
Energy: 0.9300831507879908
Energy: 0.8462191027534938
Energy: 0.8475404007230344
Energy: 0.8083084147209038
Energy: 0.8475404007230344
Energy: 0.848046397136311
Energy: 0.8478881623597451
Energy: 0.8079939499317351
Energy: 0.8478881623606158
Energy: 0.8076285719865709
Energy: 0.8469050533181186
Energy: 0.8706869745716539
Energy: 0.846905053317248

minimum gb energy = 0.8074246532890891 eV
minimum distance =  2.40235623293254 Angstroms
sigma value = 9


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

Energy: 1.295375555716086
Energy: 0.9382562529030153
Energy: 0.9388717521957652
Energy: 0.895869416780585
Energy: 0.9221477189004884
Energy: 0.9569490639416531
Energy: 0.8835679014722166
Energy: 0.9569490639437306
Energy: 0.9399385092791127
Energy: 0.9391553894691748
Energy: 0.9748097222159768
Energy: 0.9391553894691748
Energy: 0.9172919866637188
Energy: 0.9170918349519687
Energy: 0.8835374793502612
Energy: 0.91709183495093
Energy: 0.8824770505624042
Energy: 0.9222066469799006
Energy: 0.9159354723425567
Energy: 0.9222066469788619
Energy: 0.9188515668432069
Energy: 1.0124934862440957
Energy: 0.9161820613996475
Energy: 1.0124934862451342
Energy: 0.9453787899962263
Energy: 1.007871933448649
Energy: 0.8829211405214155
Energy: 1.007871933451765
Energy: 0.9603434523525157
Energy: 1.0073833749711592
Energy: 0.8826160236367312
Energy: 1.0073833749690815
Energy: 0.9677507191677708
Energy: 0.9691178749031719
Energy: 0.8893509873836742
Energy: 0.9691178748990171
Energy: 0.9484992988781651
Energy: 0.955954773581557
Energy: 0.8797835557463966
Energy: 0.9559547735794798
Energy: 0.847502098679452
Energy: 0.8480721131391408
Energy: 0.8636941713593925
Energy: 0.8480721131360246
Energy: 0.949281627292858
Energy: 0.8481820216952004
Energy: 0.8642780598015509
Energy: 0.8481820216962391
Energy: 0.9790624611561419
Energy: 0.9794780385243974
Energy: 0.9745875263311955
Energy: 0.9794780385243974
Energy: 0.9607714036783548
Energy: 0.9658789008212506
Energy: 0.9306699102552456
Energy: 0.9658789008222892
Energy: 0.8823749236982114
Energy: 0.9279204026055542
Energy: 0.864672589339484
Energy: 0.9279204026086701
Energy: 0.9232545980054128
Energy: 0.9277361117919729
Energy: 0.8647851715735321
Energy: 0.9277361117898956
Energy: 0.9363999585925501
Energy: 1.0309070857142024
Energy: 0.9107870524096733
Energy: 1.030907085713164
Energy: 0.9363045601521562
Energy: 1.0282762145749091
Energy: 0.8641520851247225
Energy: 1.028276214578025
Energy: 0.9229395882299269
Energy: 0.9239089931751866
Energy: 0.8894730973905369
Energy: 0.9239089931762252
Energy: 0.922034208857553
Energy: 0.9237546806933518
Energy: 0.8897243590249357
Energy: 0.9237546806943905
Energy: 0.8915555191177191
Energy: 0.9319675777533746
Energy: 0.9392063737239359
Energy: 0.9319675777533746

minimum gb energy = 0.847502098679452 eV
minimum distance =  2.39556971913967 Angstroms
sigma value = 25


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

Energy: 1.066688125707617
Energy: 0.9852493652890554
Energy: 0.987279412471625
Energy: 0.9043369341951625
Energy: 0.9856540272656867
Energy: 0.9631733832192299
Energy: 0.919664473441091
Energy: 0.9631733832192299
Energy: 0.9856584314200962
Energy: 0.9849756893215449
Energy: 1.0013868829511485
Energy: 0.9849756893202604
Energy: 0.9852853853217132
Energy: 0.9642690911358339
Energy: 0.9196843703218185
Energy: 0.9642690911345493
Energy: 0.9168774493898532
Energy: 1.000004726306894
Energy: 0.9198680654058021
Energy: 1.000004726304325
Energy: 0.8975368699697305
Energy: 1.00970756969087
Energy: 0.9186735875950041
Energy: 1.00970756969087
Energy: 0.8938074563856832
Energy: 1.000188166386364
Energy: 0.9201271302045865
Energy: 1.0001881663876484
Energy: 0.8935455038300155
Energy: 1.0009245452083428
Energy: 0.9232971867634605
Energy: 1.0009245452096271
Energy: 0.9844685880105339
Energy: 0.9843865567458252
Energy: 1.071854913228858
Energy: 0.9843865567432561
Energy: 1.0020743956561982
Energy: 0.8998959168224137
Energy: 0.9814169193511564
Energy: 0.8998959168224137
Energy: 1.000211228909334
Energy: 0.9846047588327932
Energy: 0.9867661246210413
Energy: 0.9846047588315086
Energy: 0.9843350738422969
Energy: 1.000539040772118
Energy: 0.9852999992240168
Energy: 1.000539040772118
Energy: 0.9194973249894758
Energy: 1.009822932170929
Energy: 0.9171044358548224
Energy: 1.009822932170929
Energy: 0.92093306840743
Energy: 0.9998444300065833
Energy: 0.8998131732258341
Energy: 0.9998444300065833
Energy: 0.9198941213207071
Energy: 1.0004368662774854
Energy: 0.8937818417368414
Energy: 1.0004368662774854
Energy: 0.9197725354495969
Energy: 1.0005149031938239
Energy: 0.8937000673204116
Energy: 1.0005149031925393
Energy: 1.0652886848869687
Energy: 0.898623655330442
Energy: 0.985351351027341
Energy: 0.8986236553317264

minimum gb energy = 0.8935455038300155 eV
minimum distance =  2.46805547495241 Angstroms
sigma value = 17


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

Energy: 1.4473933499262106
Energy: 1.067710791613942
Energy: 1.0688294396504907
Energy: 1.0163662416241603
Energy: 0.9415220386842108
Energy: 0.9428345596472509
Energy: 1.0264761780363878
Energy: 0.9428345596479785
Energy: 0.9715912976582854
Energy: 0.9656037514673114
Energy: 1.072045883805923
Energy: 0.9656037514673114
Energy: 0.965955536804251
Energy: 1.0260330523672878
Energy: 0.9640800628068597
Energy: 1.0260330523694703
Energy: 0.9671638897337103
Energy: 1.0214376851914058
Energy: 0.9235928466115577
Energy: 1.0214376851914058
Energy: 0.9665922878380854
Energy: 1.0292034271005288
Energy: 0.9663510094472632
Energy: 1.0292034271005288
Energy: 1.0038142676566244
Energy: 0.9656896444847072
Energy: 0.9654953236668549
Energy: 0.9656896444854347
Energy: 1.1218944352287599
Energy: 0.9650909297798353
Energy: 0.9447627140673313
Energy: 0.9650909297798353
Energy: 1.0746843666206716
Energy: 1.0668417418973901
Energy: 1.0727121641230526
Energy: 1.066841741898845
Energy: 1.0674934652844372
Energy: 1.0158026665868989
Energy: 1.0408222488421388
Energy: 1.0158026665876265
Energy: 0.9642007097869901
Energy: 0.9409630474546982
Energy: 0.9401183731367433
Energy: 0.9409630474546982
Energy: 1.0076195552689549
Energy: 0.9714878331219968
Energy: 0.9442794477317681
Energy: 0.9714878331219968
Energy: 1.0049379392587565
Energy: 0.9731492863032933
Energy: 0.9720329627627735
Energy: 0.9731492863047484
Energy: 1.004728144975904
Energy: 0.9729787127434513
Energy: 0.9408061964554943
Energy: 0.9729787127412687
Energy: 1.0683322956459773
Energy: 1.0058496395314258
Energy: 1.122765378087796
Energy: 1.0058496395321535
Energy: 1.0762013797493204
Energy: 1.0687096506631062
Energy: 1.123223939755926
Energy: 1.0687096506638338
Energy: 1.070792629884639
Energy: 0.964591578503517
Energy: 0.9655520414066089
Energy: 0.9645915785042444
Energy: 1.0694977821379026
Energy: 0.9655278815547089
Energy: 0.963386207359125
Energy: 0.9655278815539815
Energy: 0.9658946134080206
Energy: 1.0614106423817347
Energy: 0.9661265248406712
Energy: 1.0614106423817347
Energy: 1.0185431910239489
Energy: 1.0299521353619827
Energy: 0.9662937210980251
Energy: 1.0299521353605277
Energy: 0.9675010823815265
Energy: 0.965146669304002
Energy: 1.0796491165042068
Energy: 0.9651466693032744
Energy: 0.9662850043999528
Energy: 0.9670959932857656
Energy: 1.0041056586744486
Energy: 0.967095993283583
Energy: 1.0256461660348812
Energy: 1.0228920542819575
Energy: 1.0273444445113158
Energy: 1.0228920542834126
Energy: 1.0731893158727583
Energy: 1.0670610845293307
Energy: 1.0662774862107485
Energy: 1.0670610845322406
Energy: 0.9416959270604227
Energy: 0.973277128475064
Energy: 1.0680091422189835
Energy: 0.9732771284743366
Energy: 0.9427530358211892
Energy: 0.9724508013600544
Energy: 0.9642277667441206
Energy: 0.9724508013600544
Energy: 0.9399127390926155
Energy: 0.9458216681717998
Energy: 1.0056646288474154
Energy: 0.9458216681688898
Energy: 0.9460086523264175
Energy: 0.9703139062620195
Energy: 1.0048225662046193
Energy: 0.9703139062649295
Energy: 0.9418642182078572
Energy: 0.9733662653822106
Energy: 1.0048848241016006
Energy: 0.9733662653851207
Energy: 1.1251874365065664
Energy: 1.066917377848776
Energy: 1.0671380997083852
Energy: 1.0669173778495036

minimum gb energy = 0.9235928466115577 eV
minimum distance =  2.46626632878848 Angstroms
sigma value = 53


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

Energy: 1.3137482118930541
Energy: 1.0199104664926213
Energy: 1.022355802553615
Energy: 0.903262770388101
Energy: 1.0128612634695975
Energy: 0.9503183918117262
Energy: 1.0138749223995975
Energy: 0.9503183918117262
Energy: 1.020060865308786
Energy: 1.0165144835411588
Energy: 1.0140210380963823
Energy: 1.016514483539484
Energy: 1.0153582796304714
Energy: 0.9512205934845012
Energy: 1.011529861893474
Energy: 0.9512205934811516
Energy: 1.0185900468916738
Energy: 0.9510031129234108
Energy: 0.8913923738193369
Energy: 0.9510031129234108
Energy: 1.0114046865426125
Energy: 0.9541056357545592
Energy: 0.9074779177521993
Energy: 0.9541056357545592
Energy: 1.1253931155235073
Energy: 1.0127954823368495
Energy: 1.0136844439543273
Energy: 1.0127954823385243
Energy: 1.1245169883663344
Energy: 0.95446008431087
Energy: 1.0108038857049337
Energy: 0.9544600843091952
Energy: 1.0166352977756168
Energy: 1.0143165553938203
Energy: 1.0165869629052895
Energy: 1.0143165553921454
Energy: 1.0113714588203029
Energy: 0.9538262970342725
Energy: 1.0156751155708081
Energy: 0.9538262970309227
Energy: 1.0162108956616185
Energy: 0.9568368001048142
Energy: 0.8919372278350343
Energy: 0.9568368000997897
Energy: 1.014607590668343
Energy: 0.9508423521192342
Energy: 0.8923470374816429
Energy: 0.9508423521225838
Energy: 1.1245528538870004
Energy: 1.0156580749674802
Energy: 1.0102383253147436
Energy: 1.015658074969155

minimum gb energy = 0.8913923738193369 eV
minimum distance =  2.44138701471814 Angstroms
sigma value = 9


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

Energy: 1.2749252418422035
Energy: 1.1169673057425378
Energy: 1.1180722903265534
Energy: 1.0447148347176634
Energy: 0.9596493395970239
Energy: 0.9580495365397006
Energy: 1.1121649054225027
Energy: 0.9580495365409404
Energy: 0.9626551370321708
Energy: 0.9628537825177977
Energy: 1.0985651078021308
Energy: 0.9628537825177977
Energy: 0.9608985767994032
Energy: 0.9591076079628938
Energy: 1.1641930522494786
Energy: 0.9591076079597946
Energy: 0.9594687144407885
Energy: 0.9583340164912886
Energy: 1.1644443900766477
Energy: 0.9583340164900488
Energy: 0.9576926033694876
Energy: 0.9579718393180039
Energy: 1.1640006772155207
Energy: 0.9579718393198636
Energy: 1.1113086683477742
Energy: 1.0995187357921854
Energy: 1.1121691829119618
Energy: 1.0995187357884662
Energy: 1.111137919810384
Energy: 1.0980905099554152
Energy: 1.0988505499769141
Energy: 1.0980905099529357
Energy: 0.9933223793077693
Energy: 1.0694279576590777
Energy: 1.0079315420295627
Energy: 1.0694279576596974
Energy: 0.961646849888865
Energy: 1.036020593401048
Energy: 1.1010257035507383
Energy: 1.0360205933998083
Energy: 0.9910714633604236
Energy: 0.9920469979556443
Energy: 1.0329010467648498
Energy: 0.9920469979531648
Energy: 1.0062223671441743
Energy: 0.9937664095224211
Energy: 1.1660069507912267
Energy: 0.9937664095230411
Energy: 1.1112088342826203
Energy: 0.9920018944923097
Energy: 1.011753967192442
Energy: 0.9920018944923097
Energy: 1.1108892721867092
Energy: 0.9932173185058607
Energy: 0.993485552700975
Energy: 0.9932173185052409
Energy: 1.0982014402028746
Energy: 1.007903398249523
Energy: 1.005758624497736
Energy: 1.0079033982513828
Energy: 1.0313285893623678
Energy: 1.0761606843921567
Energy: 1.0072852909866248
Energy: 1.0761606843933964
Energy: 1.1015525988031634
Energy: 1.044718006573805
Energy: 0.9942074588874964
Energy: 1.044718006573805
Energy: 1.0990046429425335
Energy: 1.0996987511523209
Energy: 1.1673998973191924
Energy: 1.0996987511504612
Energy: 1.111973197176231
Energy: 0.9575284991498728
Energy: 1.000899059005198
Energy: 0.9575284991504927
Energy: 1.0980661608000233
Energy: 0.9611748159141814
Energy: 0.9597605007885454
Energy: 0.9611748159135617
Energy: 1.1178354193137972
Energy: 0.9592767012369576
Energy: 0.960262800955938
Energy: 0.9592767012338582
Energy: 1.1639575236998296
Energy: 0.9581879029742858
Energy: 0.9579361987267724
Energy: 0.9581879029711863
Energy: 1.1642208783570887
Energy: 0.9586333822567408
Energy: 0.9579530945888886
Energy: 0.958633382255501
Energy: 1.113413508759922
Energy: 1.09911231377534
Energy: 1.1109664038621407
Energy: 1.0991123137747205
Energy: 1.0989785225258368
Energy: 1.0990979167018715
Energy: 1.111449195482664
Energy: 1.099097916700632
Energy: 1.0065543322385315
Energy: 1.076685359238199
Energy: 0.9925533296222196
Energy: 1.0766853592363395
Energy: 1.1030911174763887
Energy: 1.036835071846201
Energy: 0.9612593864798373
Energy: 1.0368350718493005
Energy: 1.0320440481689412
Energy: 0.9915264142911934
Energy: 0.9919758583417833
Energy: 0.9915264142899535
Energy: 1.163749199756563
Energy: 1.0051388930432505
Energy: 1.0053418301405224
Energy: 1.0051388930444904
Energy: 1.0126274123751002
Energy: 0.9914794438018474
Energy: 1.1118133083498773
Energy: 0.9914794437993678
Energy: 0.9956015660413375
Energy: 0.993710526927124
Energy: 1.0979472479577315
Energy: 0.9937105269296038
Energy: 1.000863885781623
Energy: 0.9964920647218282
Energy: 1.098326530225602
Energy: 0.9964920647205884
Energy: 1.0074084303311415
Energy: 1.075458078156548
Energy: 1.0309940619853162
Energy: 1.0754580781584078
Energy: 0.992901000696788
Energy: 1.0456753674047896
Energy: 1.0370173049778546
Energy: 1.04567536740231
Energy: 1.1663130527038272
Energy: 1.0989001428993226
Energy: 1.1056105280000612
Energy: 1.0989001429011822

minimum gb energy = 0.9575284991498728 eV
minimum distance =  2.4604775427922 Angstroms
sigma value = 73


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

Energy: 1.3579826477289363
Energy: 1.086937387192259
Energy: 1.0881325800723407
Energy: 1.0080243742850112
Energy: 0.9731911318196154
Energy: 0.9680502235728606
Energy: 1.0643315273859393
Energy: 0.9680502235738216
Energy: 0.9720086827417315
Energy: 0.972109773511504
Energy: 1.0875757473526249
Energy: 0.972109773511504
Energy: 0.9709207862899947
Energy: 0.9704237035820102
Energy: 1.1498972218152579
Energy: 0.9704237035820102
Energy: 0.9724059613986346
Energy: 0.971897260540472
Energy: 1.1297173448690951
Energy: 0.9718972605394886
Energy: 1.0189952808751246
Energy: 0.9717675505031601
Energy: 1.110269339402273
Energy: 0.9717675505021767
Energy: 0.992880574530344
Energy: 1.0860744510335383
Energy: 1.1032181151131883
Energy: 1.0860744510384557
Energy: 0.9926890590415866
Energy: 1.0848663002245211
Energy: 1.0838168355382718
Energy: 1.0848663002235375
Energy: 1.0018941511610329
Energy: 1.0672163008437412
Energy: 1.0856504059416494
Energy: 1.0672163008417739
Energy: 1.0243429597462759
Energy: 1.0101267029730783
Energy: 1.0869682272700623
Energy: 1.0101267029740617
Energy: 1.0027659457148248
Energy: 0.9444344136055963
Energy: 0.9651225651710872
Energy: 0.9444344136016624
Energy: 1.005287576527149
Energy: 0.9485018774163854
Energy: 1.1378267733303329
Energy: 0.9485018774213031
Energy: 1.0871767929606801
Energy: 1.0115888384370288
Energy: 0.9981325962265221
Energy: 1.011588838438996
Energy: 1.087113030008557
Energy: 0.9997577012406272
Energy: 0.9972953501564648
Energy: 0.9997577012406272
Energy: 1.1021721756225926
Energy: 0.9986841865409262
Energy: 0.9977094319843035
Energy: 0.9986841865409262
Energy: 1.1104511679592501
Energy: 0.9991486686465622
Energy: 0.9976426779476061
Energy: 0.9991486686445952
Energy: 1.1102960783939528
Energy: 0.9985933195794461
Energy: 0.9967290565061937
Energy: 0.9985933195804295
Energy: 1.0673532830463965
Energy: 1.0730839476716652
Energy: 1.0571338565015551
Energy: 1.0730839476746155
Energy: 1.059666752675756
Energy: 1.035850081602903
Energy: 1.022176745171885
Energy: 1.0358500816038863
Energy: 1.0601944842176507
Energy: 1.0359565510684132
Energy: 1.0544059672342152
Energy: 1.0359565510743143
Energy: 1.059683458423749
Energy: 1.0416268173542012
Energy: 1.0078663275431263
Energy: 1.0416268173581353
Energy: 1.1114147892618267
Energy: 1.054070796464399
Energy: 1.0547153436778178
Energy: 1.054070796460465

minimum gb energy = 0.9444344136016624 eV
minimum distance =  2.45023918958563 Angstroms
sigma value = 7


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

Energy: 1.572943342923939
Energy: 1.0912232322754276
Energy: 1.0918075970977654
Energy: 0.9828089707226294
Energy: 0.9681482014264955
Energy: 1.0326826841813672
Energy: 1.0582023830854415
Energy: 1.03268268417789
Energy: 0.9662959196680644
Energy: 0.9684873477174958
Energy: 1.0610436941535415
Energy: 0.9684873477230593
Energy: 0.9701754467273145
Energy: 0.9709886812302863
Energy: 1.1430306271732382
Energy: 0.9709886812275045
Energy: 0.9659355132195333
Energy: 0.9653391971990906
Energy: 1.1272734001866773
Energy: 0.9653391971963088
Energy: 0.9724226996442894
Energy: 0.9649944143172401
Energy: 1.1257844479332995
Energy: 0.9649944143179354
Energy: 1.0602664536096615
Energy: 0.9666488341793882
Energy: 0.9715356790821685
Energy: 0.966648834175911
Energy: 1.055080276695725
Energy: 0.9642042616396027
Energy: 0.9630660125685755
Energy: 0.9642042616409935
Energy: 1.1440704371728043
Energy: 0.9710324653366454
Energy: 0.9700680967457669
Energy: 0.9710324653303865
Energy: 1.1194922021053701
Energy: 1.0967083781247742
Energy: 0.9640564935583341
Energy: 1.096708378118515
Energy: 1.0579154126721493
Energy: 1.0462689571323496
Energy: 0.9772111545654754
Energy: 1.0462689571309587
Energy: 1.0519112204889016
Energy: 1.0493512479085219
Energy: 1.0534312168074331
Energy: 1.04935124791339
Energy: 1.049300492229283
Energy: 1.0329700376639233
Energy: 1.0486225337047272
Energy: 1.0329700376625324
Energy: 1.055692078496012
Energy: 1.0290793692792999
Energy: 0.9815914077739627
Energy: 1.0290793692834725
Energy: 1.048703882971697
Energy: 1.0288385808313336
Energy: 0.9767798839773013
Energy: 1.0288385808313336
Energy: 0.9803883812912102
Energy: 1.0487553201882056
Energy: 1.0523810905837956
Energy: 1.0487553201763833
Energy: 0.9819829584769878
Energy: 1.0461925127442673
Energy: 1.0594981123161489
Energy: 1.0461925127435718
Energy: 0.9643974741657754
Energy: 1.0968649750167236
Energy: 1.0601369826007976
Energy: 1.0968649750215917
Energy: 0.9695431609280172
Energy: 0.9712731897732443
Energy: 1.0577074178574972
Energy: 0.9712731897795033
Energy: 0.963919330304708
Energy: 0.9643236361613691
Energy: 0.9841278415643112
Energy: 0.9643236361599782
Energy: 0.9715950896115156
Energy: 0.9664956666790719
Energy: 1.129945791091568
Energy: 0.966495666677681
Energy: 1.0546923335069378
Energy: 0.9649056067575084
Energy: 0.9722172946309074
Energy: 0.9649056067547266
Energy: 1.0610032430481702
Energy: 0.9651480185065754
Energy: 0.9644011844052195
Energy: 0.9651480184982301
Energy: 1.1425329288790957
Energy: 0.9710775445890358
Energy: 0.9701536801102515
Energy: 0.9710775445897313
Energy: 1.118974835770415
Energy: 0.9680888196325632
Energy: 0.9665899310612225
Energy: 0.9680888196374313
Energy: 1.119924876013634
Energy: 1.0510136908842753
Energy: 0.9681392593174225
Energy: 1.0510136908710617
Energy: 1.0915760311457627
Energy: 1.0578414621145174
Energy: 1.3652577464087483
Energy: 1.0578414621179943
Energy: 1.0451335754411295
Energy: 1.0505084524106756
Energy: 1.0518897324492837
Energy: 1.0505084524211072
Energy: 1.0625715011181918
Energy: 1.0283819566711185
Energy: 1.0492482679216513
Energy: 1.0283819566787684
Energy: 1.0455635411898847
Energy: 1.0473279971240246
Energy: 0.9810638650094817
Energy: 1.047327997112202
Energy: 0.9834364981148095
Energy: 1.0462817947324794
Energy: 1.0473210869842238
Energy: 1.0462817947359568

minimum gb energy = 0.9630660125685755 eV
minimum distance =  2.43237415853661 Angstroms
sigma value = 29


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

Energy: 0.9084575421930491
Energy: 1.070354124633313
Energy: 1.011843748348143
Energy: 0.909494867524246
Energy: 0.9225018918014785
Energy: 0.9848781633696365
Energy: 0.9225042740597816
Energy: 0.9848781633698517
Energy: 0.9206134347906401
Energy: 0.9750203124305875
Energy: 0.9093206321083773
Energy: 0.9750203124301301
Energy: 0.9131222664723017
Energy: 0.9204991039583823
Energy: 0.9216856594715924
Energy: 0.9204991039593244
Energy: 0.9190647445686018
Energy: 0.9212144406467988
Energy: 0.9107206632277758
Energy: 0.9212144406467988
Energy: 0.9208616312300141
Energy: 0.9809011797771223
Energy: 0.9117710083828148
Energy: 0.9809011797763956
Energy: 0.9097223729018846
Energy: 0.9746790132795154
Energy: 0.920789740738205
Energy: 0.9746790132795154
Energy: 0.9224223809900913
Energy: 0.9239922497078668
Energy: 0.919040091660016
Energy: 0.9239922497085934
Energy: 0.9219273595907439
Energy: 0.9224929409044498
Energy: 0.9215416581203224
Energy: 0.9224929409053919

minimum gb energy = 0.9084575421930491 eV
minimum distance =  2.42967719969573 Angstroms
sigma value = 5


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

Energy: 1.3378405825953406
Energy: 0.8967037154616618
Energy: 1.0291480206161472
Energy: 0.879023539447141
Energy: 1.0287471648732627
Energy: 0.8964205914163856
Energy: 1.033423751955423
Energy: 0.8964205914117871
Energy: 1.0360504864114006
Energy: 0.9642018582345621
Energy: 1.0383251081863845
Energy: 0.9642018582325913
Energy: 0.9881329458280446
Energy: 0.9639773613984206
Energy: 1.02745527974992
Energy: 0.963977361404333
Energy: 0.977488288482858
Energy: 0.8947299042274417
Energy: 0.9837121898560263
Energy: 0.8947299042313832
Energy: 0.8955430122730575
Energy: 0.8949624901507617
Energy: 0.9837052991171437
Energy: 0.8949624901560171
Energy: 0.89359070898115
Energy: 0.893684082734295
Energy: 1.0282460753676876
Energy: 0.8936840827369228
Energy: 0.9053657188338998
Energy: 0.8978376431307596
Energy: 1.0782849508309587
Energy: 0.8978376431353581
Energy: 1.0181535262298413
Energy: 0.9208719675796133
Energy: 1.0835189249817487
Energy: 0.9208719675769856
Energy: 1.1545859779481182
Energy: 0.8804304027257515
Energy: 0.8850543384050755
Energy: 0.880430402729036
Energy: 1.016549010004758
Energy: 0.8776537496187203
Energy: 0.878888403311676
Energy: 0.8776537496141217
Energy: 1.0907603242250736
Energy: 0.8776128748058103
Energy: 0.8777344785073938
Energy: 0.8776128748117227
Energy: 1.1064733935431665
Energy: 0.8776619685952922
Energy: 0.890761090530449
Energy: 0.8776619686025185
Energy: 0.9341335593222398
Energy: 0.8685473373788166
Energy: 1.1014842814222103
Energy: 0.8685473373729045
Energy: 0.9492820795425511
Energy: 0.8666260937034027
Energy: 1.100793692340361
Energy: 0.8666260937073442
Energy: 0.9464038240604759
Energy: 0.8666977555036262
Energy: 0.9132786970477492
Energy: 0.8666977555075677
Energy: 0.9485169557929357
Energy: 0.8681067607412831
Energy: 0.912038306597476
Energy: 0.868106760743254
Energy: 1.0706507395234872
Energy: 0.8699787342098549
Energy: 0.913663159734392
Energy: 0.8699787342098549
Energy: 1.0655861475578956
Energy: 0.9392970664424528
Energy: 0.9335422312319782
Energy: 0.9392970664450805
Energy: 1.0665922626851498
Energy: 1.0129089250919612
Energy: 0.9908593027760274
Energy: 1.0129089250906471
Energy: 0.9833730245758445
Energy: 0.9027227707313512
Energy: 0.9150241797495401
Energy: 0.9027227707372635
Energy: 0.9840498858882762
Energy: 0.9003996815921418
Energy: 0.9003816400674032
Energy: 0.9003996815947695
Energy: 1.1242451148316643
Energy: 0.8997571388427363
Energy: 0.9004697983041846
Energy: 0.8997571388479918
Energy: 1.0788503359900063
Energy: 0.9023971831008921
Energy: 0.9077258895831012
Energy: 0.9023971830884105
Energy: 1.0802525971946855
Energy: 0.9879975281324824
Energy: 0.9190705943700316
Energy: 0.9879975281232855
Energy: 0.8741236444023408
Energy: 0.8746304430026788
Energy: 1.1553001414763364
Energy: 0.874630442998737
Energy: 0.8748799294077728
Energy: 0.8733560040239293
Energy: 0.920067169001047
Energy: 0.873356004026557
Energy: 0.8726452121389451
Energy: 0.8724834127789629
Energy: 0.9173840353538767
Energy: 0.8724834127783059
Energy: 0.8726076568144981
Energy: 0.8732506299133845
Energy: 1.108237667705746
Energy: 0.8732506299146984
Energy: 1.1028135765010347
Energy: 0.9166443084035794
Energy: 0.9183394093615498
Energy: 0.9166443084068641
Energy: 1.102897039187427
Energy: 0.8940097971909483
Energy: 0.8966865860860405
Energy: 0.894009797194233
Energy: 1.0274171989391467
Energy: 0.8937397329227239
Energy: 0.8959946498645108
Energy: 0.8937397329168116
Energy: 0.902769855254982
Energy: 0.8938432752343709
Energy: 0.8945662628216968
Energy: 0.8938432752376256

minimum gb energy = 0.8666260937034027 eV
minimum distance =  2.41449629071815 Angstroms
sigma value = 1


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

Energy: 1.3206449023955251
Energy: 0.8452338026950008
Energy: 0.990822587434364
Energy: 0.8173275993539214
Energy: 0.8469585494441244
Energy: 0.8476824079036096
Energy: 1.0375571976055245
Energy: 0.8476824079054264
Energy: 1.0373303397178568
Energy: 0.9344179869757145
Energy: 1.0405444480898067
Energy: 0.9344179869729896
Energy: 0.8679864940919726
Energy: 0.9347741862121077
Energy: 1.029640311597963
Energy: 0.934774186213016
Energy: 0.8455389879053747
Energy: 0.8434801713680841
Energy: 1.0346906806319394
Energy: 0.8434801713744422
Energy: 0.8436027526617915
Energy: 0.8437629998758598
Energy: 1.0347247911388882
Energy: 0.8437629998740431
Energy: 0.841977589381556
Energy: 0.8429029806616863
Energy: 1.0302241545233075
Energy: 0.8429029806625946
Energy: 0.8537305939835986
Energy: 0.8484186668733968
Energy: 1.1856093312512292
Energy: 0.8484186668706718
Energy: 1.0326013673530778
Energy: 0.8810962805435021
Energy: 1.1854767509028863
Energy: 0.8810962805389605
Energy: 1.0363951511807947
Energy: 0.8492314400166057
Energy: 0.8466589368119211
Energy: 0.8492314400202389
Energy: 1.0313357717904352
Energy: 0.8434026284031042
Energy: 0.8425814475848139
Energy: 0.8434026284049209
Energy: 1.182856437762071
Energy: 0.8453082500728656
Energy: 0.8441694365795277
Energy: 0.8453082500692324
Energy: 1.1831048908066841
Energy: 0.844248993054875
Energy: 0.8444395257033519
Energy: 0.8442489930585082
Energy: 1.029291581925321
Energy: 0.9342539013092017
Energy: 1.0387105006666877
Energy: 0.9342539013046601
Energy: 0.8717585040004763
Energy: 0.9334309103386468
Energy: 1.037277833715619
Energy: 0.9334309103377384
Energy: 0.8733306822970948
Energy: 0.8455119937943649
Energy: 1.0303062240010163
Energy: 0.8455119937961816
Energy: 0.8439780512349948
Energy: 0.8441449741583867
Energy: 1.037705395964803
Energy: 0.8441449741556618
Energy: 0.8540190603482225
Energy: 0.8481308851734121
Energy: 1.0298490620531702
Energy: 0.848130885176137
Energy: 0.8423162731659138
Energy: 0.8432520677919788
Energy: 1.1852316806907353
Energy: 0.8432520677947037
Energy: 0.8446405728894733
Energy: 0.8493627170760506
Energy: 1.1858862043961982
Energy: 0.8493627170706007
Energy: 1.0348698172850266
Energy: 0.8799511160184667
Energy: 1.0293737001251027
Energy: 0.8799511160166501
Energy: 1.0363750543018193
Energy: 0.8454177426289394
Energy: 0.8480808344440948
Energy: 0.8454177426298477
Energy: 1.0300828982479795
Energy: 0.8433132857361415
Energy: 0.8436811350046886
Energy: 0.8433132857361415
Energy: 1.18334567838244
Energy: 0.8443198490152466
Energy: 0.8440070637990394
Energy: 0.8443198490134298

minimum gb energy = 0.8173275993539214 eV
minimum distance =  2.42625501897441 Angstroms
sigma value = 17


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

Energy: 1.4113587449191898
Energy: 0.83634050239002
Energy: 0.9932435961207645
Energy: 0.8159310822566469
Energy: 0.8336975850354434
Energy: 0.8358895257478317
Energy: 0.957395764365225
Energy: 0.8358895257472704
Energy: 1.0553711525181622
Energy: 0.8314210795220697
Energy: 0.9582037001148058
Energy: 0.8314210795215082
Energy: 1.066238507244046
Energy: 0.8753353847580866
Energy: 0.9507752037110204
Energy: 0.8753353847564023
Energy: 0.9352004189937315
Energy: 0.8159807449300016
Energy: 1.0753254446462437
Energy: 0.8159807449294403
Energy: 0.8165976008881386
Energy: 0.8154888062014626
Energy: 1.0905960266261847
Energy: 0.8154888062014626
Energy: 0.8164751394782296
Energy: 0.8157366546625061
Energy: 0.9508993070104114
Energy: 0.8157366546625061
Energy: 0.821289381855489
Energy: 0.8171490360151947
Energy: 1.0975818356437264
Energy: 0.8171490360123878
Energy: 1.0824036350249648
Energy: 0.8151676768449913
Energy: 1.054588774257771
Energy: 0.8151676768433069
Energy: 0.9828053662388442
Energy: 0.8784273065988697
Energy: 0.9521099369903803
Energy: 0.8784273065999926
Energy: 1.079133811101683
Energy: 0.8320913967695827
Energy: 0.8464478359294756
Energy: 0.8320913967695827
Energy: 1.0873931606684335
Energy: 0.8323223278082112
Energy: 0.951388730689867
Energy: 0.8323223278093341
Energy: 1.0751483210528159
Energy: 0.8321658513255222
Energy: 0.8326066811899951
Energy: 0.8321658513210309
Energy: 0.9748359960838758
Energy: 0.8323957599313557
Energy: 0.8335241874709687
Energy: 0.8323957599324784
Energy: 1.0620127276559834
Energy: 0.8353159979419801
Energy: 0.8389780774162396
Energy: 0.8353159979414186
Energy: 1.0965045840563923
Energy: 0.8334117930490745
Energy: 0.8359491368722227
Energy: 0.833411793049636
Energy: 0.8328063278549257
Energy: 0.8363435467077601
Energy: 1.0761426719327607
Energy: 0.8363435467100058
Energy: 0.8321244949375077
Energy: 0.8321068392831347
Energy: 1.0834640737708794
Energy: 0.8321068392825732
Energy: 0.8343033240349574
Energy: 0.8360966290526393
Energy: 1.0521633936323613
Energy: 0.8360966290503936
Energy: 0.83376724056509
Energy: 0.8320682106476175
Energy: 0.9476983567732814
Energy: 0.8320682106476175
Energy: 0.956820943987831
Energy: 0.8340261333683923
Energy: 0.9366895642102765
Energy: 0.8340261333689536
Energy: 0.9574577030796377
Energy: 0.8324021804724476
Energy: 1.0580688806667327
Energy: 0.8324021804775003
Energy: 0.951628388897487
Energy: 0.873867347643964
Energy: 1.063550287232111
Energy: 0.87386734763835
Energy: 1.0757527073574757
Energy: 0.8171102064309086
Energy: 0.9349905711341465
Energy: 0.8171102064258559
Energy: 1.0878893346430663
Energy: 0.8154786942010924
Energy: 0.8155878783616529
Energy: 0.815478694200531
Energy: 0.9519139653151598
Energy: 0.8165933463020395
Energy: 0.8192688723949512
Energy: 0.816593346304285
Energy: 0.9473700476449927
Energy: 0.8149288560240948
Energy: 0.8158720764389157
Energy: 0.8149288560246563
Energy: 0.9529055511014056
Energy: 0.8173161465161501
Energy: 1.0851652213746084
Energy: 0.8173161465189573
Energy: 0.962756465390294
Energy: 0.8771080957204991
Energy: 0.9585501003059123
Energy: 0.8771080957182534
Energy: 0.8472323735585532
Energy: 0.8315921779276917
Energy: 1.0776574373767016
Energy: 0.8315921779237618
Energy: 0.9504780393824575
Energy: 0.831775609307192
Energy: 1.0903744285345873
Energy: 0.8317756093094376
Energy: 0.8321531165292838
Energy: 0.8317570663491618
Energy: 1.0752517931531484
Energy: 0.8317570663530917
Energy: 0.8318623336547801
Energy: 0.8318924301486819
Energy: 0.9758238837203188
Energy: 0.8318924301498046
Energy: 0.8418016259794798
Energy: 0.8362240240107891
Energy: 1.066029600343122
Energy: 0.8362240240102278
Energy: 0.9795868334511106
Energy: 0.8554862362748619
Energy: 1.109624124888182
Energy: 0.8554862362782304
Energy: 1.0116746581075386
Energy: 0.8369741064763312
Energy: 0.8333406684224836
Energy: 0.8369741064785768
Energy: 1.0807683335542113
Energy: 0.8323185444162451
Energy: 0.8325731423926166
Energy: 0.8323185444139994
Energy: 1.0550868209230584
Energy: 0.8419439521565186
Energy: 0.8335604413930037
Energy: 0.8419439521559572

minimum gb energy = 0.8149288560240948 eV
minimum distance =  2.43649703291443 Angstroms
sigma value = 89


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

Energy: 1.4971933941333495
Energy: 0.7563395906266256
Energy: 0.7586919878356709
Energy: 0.7518292460625938
Energy: 0.759741154716511
Energy: 0.8259884454679792
Energy: 0.7575932307185644
Energy: 0.8259884454665103
Energy: 0.75739504802712
Energy: 0.8275521826872354
Energy: 0.7712544017558115
Energy: 0.8275521826857665
Energy: 0.7520135678191323
Energy: 0.8299883890916732
Energy: 0.7562356442263676
Energy: 0.8299883890902041
Energy: 0.7553589813395049
Energy: 0.7555126923892466
Energy: 0.7663453045391213
Energy: 0.7555126923892466
Energy: 0.7564564510244633
Energy: 0.7543806754850534
Energy: 0.7659485991435222
Energy: 0.7543806754850534
Energy: 0.755582722860986
Energy: 0.7536217138139765
Energy: 0.7573451707122055
Energy: 0.7536217138139765
Energy: 0.7549339970194356
Energy: 0.7602646739863627
Energy: 0.7509303039673088
Energy: 0.7602646739848938
Energy: 0.7599855785452727
Energy: 0.7543535784773867
Energy: 0.7503287468968279
Energy: 0.7543535784759177
Energy: 0.7584175551135607
Energy: 0.8214062437933588
Energy: 0.7597212388174517
Energy: 0.8214062437948276
Energy: 0.7576042357397467
Energy: 0.8201312158757446
Energy: 0.7496976175202319
Energy: 0.8201312158757446
Energy: 0.7650546850956278
Energy: 0.7541609888124406
Energy: 0.7576936765035848
Energy: 0.7541609888124406
Energy: 0.7667156581919571
Energy: 0.7570320131939059
Energy: 0.7549609833198653
Energy: 0.7570320131953749
Energy: 0.7566858427939327
Energy: 0.7532792196669844
Energy: 0.753745847108813
Energy: 0.7532792196669844
Energy: 0.7502355546582935
Energy: 0.7558135133102091
Energy: 0.7594136199266246
Energy: 0.7558135133102091

minimum gb energy = 0.7496976175202319 eV
minimum distance =  2.4473822060463 Angstroms
sigma value = 13


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

Energy: 1.3138645070018151
Energy: 0.7164417405426484
Energy: 0.9092188639755409
Energy: 0.7069848157237543
Energy: 0.8413060800413039
Energy: 0.7133494339276604
Energy: 0.8429510666327086
Energy: 0.7133494339141154
Energy: 0.7164034693981916
Energy: 0.7109499696691164
Energy: 0.8454874259739782
Energy: 0.7109499696580341
Energy: 0.9972444511010483
Energy: 0.7103250811338009
Energy: 0.8448334044191527
Energy: 0.7103250811461146
Energy: 0.8478020851767271
Energy: 0.7128092674756394
Energy: 0.8431992498157318
Energy: 0.712809267468867
Energy: 0.845244239911056
Energy: 0.7123859664390807
Energy: 0.8419324200682938
Energy: 0.7123859664335396
Energy: 0.8451387467250565
Energy: 0.7110978358924209
Energy: 0.8424848715150075
Energy: 0.7110978358961151
Energy: 0.8444743557867588
Energy: 0.7107452036193835
Energy: 0.8445389842353338
Energy: 0.7107452036230776
Energy: 0.7099285739414863
Energy: 0.7101565360717177
Energy: 0.8492244551306947
Energy: 0.7101565360699266
Energy: 0.7102886317881325
Energy: 0.7107805409339072
Energy: 0.8469921892079851
Energy: 0.7107805409283662
Energy: 0.7131863079608625
Energy: 0.7105373707695588
Energy: 1.314402487984466
Energy: 0.7105373707800254
Energy: 0.8418239836254285
Energy: 0.7513719294825267
Energy: 0.8477598747757278
Energy: 0.7513719294936091
Energy: 0.8442337343578563
Energy: 0.7489149906177269
Energy: 0.8410748952214718
Energy: 0.7489149906189582
Energy: 0.8451545253541848
Energy: 0.7475101203776309
Energy: 0.974237226832821
Energy: 0.7475101203813248
Energy: 0.8462279847779922
Energy: 0.7121825295244465
Energy: 0.845767617515345
Energy: 0.7121825295330659
Energy: 0.8536787233477541
Energy: 0.7128135586122691
Energy: 0.7139079263626009
Energy: 0.7128135586128848
Energy: 0.8429512109635567
Energy: 0.711287796350198
Energy: 0.711084577115576
Energy: 0.711287796350198
Energy: 0.7201958690823176
Energy: 0.7106945248493424
Energy: 0.7133766386562933
Energy: 0.7106945248487265
Energy: 0.9643487862509361
Energy: 0.7096155620232785
Energy: 0.8410242478343894
Energy: 0.7096155620183531
Energy: 0.846450130034765
Energy: 0.7100550298750908
Energy: 0.8569979014028969
Energy: 0.710055029872628
Energy: 1.000684742373576
Energy: 0.7112543724156495
Energy: 0.8420175805201335
Energy: 0.7112543724168808
Energy: 0.8463301950068703
Energy: 0.7105843439414586
Energy: 0.8412438097484671
Energy: 0.7105843439365332
Energy: 0.8415177328464641
Energy: 0.7131609719024481
Energy: 0.8439723117605219
Energy: 0.7131609719012166
Energy: 0.7163453689494816
Energy: 0.709848780003856
Energy: 0.84577289854903
Energy: 0.7098487800081658
Energy: 0.8422466801836056
Energy: 0.7104827796104946
Energy: 0.8558945340322317
Energy: 0.710482779609263
Energy: 0.711614241906109
Energy: 0.7099385471914496
Energy: 0.853058774680648
Energy: 0.7099385471994535
Energy: 0.7102496792764403
Energy: 0.7101982108245897
Energy: 0.8445748998432917
Energy: 0.7101982108276682
Energy: 0.7108919737094455
Energy: 0.7097282715906624
Energy: 0.7203330844039754
Energy: 0.7097282715900468
Energy: 0.8409561325905284
Energy: 0.7106872106469639
Energy: 0.9647456729605202
Energy: 0.7106872106610685
Energy: 0.8578031307881502
Energy: 0.7477249114107152
Energy: 0.8411413823462859
Energy: 0.7477249114156407
Energy: 0.8455704467066018
Energy: 0.7492873574757921
Energy: 1.0012949579769568
Energy: 0.7492873574647657
Energy: 0.8526326216067786
Energy: 0.7121142876330159
Energy: 0.8408037558471473
Energy: 0.7121142876336316
Energy: 0.8456431139120124
Energy: 0.7128773405471526
Energy: 0.7106963445155633
Energy: 0.7128773405416113
Energy: 0.9930020173471784
Energy: 0.7105124625071335
Energy: 0.7107011789376223
Energy: 0.7105124625052864
Energy: 0.9638246486529253
Energy: 0.710322400719793
Energy: 0.7107763858797278
Energy: 0.7103224007185617

minimum gb energy = 0.7069848157237543 eV
minimum distance =  2.45390134665348 Angstroms
sigma value = 37


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

Energy: 1.1402050732611138
Energy: 0.6462282278129271
Energy: 0.6469405558350588
Energy: 0.6451281352048784
Energy: 1.0920718211179756
Energy: 0.6446882696112266
Energy: 0.8659161585692743
Energy: 0.6446882696133451
Energy: 1.084370549756255
Energy: 0.6430036862702234
Energy: 0.8691440621160802
Energy: 0.6430036862702234
Energy: 1.0834297539511866
Energy: 0.715922183219661
Energy: 0.8688817036214816
Energy: 0.7159221832207202
Energy: 0.8657306982910387
Energy: 0.722298980247625
Energy: 0.867565214757327
Energy: 0.7222989802486842
Energy: 0.6418499490939134
Energy: 0.6447128176104481
Energy: 1.0895069027493967
Energy: 0.6447128176125666
Energy: 0.6449144986330583
Energy: 0.6427228020477573
Energy: 1.090517163501928
Energy: 0.6427228020477573
Energy: 0.6511356071344963
Energy: 0.6442528744881565
Energy: 1.086600507974092
Energy: 0.6442528744881565
Energy: 0.6441587436403455
Energy: 0.6435782107430653
Energy: 1.0868869095219507
Energy: 0.6435782107441246
Energy: 0.6432870987789316
Energy: 0.644679954590082
Energy: 1.0830358713579746
Energy: 0.6446799545890227
Energy: 0.6469405558361181
Energy: 0.6451281352059377
Energy: 1.1402050732611138
Energy: 0.6462282284439606
Energy: 0.8659161585692743
Energy: 0.6446882696122859
Energy: 1.0920718211179756
Energy: 0.6446882696133451
Energy: 0.8691440621160802
Energy: 0.6430036862702234
Energy: 1.084370549756255
Energy: 0.6430036862702234
Energy: 0.8688817036193631
Energy: 0.7159221832186017
Energy: 1.0834297539501272
Energy: 0.715922183219661
Energy: 0.8675652147583862
Energy: 0.722298980247625
Energy: 0.8657306982899794
Energy: 0.7222989802465657
Energy: 1.0895069027504318
Energy: 0.6447128176115073
Energy: 0.6418499490949726
Energy: 0.6447128176093888
Energy: 1.0905171635040465
Energy: 0.6427228020456388
Energy: 0.6449144986351768
Energy: 0.6427228020477573
Energy: 1.086600507974092
Energy: 0.6442528744870972
Energy: 0.651135607133437
Energy: 0.6442528744870972
Energy: 1.0868869095219507
Energy: 0.6435782107430653
Energy: 0.6441587436392863
Energy: 0.6435782107430653
Energy: 1.0830358713547967
Energy: 0.6446799545890227
Energy: 0.6432870987789316
Energy: 0.6446799545890227

minimum gb energy = 0.6418499490939134 eV
minimum distance =  2.4576062117275 Angstroms
sigma value = 25


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

Energy: 1.4933058170702833
Energy: 0.5781468021836552
Energy: 0.8002056386226714
Energy: 0.57668897026735
Energy: 1.0923893241009348
Energy: 0.5784784725064156
Energy: 0.7625631730959311
Energy: 0.5784784724997983
Energy: 1.1619335634034085
Energy: 0.5772076126979409
Energy: 0.7613377977262457
Energy: 0.5772076126995951
Energy: 1.016294678857698
Energy: 0.5790725064143033
Energy: 0.9042910980005354
Energy: 0.5790725064126491
Energy: 1.0919294879557282
Energy: 0.6376284878776473
Energy: 1.0937795331586493
Energy: 0.63762848787682
Energy: 1.0104095866489395
Energy: 0.6360249444583095
Energy: 1.090513688453934
Energy: 0.6360249444640995
Energy: 1.0128590814617435
Energy: 0.5719229917295533
Energy: 0.9365105651243434
Energy: 0.5719229917320346
Energy: 0.7447052964306791
Energy: 0.5691808938004341
Energy: 1.1567641737040397
Energy: 0.5691808938020885
Energy: 0.7480747545605361
Energy: 0.569605327248308
Energy: 0.932460085429587
Energy: 0.569605327248308
Energy: 0.7458682385339707
Energy: 0.5698757768964116
Energy: 1.228796774746169
Energy: 0.5698757768939302
Energy: 0.6641530455275514
Energy: 0.572995084737564
Energy: 1.2677169228671952
Energy: 0.5729950847359098
Energy: 0.6666391509779227
Energy: 0.5700683229092429
Energy: 1.2287865354352268
Energy: 0.5700683229125516
Energy: 0.6654932593374778
Energy: 0.5708023868484818
Energy: 0.9323702582960669
Energy: 0.5708023868526176
Energy: 0.6717543337601094
Energy: 0.5695980835951427
Energy: 1.2265596318560341
Energy: 0.5695980835984513
Energy: 0.8440301857469673
Energy: 0.5683070404567979
Energy: 0.939006599420521
Energy: 0.5683070404559708
Energy: 0.8430310104096186
Energy: 0.5689176035581757
Energy: 1.1634680661900951
Energy: 0.56891760355983
Energy: 0.933256201281123
Energy: 0.5702830145855083
Energy: 1.1671618058987117
Energy: 0.5702830145838541
Energy: 0.8506245756423929
Energy: 0.6325063007191565
Energy: 0.9313265919610746
Energy: 0.6325063007191565
Energy: 1.0754674246239855
Energy: 0.6271103783449822
Energy: 1.0131473969270313
Energy: 0.6271103783458093
Energy: 1.092345811460685
Energy: 0.6274762198028946
Energy: 1.0106500569064634
Energy: 0.6274762198045488
Energy: 1.2678405027508208
Energy: 0.6271225332442163
Energy: 0.7642061957394154
Energy: 0.6271225332491792
Energy: 1.0925804112712603
Energy: 0.5763520832136406
Energy: 0.6646369770483853
Energy: 0.5763520832086777
Energy: 1.0128931370399687
Energy: 0.5769334632437775
Energy: 0.757250997404486
Energy: 0.5769334632388146
Energy: 1.1573533924165005
Energy: 0.5803875618258406
Energy: 0.584676928029777
Energy: 0.5803875618250135
Energy: 1.2425069590659976
Energy: 0.5768088199425399
Energy: 0.5780598207737515
Energy: 0.5768088199441941
Energy: 1.1623834774215036
Energy: 0.5788820464131242
Energy: 0.5831691839196551
Energy: 0.57888204641726

minimum gb energy = 0.5683070404559708 eV
minimum distance =  2.45181450999667 Angstroms
sigma value = 41


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

Energy: 1.345023613098486
Energy: 0.5163357713778575
Energy: 0.7494436370938381
Energy: 0.5176910612169269
Energy: 1.203751644630249
Energy: 0.5166621764185461
Energy: 0.6653156451068694
Energy: 0.5166621764171897
Energy: 1.330424885225631
Energy: 0.5151982587042842
Energy: 0.6694441336415284
Energy: 0.515198258703606
Energy: 1.0845443500725322
Energy: 0.5182099471213892
Energy: 0.8284380062420171
Energy: 0.5182099471186766
Energy: 1.0823991140029128
Energy: 0.5138477549173526
Energy: 0.9497897795368269
Energy: 0.5138477549173526
Energy: 1.0784458287185101
Energy: 0.7047376604799998
Energy: 0.9487788102674579
Energy: 0.7047376604813561
Energy: 1.0818281000470105
Energy: 0.5656983744435349
Energy: 1.0828019259237485
Energy: 0.5656983744415005
Energy: 0.957380582013675
Energy: 0.5693685005688824
Energy: 0.9524185125912752
Energy: 0.5693685005695605
Energy: 0.815794717608711
Energy: 0.5150191619830274
Energy: 1.2046792496014151
Energy: 0.5150191619782806
Energy: 0.8158643800784888
Energy: 0.5140944943896334
Energy: 1.084017925395208
Energy: 0.5140944943937021
Energy: 0.6761352937875069
Energy: 0.5168682342132568
Energy: 1.20055730277596
Energy: 0.5168682342105443
Energy: 0.6663344030923691
Energy: 0.514461650852634
Energy: 1.203864946098361
Energy: 0.5144616508560246
Energy: 0.6665960212602517
Energy: 0.5158552412510108
Energy: 1.2033257004255646
Energy: 0.5158552412503328
Energy: 0.5177445052856263
Energy: 0.5155789197074648
Energy: 1.2109719715302332
Energy: 0.5155789197135681
Energy: 0.51524873793973
Energy: 0.5146011541732174
Energy: 1.2047336360634207
Energy: 0.5146011541745735
Energy: 0.5167918361956547
Energy: 0.5168183319250177
Energy: 1.3315769935490884
Energy: 0.5168183319229833
Energy: 0.6743981379406814
Energy: 0.516310459989385
Energy: 1.335000443086641
Energy: 0.5163104599920975
Energy: 0.6665100107566193
Energy: 0.5136264156393759
Energy: 1.0824158771838537
Energy: 0.5136264156420884
Energy: 0.6681330318301907
Energy: 0.5160055508744861
Energy: 1.0802131269006567
Energy: 0.5160055508731297
Energy: 0.9500153228477874
Energy: 0.514617956977091
Energy: 1.078489231425412
Energy: 0.5146179569757348
Energy: 0.9542210406113858
Energy: 0.5145889502052186
Energy: 1.0819035466135847
Energy: 0.5145889502052186
Energy: 0.9510874953357472
Energy: 0.5647070985662643
Energy: 1.0838749501656235
Energy: 0.5647070985662643
Energy: 1.2049341909061744
Energy: 0.5625946361589227
Energy: 1.0765786917685527
Energy: 0.5625946361589227
Energy: 0.9519046606482133
Energy: 0.5647284496836619
Energy: 0.949955463284569
Energy: 0.5647284496870525
Energy: 1.2036905889136875
Energy: 0.514301319344635
Energy: 0.8173366760723968
Energy: 0.5143013193459912
Energy: 1.2054279166081718
Energy: 0.5161476103996872
Energy: 0.9479777895136318
Energy: 0.5161476104023996
Energy: 1.2079020285490738
Energy: 0.51615411759998
Energy: 0.6684894935561488
Energy: 0.516154117599302
Energy: 1.0830319981360284
Energy: 0.5149457853487025
Energy: 0.6656008691614584
Energy: 0.5149457853487025
Energy: 1.208085348269097
Energy: 0.5158369175915383
Energy: 0.6728062234521833
Energy: 0.5158369175915383
Energy: 1.2052908729173377
Energy: 0.5146598078122914
Energy: 0.5166390970780179
Energy: 0.5146598078136476
Energy: 1.0825959929659872
Energy: 0.5143747420554278
Energy: 0.5148059350301456
Energy: 0.5143747420547498
Energy: 1.3384946586822626
Energy: 0.5151725841015773
Energy: 0.5174157039601525
Energy: 0.5151725841022554

minimum gb energy = 0.5136264156393759 eV
minimum distance =  2.46911742839522 Angstroms
sigma value = 15


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

Energy: 1.313066778065799
Energy: 0.4776910474127567
Energy: 0.7149581277344275
Energy: 0.47571875355205173
Energy: 1.289526011547493
Energy: 0.4744520184822219
Energy: 0.6012812001960434
Energy: 0.4744520184822219
Energy: 1.4002603999221679
Energy: 0.47374107209349114
Energy: 0.6052941789917947
Energy: 0.47374107209464006
Energy: 1.189841839420515
Energy: 0.47750810116460735
Energy: 0.8545849307320069
Energy: 0.4775081011640329
Energy: 1.1865246303815986
Energy: 0.47173068154808484
Energy: 0.8467116083570015
Energy: 0.47173068154463804
Energy: 1.1838542891203467
Energy: 0.4725327974706604
Energy: 0.8457909335545426
Energy: 0.4725327974649158
Energy: 0.9614170606498265
Energy: 0.4789172921924128
Energy: 1.072167438624977
Energy: 0.47891729221711493
Energy: 1.0754728856809157
Energy: 0.5187548723275778
Energy: 0.8470705233020979
Energy: 0.5187548723413651
Energy: 0.960087865351789
Energy: 0.5140470376979934
Energy: 1.070072299209119
Energy: 0.5140470376985679
Energy: 0.9585702462754245
Energy: 0.5144245332996485
Energy: 1.1891383780458522
Energy: 0.5144245333013718
Energy: 0.8532024401794485
Energy: 0.4742206207186267
Energy: 1.079895260272018
Energy: 0.4742206208328935
Energy: 0.7272490185730524
Energy: 0.47178479276672025
Energy: 1.2888574445382472
Energy: 0.4717847927730395
Energy: 0.846220620829497
Energy: 0.4725260571615048
Energy: 1.2908445162753144
Energy: 0.47252605715978147
Energy: 0.6094550588613151
Energy: 0.4746954793562297
Energy: 1.0775396746072832
Energy: 0.47469547935795314
Energy: 0.5995429964053423
Energy: 0.47222815632640514
Energy: 1.186156255611125
Energy: 0.4722281563229583
Energy: 0.6059897104297174
Energy: 0.47607434325261644
Energy: 1.292517652903754
Energy: 0.47607434325031855
Energy: 0.48043692793464393
Energy: 0.4759305083395736
Energy: 1.2965316522548629
Energy: 0.4759305083407226
Energy: 0.47337893558899086
Energy: 0.47300601548552007
Energy: 1.185492267234098
Energy: 0.4730060154860945
Energy: 0.4786128160222894
Energy: 0.47558947698494247
Energy: 1.1860971805315683
Energy: 0.4755894769837935
Energy: 0.6081495989609218
Energy: 0.4737601231962107
Energy: 1.4025706497349726
Energy: 0.47376012319448724
Energy: 0.5992695027883242
Energy: 0.47239798123984983
Energy: 1.1857838657257023
Energy: 0.47239798124099874
Energy: 0.6099567192595332
Energy: 0.4771252240123078
Energy: 1.189535780924564
Energy: 0.4771252240094354
Energy: 0.846668404038547
Energy: 0.47344892264728267
Energy: 1.1811577133490576
Energy: 0.47344892265015504
Energy: 0.846595599115605
Energy: 0.47233068718772053
Energy: 1.1865340886028013
Energy: 0.47233068719001836
Energy: 0.852038032603046
Energy: 0.4738714022414189
Energy: 0.9666968995934464
Energy: 0.4738714022006317
Energy: 1.0723465200961817
Energy: 0.5152247666590205
Energy: 1.1865525094699543
Energy: 0.5152247736500819
Energy: 0.8456362669592812
Energy: 0.5142126366910219
Energy: 1.0705822249715078
Energy: 0.514212636696192
Energy: 1.075470417779867
Energy: 0.5187202483782467
Energy: 0.9664376968940295
Energy: 0.5187202483760011
Energy: 1.073155453043512
Energy: 0.47937806434400776
Energy: 1.0711256772695419
Energy: 0.47937806434113545
Energy: 1.072151176314149
Energy: 0.4728557202332733
Energy: 0.8464562898768615
Energy: 0.4728557202332733
Energy: 1.1850389982640035
Energy: 0.47171343148070705
Energy: 0.7270127651696597
Energy: 0.4717134314812816
Energy: 1.0762408371130021
Energy: 0.47636116435870823
Energy: 0.8530164294906533
Energy: 0.4763611643610062
Energy: 1.2916635331428956
Energy: 0.4738610855345873
Energy: 0.6051840541148993
Energy: 0.47386108553631073
Energy: 1.2882938336234147
Energy: 0.47381873069870617
Energy: 0.6032657130713902
Energy: 0.47381873069928065
Energy: 1.3003620038366805
Energy: 0.4736867865709006
Energy: 0.4771418765162306
Energy: 0.47368678657377294
Energy: 1.2883371932998318
Energy: 0.4757148399528845
Energy: 0.4736660485730679
Energy: 0.4757148399557568
Energy: 1.398291080363187
Energy: 0.47404383950426604
Energy: 0.47517849293410996
Energy: 0.4740438395013937

minimum gb energy = 0.47171343148070705 eV
minimum distance =  2.47157981246327 Angstroms
sigma value = 85


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

Energy: 1.265222103843705
Energy: 0.42631552181836907
Energy: 0.4262788909931866
Energy: 0.41978161357727517
Energy: 1.2503156378838725
Energy: 0.42429289482759397
Energy: 0.5370236107608348
Energy: 0.42429289482809224
Energy: 1.2459142895760251
Energy: 0.42380746597726116
Energy: 0.5402169173216576
Energy: 0.4238074659792541
Energy: 1.0464788772898046
Energy: 0.42508915644825335
Energy: 0.7526143326917945
Energy: 0.4250891564487516
Energy: 1.2491234369578155
Energy: 0.4222148811558288
Energy: 0.7530070969305127
Energy: 0.42221488115831995
Energy: 1.0498947244286607
Energy: 0.42305110326185774
Energy: 0.754130808360887
Energy: 0.42305110326534545
Energy: 1.0539267577605813
Energy: 0.42381879427244823
Energy: 0.957020809719782
Energy: 0.4238187942749394
Energy: 1.1536402206712124
Energy: 0.4227652125106007
Energy: 0.7492471545600897
Energy: 0.4227652125125936
Energy: 1.0533120843141626
Energy: 0.42255862148407897
Energy: 0.9527534029109276
Energy: 0.42255862148507545
Energy: 1.053147045927179
Energy: 0.4959429407322205
Energy: 1.1474135279015738
Energy: 0.4959429407322205
Energy: 0.9537796375484543
Energy: 0.4954548207513331
Energy: 0.9507781971595352
Energy: 0.49545482073738245
Energy: 0.8552539926828553
Energy: 0.4234416668500782
Energy: 1.147729378908495
Energy: 0.4234416668515729
Energy: 0.9523242703106691
Energy: 0.42235606590485314
Energy: 1.1485351226918648
Energy: 0.42235606590385666
Energy: 0.7525405434138602
Energy: 0.42359527515595846
Energy: 0.9550672286881404
Energy: 0.4235952751539655
Energy: 0.6431773166185608
Energy: 0.42245514247998683
Energy: 1.2479643941139416
Energy: 0.42245514248397276
Energy: 0.7574019274953531
Energy: 0.4236236182406478
Energy: 1.1492797416870868
Energy: 0.4236236182426408
Energy: 0.5441471529534038
Energy: 0.425598491024502
Energy: 1.146722320223125
Energy: 0.425598491024502
Energy: 0.5343919548831818
Energy: 0.4226258494306968
Energy: 1.2479187249551573
Energy: 0.4226258494306968
Energy: 0.5386964928380852
Energy: 0.42359990673681286
Energy: 1.2444689146418593
Energy: 0.42359990673681286
Energy: 0.42722979971935043
Energy: 0.4253192751725083
Energy: 1.2450610775482596
Energy: 0.42531927517201
Energy: 0.42312076804830484
Energy: 0.4225814430570575
Energy: 1.2490043908535815
Energy: 0.4225814430575558
Energy: 0.4274501816158579
Energy: 0.4254883723233841
Energy: 1.2433521255013023
Energy: 0.42548837232288583
Energy: 0.5412657955488631
Energy: 0.42508220407216113
Energy: 1.2447764549374676
Energy: 0.4250822040746523
Energy: 0.5357542023221216
Energy: 0.42233892660997474
Energy: 1.249382179028007
Energy: 0.42233892661097117
Energy: 0.5395717048937966
Energy: 0.4272298096637255
Energy: 1.0465712953419015
Energy: 0.4272298096637255
Energy: 0.7532180519421816
Energy: 0.4228440690368591
Energy: 1.2446193688729066
Energy: 0.42284406903735733
Energy: 0.7527402707623649
Energy: 0.42233133927006233
Energy: 1.2449339124625678
Energy: 0.4223313392710588
Energy: 0.7524837940672473
Energy: 0.42427921326207557
Energy: 1.0481521579252182
Energy: 0.4242792132590862
Energy: 0.9558291273768252
Energy: 0.42235559026366803
Energy: 1.2486130288528035
Energy: 0.4223555900425415
Energy: 0.9535287130468058
Energy: 0.42336300411510686
Energy: 1.05034615360871
Energy: 0.4233630041185945
Energy: 1.0563143211547605
Energy: 0.4959959737992544
Energy: 0.8523293828341961
Energy: 0.49599597379676325
Energy: 0.9564265814938121
Energy: 0.49559453207405707
Energy: 1.0555914288275634
Energy: 0.4955945320875095
Energy: 1.1489926460272688
Energy: 0.42294569459295517
Energy: 0.8524295092119918
Energy: 0.4229456945630836
Energy: 1.2500421419539842
Energy: 0.42269555718394813
Energy: 0.8534011728537306
Energy: 0.4226955571819552
Energy: 0.9482231168313942
Energy: 0.4242053883561154
Energy: 0.7522058969424653
Energy: 0.4242053883551189
Energy: 1.3399376320877547
Energy: 0.42248544837337254
Energy: 0.7525326434735803
Energy: 0.42248544837237606
Energy: 1.3402880014188094
Energy: 0.42298753778672293
Energy: 0.7533018018784773
Energy: 0.4229875377887159
Energy: 1.1462678905182386
Energy: 0.42570823269549607
Energy: 0.5381393995379012
Energy: 0.4257082326940014
Energy: 1.2498328313975948
Energy: 0.4221821994598986
Energy: 0.5355568589107823
Energy: 0.42218219946139335
Energy: 1.2446786694445402
Energy: 0.42595356167336207
Energy: 0.5419557129899112
Energy: 0.42595356167435855
Energy: 1.144778526549722
Energy: 0.42508206142408306
Energy: 0.426554777535616
Energy: 0.4250820614255777
Energy: 1.2482910248604089
Energy: 0.4225023756924098
Energy: 0.42264841267157066
Energy: 0.4225023756924098
Energy: 1.2495667386127338
Energy: 0.4232698781573308
Energy: 0.42805220036130237
Energy: 0.423269878157829

minimum gb energy = 0.41978161357727517 eV
minimum distance =  2.46685352590999 Angstroms
sigma value = 113


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

Energy: 0.014736008502678425
Energy: 0.3503095502001709
Energy: 1.0843452149174575
Energy: 0.015337637579282803
Energy: 0.8207913921555997
Energy: 0.09439305575466327
Energy: 0.8216553046605495
Energy: 0.09439305575466327
Energy: 0.01528203373028052
Energy: 0.09336821210155792
Energy: 0.8210826557686347
Energy: 0.09336821210194093
Energy: 0.016325947297769337
Energy: 0.09664136340076389
Energy: 0.8245878347831717
Energy: 0.09664136340076389
Energy: 0.8232518833158521
Energy: 0.09622259225804389
Energy: 0.8240709216792775
Energy: 0.09622259225766087
Energy: 0.015287558270678762
Energy: 0.09322520603492451
Energy: 0.8202697185872114
Energy: 0.09322520603492451

minimum gb energy = 0.014736008502678425 eV
minimum distance =  2.71655497997011 Angstroms
sigma value = 1