Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762095345
mass=55.845
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=[1.90808021872962e-19, 2.7468517301612997e-19, 3.36628526039838e-19, 3.8688079616524797e-19, 4.28971578517062e-19, 4.64897185181244e-19, 4.95928142228556e-19, 5.2293443157126e-19, 5.46548912979786e-19, 5.67249035091066e-19, 5.854032985309199e-19, 6.01308105976638e-19, 6.155931128453819e-19, 6.2873416559745e-19, 6.4002149998398e-19, 6.494871595376519e-19, 6.573602555171279e-19, 6.638618882979e-19, 6.69152275543368e-19, 6.733371609113759e-19, 6.76488642350454e-19, 6.786708069259619e-19, 6.79942935173358e-19, 6.8035629674493e-19, 6.79914095993946e-19, 6.784849544364179e-19, 6.7590224570241e-19, 6.719640955360379e-19, 6.6643338179547e-19, 6.590265192164879e-19, 6.494038463526839e-19, 6.37156808162388e-19, 6.2178872988906e-19, 6.0269879529495e-19, 5.791500031284179e-19, 5.5022751053145e-19, 5.148017829770759e-19, 4.71454894144206e-19, 4.1838759967285797e-19, 3.5329917391660796e-19, 2.73217579219386e-19, 1.74251128537206e-19, 5.1228796783833e-20, -1.0282801680544679e-19, -2.9750817916745996e-19, -5.464095236126279e-19, -8.70488200078344e-19, -1.3048495007921819e-18, -1.9129027703979595e-18, -2.8195905493449e-18, -4.2964769705660996e-18, -7.00445989558656e-18, -1.27711902761091e-17, -2.7399783924014397e-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: 0.01647673139810168
Energy: 0.017092669789531945
Energy: 1.0535920209321794
Energy: 0.11003578532520818
Energy: 0.017092669790162877
Energy: 1.2526009595519398
Energy: 0.11003578532520818
Energy: 1.2526009595476284
Energy: 1.0535920209334413
Energy: 0.1100357853246123
Energy: 0.01647673139810168
Energy: 0.017092669789531945
Energy: 0.11003578532398138
Energy: 1.2526009595198675
Energy: 0.017092669789531945
Energy: 1.252600959482257

minimum gb energy = 0.01647673139810168 eV
minimum distance =  2.50810256489576 Angstroms
sigma value = 1


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

Energy: 0.9807959124498209
Energy: 0.7569560592365285
Energy: 0.7923009054468868
Energy: 0.7901092536886167
Energy: 0.8838806753362134
Energy: 0.8440868060320802
Energy: 0.7788150957542027
Energy: 0.844086806031315
Energy: 0.7790834546187824
Energy: 0.7775905176660539
Energy: 0.8274536732144587
Energy: 0.7775905176675842
Energy: 0.8204411107375822
Energy: 0.8212033626594405
Energy: 0.7790566450512496
Energy: 0.8212033626594405
Energy: 0.8905793885026658
Energy: 0.8222335699521711
Energy: 0.8205596938042793
Energy: 0.8222335699521711
Energy: 0.8185124929490201
Energy: 0.9859386906395184
Energy: 0.8191360185682359
Energy: 0.9859386906395184
Energy: 0.8191251500217314
Energy: 0.9877974380632324
Energy: 0.8871941738660196
Energy: 0.9877974380639977
Energy: 0.8947414474418444
Energy: 0.9880621798599327
Energy: 0.8228018722462302
Energy: 0.988062179861463
Energy: 0.8234414353232156
Energy: 1.078278871632036
Energy: 0.8211801510287586
Energy: 1.078278871632036
Energy: 0.8836637897479481
Energy: 1.0773188208526416
Energy: 0.8937229312298761
Energy: 1.0773188208518767
Energy: 0.8827820840322589
Energy: 1.0777217061010518
Energy: 0.8220831184078107
Energy: 1.0777217061010518
Energy: 0.895225471962587
Energy: 1.0759836517959922
Energy: 0.8245232994623037
Energy: 1.0759836517967574
Energy: 0.8194959480765504
Energy: 0.9868351043476145
Energy: 0.8828266417016084
Energy: 0.9868351043476145
Energy: 0.8205305818666906
Energy: 0.9905020521732921
Energy: 0.8850779935256626
Energy: 0.9905020521732921
Energy: 0.8853530854452051
Energy: 0.8214274121020597
Energy: 0.8201196225181671
Energy: 0.8214274121012946
Energy: 0.8125552937577031
Energy: 0.8216509633780461
Energy: 0.8192083692899229
Energy: 0.8216509633780461
Energy: 0.7781163694202099
Energy: 0.7759682644925946
Energy: 0.7568505589037459
Energy: 0.7759682644918293
Energy: 0.7793653790972286
Energy: 0.8206659961880746
Energy: 0.7987464893725439
Energy: 0.8206659961880746
Energy: 0.8269226580802651
Energy: 0.7806482493021915
Energy: 0.7822756581736021
Energy: 0.7806482493014263
Energy: 0.8222856662618052
Energy: 0.8209726378155927
Energy: 0.8213484472041944
Energy: 0.8209726378163579
Energy: 0.8223640705352779
Energy: 0.8195310071830606
Energy: 0.8905828778157806
Energy: 0.8195310071830606
Energy: 0.819067055307029
Energy: 0.8212382628752064
Energy: 0.7774046994542396
Energy: 0.8212382628752064
Energy: 0.8869857799927436
Energy: 0.9890026347151254
Energy: 0.8821604554738216
Energy: 0.9890026347151254
Energy: 0.8220131327221384
Energy: 0.9867159345017452
Energy: 0.8950521522494694
Energy: 0.98671593450098
Energy: 0.8212359995051911
Energy: 1.0793685612329098
Energy: 0.8234836855346706
Energy: 1.0793685612321444
Energy: 0.8962858372265968
Energy: 1.0777238491467134
Energy: 0.8859511312921142
Energy: 1.0777238491474783
Energy: 0.8223737143088558
Energy: 1.0791176372967268
Energy: 0.8826903166189404
Energy: 1.0791176372967268
Energy: 0.8768602017441126
Energy: 1.078755107144088
Energy: 0.8889611754327247
Energy: 1.078755107144088
Energy: 0.8826614492276216
Energy: 0.988809323401623
Energy: 0.8220226864813623
Energy: 0.9888093234023881
Energy: 0.8856172022605
Energy: 0.9915482309446617
Energy: 0.8194298310591772
Energy: 0.9915482309446617
Energy: 0.8209267853665424
Energy: 0.8215750844066443
Energy: 0.8856276300630902
Energy: 0.8215750844051138
Energy: 0.8220301852680797
Energy: 0.8210977852052846
Energy: 0.8147419239523931
Energy: 0.8210977852060498
Energy: 0.7565732902104015
Energy: 0.7761410656628203
Energy: 0.7770773902916934
Energy: 0.7761410656628203

minimum gb energy = 0.7565732902104015 eV
minimum distance =  2.2521725475 Angstroms
sigma value = 1


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

Energy: 0.9906616758987121
Energy: 0.8128828761891925
Energy: 0.8491245414068499
Energy: 0.8468541209554846
Energy: 0.9574674543681411
Energy: 0.9059110043232299
Energy: 0.835027213220401
Energy: 0.9059110043232299
Energy: 0.8319654032495448
Energy: 0.8327904908905605
Energy: 0.951698417748299
Energy: 0.8327904908905605
Energy: 0.8839262898949578
Energy: 0.886650072205938
Energy: 0.8354486382160088
Energy: 0.8866500722068104
Energy: 0.9468738402649061
Energy: 0.8862606473078997
Energy: 0.884199122840317
Energy: 0.8862606473087722
Energy: 0.8831080122862693
Energy: 1.03404514544056
Energy: 0.8836301546701494
Energy: 1.03404514544056
Energy: 0.8830789738188517
Energy: 1.0691253451208145
Energy: 0.884629993948741
Energy: 1.069125345119942
Energy: 0.9674317646475283
Energy: 1.069182302981254
Energy: 0.8827025848131105
Energy: 1.0691823029821264
Energy: 0.8835097989962309
Energy: 1.1549212391982233
Energy: 0.8092377615388393
Energy: 1.1549212391990955
Energy: 0.8845647861962054
Energy: 1.1551593369853344
Energy: 0.9679254072272085
Energy: 1.1551593369879516
Energy: 0.9466113211981071
Energy: 1.0710373798733237
Energy: 0.8827833886096812
Energy: 1.071037379869834
Energy: 0.9536519353692455
Energy: 1.0692875141099323
Energy: 0.8837337279518722
Energy: 1.0692875141108047
Energy: 0.8841763023616931
Energy: 0.8851215711984355
Energy: 0.9508882541255469
Energy: 0.8851215711993078
Energy: 0.8838829957393817
Energy: 0.8859317560776148
Energy: 0.8061251607918947
Energy: 0.8859317560758699
Energy: 0.8101474437826824
Energy: 0.8298963816460344
Energy: 0.8334483365908395
Energy: 0.8298963816460344
Energy: 0.8539017437258346
Energy: 0.8841249863031566
Energy: 0.835788421683968
Energy: 0.8841249863040289
Energy: 0.8381410018965701
Energy: 0.8361083047517944
Energy: 0.8890122961886798
Energy: 0.8361083047526668
Energy: 0.8833464497371409
Energy: 0.8848666479151942
Energy: 0.8862782610868107
Energy: 0.8848666479160666
Energy: 0.9466379757543917
Energy: 0.8838258337604682
Energy: 0.8842444204310398
Energy: 0.8838258337648305
Energy: 0.8345234537804199
Energy: 0.8861868725262904
Energy: 0.8837365549489166
Energy: 0.8861868725262904
Energy: 0.8831791726299123
Energy: 1.0697817060189951
Energy: 0.8853083525310007
Energy: 1.0697817060189951
Energy: 0.9666696946265974
Energy: 1.0689529356785328
Energy: 0.8824696341100894
Energy: 1.0689529356776606
Energy: 0.8845416103507681
Energy: 1.1562627192200627
Energy: 0.8067260148299804
Energy: 1.1562627192218078
Energy: 0.8819124677982937
Energy: 1.1544534988319188
Energy: 0.9559442551107822
Energy: 1.1544534988327912
Energy: 0.9462638136261593
Energy: 1.0703539944738085
Energy: 0.8825672210854417
Energy: 1.070353994476426
Energy: 0.9544207642215095
Energy: 1.0683973540295972
Energy: 0.8839869787701943
Energy: 1.0683973540295972
Energy: 0.885138327762922
Energy: 0.885525377642237
Energy: 0.9509375351596175
Energy: 0.885525377642237
Energy: 0.8835482373890409
Energy: 0.8846793459193675
Energy: 0.8724427572933764
Energy: 0.8846793459176225
Energy: 0.8106718671436762
Energy: 0.830505537679911
Energy: 0.8323767341359317
Energy: 0.8305055376790385

minimum gb energy = 0.8061251607918947 eV
minimum distance =  2.24888614159298 Angstroms
sigma value = 25


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

Energy: 1.1450344578894924
Energy: 0.8783483290130558
Energy: 0.9196898572566033
Energy: 0.9180394372332785
Energy: 1.0468697627070762
Energy: 0.9801728628327063
Energy: 0.9044887749178906
Energy: 0.9801728628327063
Energy: 0.8990984042718001
Energy: 0.8981491108704988
Energy: 0.9632010052411907
Energy: 0.8981491108694846
Energy: 0.9602406682401562
Energy: 0.9634851372320609
Energy: 0.9059453881349245
Energy: 0.9634851372320609
Energy: 0.9550380966873192
Energy: 0.9632379089197463
Energy: 0.9618882494307952
Energy: 0.9632379089197463
Energy: 0.9618862129923474
Energy: 1.1739434012683512
Energy: 0.9619489828145502
Energy: 1.1739434012683512
Energy: 0.9611030555424871
Energy: 1.1686717111065699
Energy: 0.963096501101848
Energy: 1.168671711107584
Energy: 1.0602113894627947
Energy: 1.1672781624465123
Energy: 1.010613795860135
Energy: 1.1672781624465123
Energy: 0.9609326846378647
Energy: 1.1725923064797215
Energy: 0.8765592896337988
Energy: 1.1725923064787074
Energy: 0.962341741313441
Energy: 1.1687396845980778
Energy: 0.9616463796867604
Energy: 1.1687396845980778
Energy: 1.014167163623138
Energy: 0.9636590312645174
Energy: 0.9620093885665417
Energy: 0.9636590312635033
Energy: 0.9452492719641528
Energy: 0.9615384450259439
Energy: 0.9618767527203727
Energy: 0.9615384450269581
Energy: 0.900442428509426
Energy: 0.8973882354976017
Energy: 1.0206927176282348
Energy: 0.8973882354965875
Energy: 0.9039446885428836
Energy: 0.9620028325187825
Energy: 0.9247465787368214
Energy: 0.9620028325187825
Energy: 0.9613156630415256
Energy: 0.9045002212553807
Energy: 0.9074670574000182
Energy: 0.9045002212543665
Energy: 1.0419930811746538
Energy: 0.9611031531933553
Energy: 0.8990545661568705
Energy: 0.9611031531923412
Energy: 0.9623574844729318
Energy: 0.9615084808308056
Energy: 0.954831449873243
Energy: 0.9615084808297913
Energy: 0.9622531050654607
Energy: 0.9636866089735481
Energy: 0.8968848746819017
Energy: 0.9636866089735481
Energy: 0.9632983146117621
Energy: 1.1686906954261154
Energy: 0.9610149220575358
Energy: 1.1686906954251473
Energy: 0.9479664792873869
Energy: 1.1685657171138322
Energy: 0.9610240616581129
Energy: 1.1685657171148465
Energy: 0.8705819172659828
Energy: 1.1698910705989747
Energy: 0.9606883374313097
Energy: 1.1698910705989747
Energy: 0.9467289559222783
Energy: 1.1683909121922322
Energy: 0.9610460711668454
Energy: 1.1683909121922322
Energy: 0.9627477362597682
Energy: 0.9631477755915029
Energy: 1.0132997231975565
Energy: 0.9631477755915029
Energy: 0.9612040777050482
Energy: 0.9650777617602121
Energy: 0.9446186663965428
Energy: 0.9650777617612262
Energy: 1.0224566411452085
Energy: 0.8977746403172798
Energy: 0.8991008488788662
Energy: 0.897774640318294

minimum gb energy = 0.8705819172659828 eV
minimum distance =  2.24488121685282 Angstroms
sigma value = 9


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

Energy: 1.2179675403881212
Energy: 0.9569987445883376
Energy: 1.002831062528707
Energy: 0.9759670928898057
Energy: 1.0956787205864775
Energy: 1.0656695852693867
Energy: 1.0647983838458082
Energy: 1.0656695852693867
Energy: 0.976307354424088
Energy: 0.9770409262862059
Energy: 1.0601420240740715
Energy: 0.9770409262898355
Energy: 0.9760594192586974
Energy: 1.0612785971867702
Energy: 1.060690532407271
Energy: 1.06127859718919
Energy: 1.1469190047836018
Energy: 1.0616838136834332
Energy: 1.0611434764346463
Energy: 1.0616838136846432
Energy: 1.1359749974504063
Energy: 1.134027490439348
Energy: 1.061104153285941
Energy: 1.1340274904405576
Energy: 1.1701271586115738
Energy: 1.3197239172782658
Energy: 1.0592383046160299
Energy: 1.3197239172770558
Energy: 1.080406477380254
Energy: 1.3218028623810123
Energy: 1.1320966838914033
Energy: 1.3218028623810123
Energy: 1.0609116966324674
Energy: 1.0609896826347431
Energy: 0.9450624512987796
Energy: 1.0609896826347431
Energy: 1.0606629465019164
Energy: 1.0623876546193705
Energy: 1.0260924310437445
Energy: 1.0623876546169508
Energy: 1.1067685882297689
Energy: 0.9767963340667007
Energy: 0.9764668394090034
Energy: 0.9767963340667007
Energy: 1.0967606866046287
Energy: 1.0617827952756824
Energy: 0.9878686429579207
Energy: 1.0617827952768921
Energy: 0.9899541186886738
Energy: 0.9877291091953405
Energy: 1.0576294034345142
Energy: 0.9877291091965504
Energy: 0.9764695204864129
Energy: 1.05931597235595
Energy: 1.0608607628224616
Energy: 1.05931597235716
Energy: 1.1467279227590466
Energy: 1.05964870526726
Energy: 1.0615791960996865
Energy: 1.0596487052684698
Energy: 1.134290017573417
Energy: 1.0620892940168691
Energy: 1.061387221182416
Energy: 1.0620892940168691
Energy: 1.1664900084086376
Energy: 1.323881238803271
Energy: 1.059361521374847
Energy: 1.323881238803271
Energy: 1.1664717222232428
Energy: 1.3207856635040334
Energy: 1.1339847501164866
Energy: 1.3207856635052433
Energy: 1.0621515966740178
Energy: 1.0611625392339292
Energy: 1.0248268575733193
Energy: 1.0611625392327195
Energy: 1.0621237963823094
Energy: 1.063354308620449
Energy: 1.0247424693307763
Energy: 1.0633543086192392
Energy: 0.9509277946330761
Energy: 0.9761937802669746
Energy: 0.9783260144230362
Energy: 0.9761937801617717

minimum gb energy = 0.9450624512987796 eV
minimum distance =  2.25090676207492 Angstroms
sigma value = 25


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

Energy: 1.3321524977584809
Energy: 1.0608154680835644
Energy: 1.1305483137196009
Energy: 1.0955170199247577
Energy: 1.099802629703245
Energy: 1.1375765534572673
Energy: 1.10555985711315
Energy: 1.1375765534557711
Energy: 1.094541100830416
Energy: 1.0940745629328474
Energy: 1.1162951272165116
Energy: 1.0940745629328474
Energy: 1.092448648910233
Energy: 1.138378531210909
Energy: 1.077439440255487
Energy: 1.138378531210909
Energy: 1.079876078660001
Energy: 1.2600296163151121
Energy: 1.077854293153895
Energy: 1.2600296163151121
Energy: 1.0509104197428936
Energy: 1.2671322665469833
Energy: 1.0781004062592257
Energy: 1.267132266545487
Energy: 1.0478511519765499
Energy: 1.2593153167360174
Energy: 1.079903986185821
Energy: 1.2593153167345212
Energy: 1.0476415678437738
Energy: 1.2586966355242823
Energy: 1.0802713311262027
Energy: 1.258696635522786
Energy: 1.0948359062923025
Energy: 1.0940774485200675
Energy: 1.1347679454566297
Energy: 1.0940774485200675
Energy: 1.1054822605463803
Energy: 1.0942440525859152
Energy: 1.0993041440021611
Energy: 1.0942440525859152
Energy: 1.100316395730025
Energy: 1.0932499244420375
Energy: 1.1083008717064462
Energy: 1.0932499244420375
Energy: 1.099002895650357
Energy: 1.0944366952210547
Energy: 1.0940854275930754
Energy: 1.0944366952210547
Energy: 1.07776636985374
Energy: 1.2661036017094733
Energy: 1.0809257089191207
Energy: 1.2661036017094733
Energy: 1.078023443939462
Energy: 1.2597511228746765
Energy: 1.0524341610156844
Energy: 1.25975112287318
Energy: 1.0788051161927954
Energy: 1.2585203013901087
Energy: 1.0471849824719663
Energy: 1.2585203013901087
Energy: 1.0778711541693686
Energy: 1.2589193400738854
Energy: 1.0473697781341051
Energy: 1.2589193400738854
Energy: 1.1325933500057035
Energy: 1.0940609382692719
Energy: 1.0939904931807007
Energy: 1.0940609382692719

minimum gb energy = 1.0471849824719663 eV
minimum distance =  2.25268834301909 Angstroms
sigma value = 17


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

Energy: 1.9742036340194984
Energy: 1.1545306581987411
Energy: 1.2204387990510288
Energy: 1.1741992250552435
Energy: 1.149634160421978
Energy: 1.1205940021580727
Energy: 1.1902198288738954
Energy: 1.1205940021606149
Energy: 1.1195465713716626
Energy: 1.1197187704721274
Energy: 1.1758201381491356
Energy: 1.1197187704729747
Energy: 1.119767816249991
Energy: 1.34467180330236
Energy: 1.118536210413236
Energy: 1.34467180330236
Energy: 1.2101353162309731
Energy: 1.3967508160409732
Energy: 1.2540866611156227
Energy: 1.3967508160409732
Energy: 1.1214317442753083
Energy: 1.3242903962474872
Energy: 1.1223654835658738
Energy: 1.32429039624664
Energy: 1.1432413371925978
Energy: 1.1190546022842105
Energy: 1.1220541354933211
Energy: 1.1190546022842105
Energy: 1.1997217404737168
Energy: 1.1186541717101166
Energy: 1.1417301399025046
Energy: 1.1186541717109642
Energy: 1.190161893692926
Energy: 1.1717207719473979
Energy: 1.1804654184823125
Energy: 1.171720771945703
Energy: 1.1734219918566802
Energy: 1.1716952633817923
Energy: 1.19493401852596
Energy: 1.171695263380945
Energy: 1.2102529584504473
Energy: 1.1843322198235857
Energy: 1.1169712130481633
Energy: 1.1843322198244328
Energy: 1.1712607356707163
Energy: 1.1834009234179024
Energy: 1.1777646628611715
Energy: 1.183400923417055
Energy: 1.140616217367205
Energy: 1.1826231632659618
Energy: 1.178374922082969
Energy: 1.1826231632659618
Energy: 1.1402455284654462
Energy: 1.1827693777869337
Energy: 1.1170279235973046
Energy: 1.1827693777869337
Energy: 1.1720591410101908
Energy: 1.1706801601531949
Energy: 1.2061313761118224
Energy: 1.1706801601557368
Energy: 1.191447031071936
Energy: 1.1707526190030666
Energy: 1.2059650452157926
Energy: 1.1707526190030666
Energy: 1.1760248016147348
Energy: 1.119440414434671
Energy: 1.14243092726674
Energy: 1.1194404144338237
Energy: 1.176075257849356
Energy: 1.1191181927868732
Energy: 1.1198995945402634
Energy: 1.1191181927877205
Energy: 1.1188327278756607
Energy: 1.322229311671383
Energy: 1.2119855469173175
Energy: 1.3222293116696882
Energy: 1.2615343297858927
Energy: 1.3305735760487405
Energy: 1.1216065042015084
Energy: 1.3305735760478932
Energy: 1.1197424591662102
Energy: 1.1196241092707266
Energy: 1.199290046418644
Energy: 1.119624109271574
Energy: 1.1445787721057292
Energy: 1.1419057554594279
Energy: 1.1433814141067173
Energy: 1.1419057554602752
Energy: 1.1589066878990943
Energy: 1.1718292251323668
Energy: 1.1904655873989314
Energy: 1.1718292251306721
Energy: 1.180703633560788
Energy: 1.1717735599097217
Energy: 1.1719103240767266
Energy: 1.1717735599097217
Energy: 1.1186009690552838
Energy: 1.1819145942161333
Energy: 1.1723896891494476
Energy: 1.1819145942169806
Energy: 1.1776306765564777
Energy: 1.1815361692769684
Energy: 1.2131392940259296
Energy: 1.1815361692769684
Energy: 1.116199593386362
Energy: 1.2583833396598545
Energy: 1.141916206627516
Energy: 1.2583833396607018
Energy: 1.1785953553999176
Energy: 1.1845840163550136
Energy: 1.1401820385118984
Energy: 1.1845840163550136
Energy: 1.1788938704333527
Energy: 1.3438371936671585
Energy: 1.1401744274515415
Energy: 1.343837193666311
Energy: 1.2053846149062815
Energy: 1.171558439948294
Energy: 1.1702797279833481
Energy: 1.1715584399474466

minimum gb energy = 1.116199593386362 eV
minimum distance =  2.25837843775673 Angstroms
sigma value = 53


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

Energy: 1.7844287897285667
Energy: 1.119885238967812
Energy: 1.166374170479888
Energy: 1.1669011722286917
Energy: 1.2210096936149681
Energy: 1.1665353971500643
Energy: 1.169052620310407
Energy: 1.1665353971500643
Energy: 1.166840568077712
Energy: 1.1679564216898977
Energy: 1.188810832891421
Energy: 1.1679564216898977
Energy: 1.1684086002578777
Energy: 1.1812792467201103
Energy: 1.1669078281492828
Energy: 1.1812792467220612
Energy: 1.1859584098631164
Energy: 1.180920047057393
Energy: 1.102288801149742
Energy: 1.180920047059344
Energy: 1.1661605041089758
Energy: 1.1822245404673437
Energy: 1.102510035095382
Energy: 1.1822245404673437
Energy: 1.2169241179482244
Energy: 1.1666551329384387
Energy: 1.1668701874690244
Energy: 1.1666551329364878
Energy: 1.2171563741917932
Energy: 1.166708818739289
Energy: 1.166153064399978
Energy: 1.166708818739289
Energy: 1.168315585262504
Energy: 1.167324982466195
Energy: 1.188976673264
Energy: 1.167324982466195
Energy: 1.1678005110620422
Energy: 1.1663454946052625
Energy: 1.1668334924640578
Energy: 1.1663454946033116
Energy: 1.1860211057284842
Energy: 1.1842497347578842
Energy: 1.102772609314502
Energy: 1.1842497347578842
Energy: 1.1688170906229427
Energy: 1.1807705378725726
Energy: 1.1046360883687447
Energy: 1.1807705378725726
Energy: 1.2171852271592212
Energy: 1.1668936599143223
Energy: 1.1662740796018214
Energy: 1.1668936599143223

minimum gb energy = 1.102288801149742 eV
minimum distance =  2.257834457676 Angstroms
sigma value = 9


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

Energy: 1.6861009138925303
Energy: 1.1853052128542967
Energy: 1.2908151171775186
Energy: 1.2145188909188507
Energy: 1.2380842846936981
Energy: 1.156020076922622
Energy: 1.2966231740244287
Energy: 1.1560200769211777
Energy: 1.163516311834492
Energy: 1.158283929900232
Energy: 1.2121994539342664
Energy: 1.1582839298995102
Energy: 1.1604406172456587
Energy: 1.1573229220097185
Energy: 1.2790757138342819
Energy: 1.1573229220089967
Energy: 1.1587041176978918
Energy: 1.156141538326031
Energy: 1.2501694662836198
Energy: 1.156141538326031
Energy: 1.2139526474385651
Energy: 1.156387945695535
Energy: 1.2499719693953486
Energy: 1.1563879456940909
Energy: 1.2950206727406164
Energy: 1.2103472815389225
Energy: 1.2900833110980456
Energy: 1.2103472815374785
Energy: 1.2954780171094844
Energy: 1.209618019490113
Energy: 1.211153743596273
Energy: 1.209618019490113
Energy: 1.152460865928657
Energy: 1.2596631510220315
Energy: 1.1897560025811
Energy: 1.2596631510220315
Energy: 1.1806943828119385
Energy: 1.1907831860683329
Energy: 1.214079332950003
Energy: 1.1907831860683329
Energy: 1.148893017840972
Energy: 1.1493685634460873
Energy: 1.3231624656550693
Energy: 1.1493685634453654
Energy: 1.2377755227422762
Energy: 1.2028297331717197
Energy: 1.2540285519157108
Energy: 1.2028297331702757
Energy: 1.291960312038674
Energy: 1.1498318458796357
Energy: 1.3139065091569315
Energy: 1.1498318458774692
Energy: 1.2916409376888809
Energy: 1.1499293649071065
Energy: 1.1530382681809161
Energy: 1.1499293649071065
Energy: 1.2090720962707948
Energy: 1.1905846400943985
Energy: 1.1855625742171054
Energy: 1.1905846400936764
Energy: 1.1666723130741885
Energy: 1.3736747965328238
Energy: 1.1860508466117936
Energy: 1.3736747965313796
Energy: 1.2153749080563088
Energy: 1.2365739140477665
Energy: 1.1522405983930872
Energy: 1.2365739140470446
Energy: 1.2084924640202963
Energy: 1.2109631941372327
Energy: 1.2585164487535563
Energy: 1.2109631941379548
Energy: 1.294865787203014
Energy: 1.2095457130744809
Energy: 1.290076898518813
Energy: 1.2095457130730367
Energy: 1.2118242650932733
Energy: 1.1589518301876047
Energy: 1.1577230111268513
Energy: 1.158951830188327
Energy: 1.2807630989411354
Energy: 1.157100553003893
Energy: 1.160158954642851
Energy: 1.157100553002449
Energy: 1.2498986042684914
Energy: 1.1560527730825076
Energy: 1.157182863605893
Energy: 1.1560527730825076
Energy: 1.2497896270902646
Energy: 1.156721627941484
Energy: 1.2130511689844885
Energy: 1.156721627941484
Energy: 1.2898698168476241
Energy: 1.209819264209392
Energy: 1.295133463906897
Energy: 1.2098192642079477
Energy: 1.2106071081401992
Energy: 1.2100774921483086
Energy: 1.2951978842232814
Energy: 1.2100774921483086
Energy: 1.1884175880275494
Energy: 1.2605886836310327
Energy: 1.1509622052523723
Energy: 1.2605886836635245
Energy: 1.2152637820017285
Energy: 1.1907147723816194
Energy: 1.1802562489486248
Energy: 1.1907147723794531
Energy: 1.323288770681133
Energy: 1.1492878903970198
Energy: 1.149857668974683
Energy: 1.1492878903962975
Energy: 1.2540087745130024
Energy: 1.235983686715876
Energy: 1.1881444155493515
Energy: 1.235983686715154
Energy: 1.316169773556867
Energy: 1.149923074441923
Energy: 1.2917320403965655
Energy: 1.1499230744426452
Energy: 1.1540810632279652
Energy: 1.1502624988602748
Energy: 1.214867714885329
Energy: 1.1502624988602748
Energy: 1.1570630752675044
Energy: 1.1532719935774527
Energy: 1.2095573916314457
Energy: 1.1532719935774527
Energy: 1.1867997881477936
Energy: 1.3727149473295543
Energy: 1.1665836464533872
Energy: 1.3727149473295543
Energy: 1.1511608501868111
Energy: 1.236228425368804
Energy: 1.174644508325725
Energy: 1.2362284253680822
Energy: 1.258505408081295
Energy: 1.2107963831189341
Energy: 1.2168627245018846
Energy: 1.210796383119656

minimum gb energy = 1.148893017840972 eV
minimum distance =  2.26759763350525 Angstroms
sigma value = 73


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

Energy: 1.2586750406533915
Energy: 1.1504869043270811
Energy: 1.1631710608329708
Energy: 1.1650660686142815
Energy: 1.1762202283996686
Energy: 1.3465691717173303
Energy: 1.1856480507825216
Energy: 1.3465691717173303
Energy: 1.1522695719538039
Energy: 1.1523802623412518
Energy: 1.185690650612018
Energy: 1.1523802623412518
Energy: 1.1524554925682324
Energy: 1.152927233318498
Energy: 1.2153834410189357
Energy: 1.152927233318498
Energy: 1.1595120425609127
Energy: 1.1577461301385803
Energy: 1.2479435481801295
Energy: 1.1577461301385803
Energy: 1.181834756225087
Energy: 1.4116088786443004
Energy: 1.2480491050096485
Energy: 1.411608878643155
Energy: 1.2112839043767356
Energy: 1.1921596308554636
Energy: 1.2468130422075543
Energy: 1.1921596308554636
Energy: 1.2124543373567147
Energy: 1.1910198636266698
Energy: 1.1923798580499492
Energy: 1.1910198636266698
Energy: 1.1628204152788266
Energy: 1.2306448577486737
Energy: 1.1925776361099385
Energy: 1.230644857747528
Energy: 1.183938416331428
Energy: 1.3758883117717366
Energy: 1.1941134287954969
Energy: 1.3758883117717366
Energy: 1.1641496555427975
Energy: 1.1023302430681445
Energy: 1.1027691253327572
Energy: 1.1023302430681445
Energy: 1.1760046956795596
Energy: 1.1052971045342592
Energy: 1.2183021023707932
Energy: 1.105297104535379
Energy: 1.1864131190018536
Energy: 1.3440956555226302
Energy: 1.1966727931864978
Energy: 1.3440956555226302
Energy: 1.1838938932679453
Energy: 1.1475937313439284
Energy: 1.146535398862866
Energy: 1.1475937313439284
Energy: 1.2093681675695664
Energy: 1.185222472199441
Energy: 1.1487369983113478
Energy: 1.1852224721982958
Energy: 1.2480821389810162
Energy: 1.1826075368967381
Energy: 1.180635782956977
Energy: 1.1826075368967381
Energy: 1.2477983260482972
Energy: 1.4345523659367103
Energy: 1.192357520370321
Energy: 1.4345523659390014
Energy: 1.1927194805647705
Energy: 1.2356466671879744
Energy: 1.212530068614715
Energy: 1.2356466671879744
Energy: 1.1717871442429981
Energy: 1.1700875817080616
Energy: 1.2111365621132426
Energy: 1.1700875817080616
Energy: 1.2195856907244977
Energy: 1.2821116624425106
Energy: 1.1638059070306805
Energy: 1.2821116624425106
Energy: 1.169639582460217
Energy: 1.3869676080090474
Energy: 1.183681819223887
Energy: 1.386967608010193
Energy: 1.2575264439281262
Energy: 1.1634939801093336
Energy: 1.166329568928937
Energy: 1.1634939801093336

minimum gb energy = 1.1023302430681445 eV
minimum distance =  2.25586784385321 Angstroms
sigma value = 7


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

Energy: 1.3602026412225667
Energy: 1.1360788160274786
Energy: 1.2705269084079118
Energy: 1.1642244675978277
Energy: 1.2415477268860422
Energy: 1.3487250650278826
Energy: 1.2571105851236344
Energy: 1.3487250650278826
Energy: 1.1356897910173815
Energy: 1.1835008259818744
Energy: 1.2247071919745782
Energy: 1.1835008259834947
Energy: 1.140334524804993
Energy: 1.1827766927465597
Energy: 1.2537047784648538
Energy: 1.1827766927449395
Energy: 1.1360530424330952
Energy: 1.1330862348566184
Energy: 1.2121851392569138
Energy: 1.1330862348549984
Energy: 1.2874316444632834
Energy: 1.1322979241589528
Energy: 1.2175511894658708
Energy: 1.1322979241573325
Energy: 1.2557491152596565
Energy: 1.1336370418649304
Energy: 1.2849784858716882
Energy: 1.1336370418657402
Energy: 1.2560423698106982
Energy: 1.132664379534438
Energy: 1.1332536633047883
Energy: 1.132664379533628
Energy: 1.2555041833249732
Energy: 1.1802904307320325
Energy: 1.1808148033045702
Energy: 1.1802904307320325
Energy: 1.2073639841364487
Energy: 1.4823905503274797
Energy: 1.1341895067548626
Energy: 1.4823905503274797
Energy: 1.2536156241157725
Energy: 1.1633795535371163
Energy: 1.2869132633699614
Energy: 1.1633795535371163
Energy: 1.1709411418945597
Energy: 1.1647908031063552
Energy: 1.2592263680805806
Energy: 1.164790803103115
Energy: 1.1685332846578707
Energy: 1.349390514907391
Energy: 1.1661495317790624
Energy: 1.3493905149090113
Energy: 1.2213981831063294
Energy: 1.2760468339724764
Energy: 1.217693994131774
Energy: 1.2760468339716666
Energy: 1.166211922180579
Energy: 1.3499512092612485
Energy: 1.1225238278775915
Energy: 1.3499512092612485
Energy: 1.2975830061509228
Energy: 1.1649711202545066
Energy: 1.1706702541226752
Energy: 1.1649711202536965
Energy: 1.2972931732753006
Energy: 1.162641349923918
Energy: 1.254492322142631
Energy: 1.1626413499247283
Energy: 1.1356622443979545
Energy: 1.390532897965777
Energy: 1.2264396103442852
Energy: 1.3905328979714473
Energy: 1.1811777470723512
Energy: 1.180931762961893
Energy: 1.255632925603584
Energy: 1.180931762965943
Energy: 1.1324596610400068
Energy: 1.1318876925116612
Energy: 1.2944010274002233
Energy: 1.1318876925116612
Energy: 1.2845470106778352
Energy: 1.1337615425249874
Energy: 1.2121947191302322
Energy: 1.1337615425249874
Energy: 1.25553166096659
Energy: 1.1321315353047567
Energy: 1.2872360369110871
Energy: 1.1321315353047567
Energy: 1.2554081637732721
Energy: 1.1331388888398988
Energy: 1.1350838842919746
Energy: 1.1331388888383152
Energy: 1.25425925979393
Energy: 1.1818873381121129
Energy: 1.183772122552918
Energy: 1.1818873381137331
Energy: 1.2071968767810033
Energy: 1.1829974900243838
Energy: 1.1359087530760534
Energy: 1.1829974900235738
Energy: 1.2113143559791328
Energy: 1.3483196642256687
Energy: 1.195833459558503
Energy: 1.3483196642378195
Energy: 1.1643835679084342
Energy: 1.1664292279025286
Energy: 1.7964013387914028
Energy: 1.1664292279025286
Energy: 1.1653188073382883
Energy: 1.3498077645160078
Energy: 1.1617161350395704
Energy: 1.3498077645184379
Energy: 1.2236236700552001
Energy: 1.2771637527512592
Energy: 1.1681076852906984
Energy: 1.2771637527512592
Energy: 1.163475400054637
Energy: 1.392878375921913
Energy: 1.2174047194231779
Energy: 1.392878375921913
Energy: 1.2977806476444098
Energy: 1.1631806342676938
Energy: 1.1672173529050862
Energy: 1.1631806342676938

minimum gb energy = 1.1225238278775915 eV
minimum distance =  2.26113804476243 Angstroms
sigma value = 29


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

Energy: 1.1623770870508086
Energy: 1.1637556245748393
Energy: 1.065176098559283
Energy: 1.2078464380713008
Energy: 1.0613176719388164
Energy: 1.1432707796204196
Energy: 1.0633960222183745
Energy: 1.1432707796201373
Energy: 1.0638675082083322
Energy: 1.1438730078961203
Energy: 1.1173633652493622
Energy: 1.1438730078966846
Energy: 1.0641078933940942
Energy: 1.0636963264109762
Energy: 1.0624505583409622
Energy: 1.0636963264109762
Energy: 1.0638390674096203
Energy: 1.064214737594478
Energy: 1.0598368756946768
Energy: 1.0642147375947602
Energy: 1.06220713794366
Energy: 1.1442568234975505
Energy: 1.0646762913815178
Energy: 1.1442568234980834
Energy: 1.1179468858995714
Energy: 1.1438113226739304
Energy: 1.0631018040048477
Energy: 1.1438113226742126
Energy: 1.0621241947350488
Energy: 1.0657863731239579
Energy: 1.0625845859912142
Energy: 1.0657863731233936
Energy: 1.0609431885217868
Energy: 1.1159705097761417
Energy: 1.1166917800236988
Energy: 1.1159705097761417

minimum gb energy = 1.0598368756946768 eV
minimum distance =  2.23378381721882 Angstroms
sigma value = 5


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

Energy: 1.3629490881676904
Energy: 1.0623416576011147
Energy: 1.2368265546897215
Energy: 1.0690975976167103
Energy: 1.284130274782293
Energy: 1.052441000540208
Energy: 1.2054495327910721
Energy: 1.0524410005386777
Energy: 1.2053680283689632
Energy: 1.1437730303710614
Energy: 1.2106505867351256
Energy: 1.1437730303710614
Energy: 1.1038627976715665
Energy: 1.075181035655368
Energy: 1.2085228612682242
Energy: 1.075181035655368
Energy: 1.207732346581062
Energy: 1.0549033343338403
Energy: 1.2105351866907335
Energy: 1.0549033343338403
Energy: 1.0563884239150283
Energy: 1.0546379201284588
Energy: 1.319813949552126
Energy: 1.0546379201284588
Energy: 1.0829873798142522
Energy: 1.0839521984465723
Energy: 1.3119979198900773
Energy: 1.0839521984473373
Energy: 1.0532158823944566
Energy: 1.0529632816463623
Energy: 1.354341562543245
Energy: 1.0529632816463623
Energy: 1.2832383670694982
Energy: 1.2854800450539985
Energy: 1.345328157039891
Energy: 1.2854800450547637
Energy: 1.237601342762552
Energy: 1.0507994895528534
Energy: 1.0523032533674372
Energy: 1.050799489554384
Energy: 1.2815324332708153
Energy: 1.051510605885001
Energy: 1.0512992263362997
Energy: 1.051510605885001
Energy: 1.3486939520961325
Energy: 1.052545227072791
Energy: 1.053924314409899
Energy: 1.052545227072026
Energy: 1.3520718539536982
Energy: 1.0433990116202092
Energy: 1.3134133685936134
Energy: 1.0433990116209741
Energy: 1.2797391469871484
Energy: 1.1009661058503046
Energy: 1.2110375221820353
Energy: 1.1009661058503046
Energy: 1.0657056749429585
Energy: 1.0766752859292175
Energy: 1.207511740599028
Energy: 1.0766752859292175
Energy: 1.0528859843761296
Energy: 1.0525411583100504
Energy: 1.3157591961843755
Energy: 1.0525411583108153
Energy: 1.0522389942508092
Energy: 1.0669429863060125
Energy: 1.0715741496446396
Energy: 1.0669429863060125
Energy: 1.204498851650275
Energy: 1.052349454035692
Energy: 1.2868744926086921
Energy: 1.0523494540341616
Energy: 1.2317177838261126
Energy: 1.1440949987994542
Energy: 1.2053159890706575
Energy: 1.1440949988009845
Energy: 1.2068564401443036
Energy: 1.0762801870729208
Energy: 1.1041996371753375
Energy: 1.0762801870744514
Energy: 1.3192412274416063
Energy: 1.054414446231712
Energy: 1.2061896847830142
Energy: 1.0544144462301817
Energy: 1.2114935535107836
Energy: 1.0552223374936036
Energy: 1.0587357210468205
Energy: 1.0552223374928384
Energy: 1.3129361370074144
Energy: 1.0845791450004374
Energy: 1.0554039490399898
Energy: 1.0845791450004374
Energy: 1.3513620658747252
Energy: 1.053438470194679
Energy: 1.0531148903850784
Energy: 1.053438470194679
Energy: 1.3477228528700769
Energy: 1.1090827180272942
Energy: 1.281166664516756
Energy: 1.1090827180280596
Energy: 1.052546980421824
Energy: 1.0518651876678267
Energy: 1.237728166112159
Energy: 1.0518651876670615
Energy: 1.0513824144164094
Energy: 1.0515583211825374
Energy: 1.2828334403365964
Energy: 1.0515583211833026
Energy: 1.0518713909872226
Energy: 1.0514106142909991
Energy: 1.2829859327442596
Energy: 1.0514106142909991
Energy: 1.1687526953811036
Energy: 1.0436781067968708
Energy: 1.3539786002694654
Energy: 1.0436781067953405
Energy: 1.209087685554256
Energy: 1.1008345437080196
Energy: 1.2804698902234495
Energy: 1.1008345437072544
Energy: 1.2097798946351899
Energy: 1.0548905286443397
Energy: 1.054199097937231
Energy: 1.0548905286443397
Energy: 1.3146337010299973
Energy: 1.054706771183344
Energy: 1.0545855215168425
Energy: 1.0547067711825786
Energy: 1.0686805879240469
Energy: 1.0588170993516555
Energy: 1.0604126607839621
Energy: 1.0588170993524206

minimum gb energy = 1.0433990116202092 eV
minimum distance =  2.27281003698249 Angstroms
sigma value = 1


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

Energy: 1.4295823825384895
Energy: 0.9913299739661374
Energy: 1.1826225110736805
Energy: 1.0152410624014612
Energy: 1.3298052871663653
Energy: 1.0002072729096538
Energy: 1.2113383030479383
Energy: 1.0002072729107119
Energy: 1.211050113566651
Energy: 1.103950453544855
Energy: 1.2101183065608963
Energy: 1.103950453544855
Energy: 1.0342386343179393
Energy: 1.014988374270261
Energy: 1.2141829867488947
Energy: 1.0149883742713188
Energy: 1.2147343576891425
Energy: 1.0028387656582047
Energy: 1.3696829830290254
Energy: 1.0028387656560886
Energy: 1.004011047634832
Energy: 1.0026014154603038
Energy: 1.3700462018320991
Energy: 1.0026014154592457
Energy: 1.0126661935395498
Energy: 1.0134896799890862
Energy: 1.3661343992032506
Energy: 1.0134896799890862
Energy: 1.0011301605275502
Energy: 1.00063299462239
Energy: 1.4058520496001454
Energy: 1.0006329946213322
Energy: 1.3681885188940275
Energy: 1.0674473465520884
Energy: 1.4089144324802678
Energy: 1.0674473465520884
Energy: 1.233426937564976
Energy: 1.0009002105656704
Energy: 1.0018482780786575
Energy: 1.0009002105635543
Energy: 1.366462999182867
Energy: 1.0136192134957327
Energy: 1.0119219454591637
Energy: 1.0136192134946749
Energy: 1.4132545749053589
Energy: 1.0022346344274788
Energy: 1.002773790548131
Energy: 1.0022346344253628
Energy: 1.4098881579770661
Energy: 1.0040511028416705
Energy: 1.2097211818154006
Energy: 1.0040511028395545
Energy: 1.3672902750782854
Energy: 1.0142878380896607
Energy: 1.214400964963771
Energy: 1.0142878380907188
Energy: 1.0339892636466386
Energy: 1.103551821893587
Energy: 1.211949340054261
Energy: 1.1035518218914708
Energy: 1.0114078729450335
Energy: 1.0012396175140386
Energy: 1.370182169243825
Energy: 1.0012396175150966
Energy: 1.015856789055686
Energy: 1.0133382351199782
Energy: 1.2181480180606854
Energy: 1.0133382351199782
Energy: 1.0009877392322981
Energy: 1.0005678137576488
Energy: 1.3707503868556827
Energy: 1.0005678137576488
Energy: 1.0126163758067346
Energy: 1.013116751138553
Energy: 1.4080433898113491
Energy: 1.0131167511374952
Energy: 1.0042843577096061
Energy: 1.07040199107165
Energy: 1.4060246703514432
Energy: 1.0704019910949258
Energy: 1.215300223522724
Energy: 1.069906851823215
Energy: 1.3664665372355784
Energy: 1.069906851823215
Energy: 1.2236666161884593
Energy: 1.0010761934878476
Energy: 1.0012970588516177
Energy: 1.0010761934878476
Energy: 1.3673419459506055
Energy: 1.014860512072824
Energy: 1.001537055781187
Energy: 1.014860512072824
Energy: 1.4099182284682692
Energy: 1.0133135734541592
Energy: 1.003298833034294
Energy: 1.0133135734541592

minimum gb energy = 0.9913299739661374 eV
minimum distance =  2.24644229875012 Angstroms
sigma value = 17


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

Energy: 1.5059094206972807
Energy: 0.9849738102521044
Energy: 1.2000670972408911
Energy: 1.006353824936403
Energy: 1.2083418196295013
Energy: 0.9937635003679142
Energy: 1.1295228317099417
Energy: 0.993763500369222
Energy: 1.2519390569415578
Energy: 0.9984715375471378
Energy: 1.1388543362888763
Energy: 0.9984715375484456
Energy: 1.2592786840325214
Energy: 1.0520338322913267
Energy: 1.135676749264177
Energy: 1.052033832290019
Energy: 1.2520768122460408
Energy: 0.9823083393178115
Energy: 1.3785244498272493
Energy: 0.9823083393184654
Energy: 0.9825242540726913
Energy: 0.9827919120264155
Energy: 1.468599821617318
Energy: 0.9827919120257615
Energy: 0.9820333558731043
Energy: 0.9826490716685126
Energy: 1.1145517111577063
Energy: 0.9826490716691665
Energy: 0.9839391528979198
Energy: 0.9829055364201589
Energy: 1.5019652998737807
Energy: 0.982905536419505
Energy: 1.3705744223956147
Energy: 0.9828158503827786
Energy: 1.4390424416185115
Energy: 0.9828158503827786
Energy: 1.1400414150807943
Energy: 1.0519061316551153
Energy: 1.13289492855779
Energy: 1.0519061316557692
Energy: 1.3709159585540196
Energy: 1.0004012774331348
Energy: 1.0135728734290002
Energy: 1.0004012774337887
Energy: 1.4684363959865485
Energy: 0.9958122122210836
Energy: 1.133959785907064
Energy: 0.9958122122210836
Energy: 1.4725127804432159
Energy: 0.9998858548109024
Energy: 1.000304705157899
Energy: 0.9998858548102485
Energy: 1.3529889277327984
Energy: 1.0003450872089092
Energy: 0.9997435774969602
Energy: 1.0003450872095634
Energy: 1.2573253208901822
Energy: 0.9998120323610903
Energy: 0.9945379543696786
Energy: 0.9998120323604364
Energy: 1.4949467419938167
Energy: 0.9989565017867695
Energy: 1.461472985304524
Energy: 0.9989565017854617
Energy: 0.9968601099095317
Energy: 1.0010805547582131
Energy: 1.3810893039722427
Energy: 1.0010805547582131
Energy: 0.999456058129826
Energy: 1.0005909539841449
Energy: 1.463685952242088
Energy: 1.0005909539834907
Energy: 0.9944729229991677
Energy: 0.994129532714042
Energy: 1.4373191851835854
Energy: 0.994129532714042
Energy: 1.1322957626233807
Energy: 1.0008987781403276
Energy: 1.5034702105147997
Energy: 1.0008987781403276
Energy: 1.131060112760495
Energy: 0.9997382591919495
Energy: 1.2266668415620177
Energy: 0.9997382591919495
Energy: 1.1327357954885229
Energy: 1.2269921287894618
Energy: 1.2535835669523974
Energy: 1.2269921287907697
Energy: 1.1394229048221185
Energy: 1.051096876241052
Energy: 1.2568345815940782
Energy: 1.051096876240398
Energy: 1.3805267933029177
Energy: 0.9820742230047226
Energy: 1.1231837893702223
Energy: 0.9820742230047226
Energy: 1.4661000965813047
Energy: 0.983483653691968
Energy: 0.9838762037654672
Energy: 0.983483653691968
Energy: 1.3216559742941691
Energy: 0.9822128446624746
Energy: 0.9814133658101145
Energy: 0.9822128446618208
Energy: 1.5039245888761652
Energy: 0.983676754986958
Energy: 0.9850060160860244
Energy: 0.9836767549882659
Energy: 1.4354574755873262
Energy: 0.9829098740743695
Energy: 1.371755978798051
Energy: 0.9829098740710999
Energy: 1.1318165467616363
Energy: 1.0453855308435323
Energy: 1.1389255282423507
Energy: 1.0453855308435323
Energy: 1.0140575049635094
Energy: 1.000366308590728
Energy: 1.3724674780245394
Energy: 1.0003663085913819
Energy: 1.1359615601017108
Energy: 1.0006384693188166
Energy: 1.4689258045579323
Energy: 1.0006384693181625
Energy: 1.0015099346129375
Energy: 1.0003193799570007
Energy: 1.469621608408637
Energy: 1.0003193799570007
Energy: 0.9992330440644437
Energy: 1.0001352385132707
Energy: 1.352659471690397
Energy: 1.0001352385132707
Energy: 0.9953483324676954
Energy: 0.9948929142684553
Energy: 1.2601953714095755
Energy: 0.9948929142671475
Energy: 1.462951124957003
Energy: 0.9997948378009649
Energy: 1.4924815444691522
Energy: 0.9997948378016189
Energy: 1.3832258292048956
Energy: 0.9948451923484719
Energy: 0.9959729796695319
Energy: 0.9948451923491257
Energy: 1.4623289792477727
Energy: 1.000240616232719
Energy: 0.9990804452608317
Energy: 1.0002406162320652
Energy: 1.4406371180197926
Energy: 0.9946079014478032
Energy: 0.9950329680922079
Energy: 0.9946079014471493

minimum gb energy = 0.9814133658101145 eV
minimum distance =  2.27415179168714 Angstroms
sigma value = 89


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

Energy: 1.94607365716761
Energy: 0.8989178163369943
Energy: 0.893327251806966
Energy: 0.8932873606826855
Energy: 1.5393085629587413
Energy: 0.9765886841868452
Energy: 0.897082836389171
Energy: 0.9765886841868452
Energy: 0.8941974802622432
Energy: 0.975731252629508
Energy: 0.8991865352491529
Energy: 0.975731252629508
Energy: 0.8893924760217843
Energy: 0.9763937891587032
Energy: 0.8927756363150153
Energy: 0.9763937891587032
Energy: 0.8909517466157095
Energy: 0.8912191809282258
Energy: 1.225586480605884
Energy: 0.8912191809282258
Energy: 0.8906496257258901
Energy: 0.8905334929740539
Energy: 1.2249047849457106
Energy: 0.890533492975765
Energy: 0.8899513549325831
Energy: 0.8896908984661982
Energy: 0.8943546237391043
Energy: 0.8896908984644872
Energy: 0.8923490959183127
Energy: 0.8921434770110425
Energy: 1.5355213097381561
Energy: 0.8921434770127535
Energy: 0.8973166777002273
Energy: 0.8916341944466898
Energy: 1.54072485442085
Energy: 0.8916341944449787
Energy: 1.2193839709780039
Energy: 0.9771283676633177
Energy: 0.892775842958305
Energy: 0.9771283676633177
Energy: 0.8967461639266792
Energy: 0.9778298060091286
Energy: 0.8878637539166913
Energy: 0.9778298060091286
Energy: 1.225395290479453
Energy: 0.8895352521480147
Energy: 0.8918224467521092
Energy: 0.8895352521480147
Energy: 1.2268325621524336
Energy: 0.8913122470453891
Energy: 0.8917626377022941
Energy: 0.8913122470471001
Energy: 0.8927189085002158
Energy: 0.8896102982795087
Energy: 0.8892045332940302
Energy: 0.8896102982777976
Energy: 1.5371592498396882
Energy: 0.8907157333808333
Energy: 0.8920626659909784
Energy: 0.8907157333808333

minimum gb energy = 0.8878637539166913 eV
minimum distance =  2.26340133875699 Angstroms
sigma value = 13


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

Energy: 1.4280072035113813
Energy: 0.812669567209161
Energy: 1.0675467192131016
Energy: 0.8215058984318498
Energy: 1.4147241636951937
Energy: 0.8186632457521161
Energy: 0.9848500880556305
Energy: 0.8186632457506818
Energy: 1.4148043049062413
Energy: 0.8165936165632286
Energy: 0.9795757703048918
Energy: 0.8165936165617943
Energy: 1.1563246395671483
Energy: 0.8190409945929981
Energy: 1.1334837860984894
Energy: 0.8190409945937152
Energy: 1.13500121111222
Energy: 0.8174286992394143
Energy: 1.2776379281093397
Energy: 0.8174286992379799
Energy: 0.9810916470183706
Energy: 0.8181901803456358
Energy: 1.2765392031908906
Energy: 0.8181901803470701
Energy: 0.9806406640104174
Energy: 0.8167291958720428
Energy: 1.13165965881243
Energy: 0.8167291958727599
Energy: 0.9826990826207299
Energy: 0.8174094264942868
Energy: 1.5626888231392781
Energy: 0.8174094264914183
Energy: 0.8211712246234112
Energy: 0.8208197249646377
Energy: 1.4020677294291106
Energy: 0.8208197249639206
Energy: 0.8153760366816382
Energy: 0.8161995489209648
Energy: 1.2804955759582342
Energy: 0.8161995489180961
Energy: 0.8178048221887217
Energy: 0.8209087265204135
Energy: 1.4259275875241015
Energy: 0.8209087265247164
Energy: 1.2762110277137984
Energy: 0.8679828192772112
Energy: 1.280585920800913
Energy: 0.8679828192757769
Energy: 1.2781986884331284
Energy: 0.8653880579910346
Energy: 1.274447097824378
Energy: 0.865388057993186
Energy: 1.2794947056630448
Energy: 0.8690134375641305
Energy: 1.1542110929210716
Energy: 0.8690134375641305
Energy: 1.5583548361480484
Energy: 0.8188233910642955
Energy: 1.133266575683702
Energy: 0.8188233910650126
Energy: 1.5569827004669672
Energy: 0.8175137777083855
Energy: 0.8214506407323996
Energy: 0.8175137777055169
Energy: 1.276989947708332
Energy: 0.816782213068464
Energy: 0.8166981331688983
Energy: 0.8167822130734839
Energy: 1.4246829819833753
Energy: 0.8193986854959557
Energy: 0.8175005258031047
Energy: 0.8193986854945214
Energy: 1.6912142845357327
Energy: 0.821279376195274
Energy: 0.9782147857266256
Energy: 0.821279376190971
Energy: 1.2815064902932827
Energy: 0.8162633364149425
Energy: 0.9880448732300953
Energy: 0.8162633364149425
Energy: 1.1608775559651994
Energy: 0.818102617517718
Energy: 0.9796779780582969
Energy: 0.8181026175170008
Energy: 1.2826063330650863
Energy: 0.816176989254687
Energy: 1.2768432225853088
Energy: 0.8161769892482328
Energy: 0.9842503371435166
Energy: 0.8195927867772673
Energy: 1.2782869917067075
Energy: 0.8195927867822872
Energy: 0.8215721398582736
Energy: 0.8159083929901011
Energy: 1.1332457095564763
Energy: 0.8159083929929698
Energy: 0.9805605275110018
Energy: 0.8173065073809895
Energy: 1.5589078092848316
Energy: 0.8173065073766869
Energy: 0.8160085455061107
Energy: 0.8160742744565668
Energy: 1.5576533258499905
Energy: 0.8160742744601526
Energy: 0.8154853190448385
Energy: 0.815689525737049
Energy: 1.2801497553643137
Energy: 0.8156895257327461
Energy: 0.8220344366776491
Energy: 0.8191049596452092
Energy: 1.423391622324312
Energy: 0.8191049596459266
Energy: 1.2743909971524798
Energy: 0.8164784797567314
Energy: 1.1493854857349972
Energy: 0.8164784797567314
Energy: 0.9899520175420283
Energy: 0.8685434125004114
Energy: 1.2747782732282507
Energy: 0.8685434125011284
Energy: 1.2762941994728632
Energy: 0.8710028847352767
Energy: 1.1578456640851167
Energy: 0.871002884731691
Energy: 1.556188142775905
Energy: 0.817453197168014
Energy: 1.1332642883347843
Energy: 0.8174531971701653
Energy: 1.5590658439548823
Energy: 0.8191656766825997
Energy: 0.8234000374987761
Energy: 0.819165676684751
Energy: 1.396136264778217
Energy: 0.8157745859957953
Energy: 0.8160867609591426
Energy: 0.8157745859979468
Energy: 1.695636249111334
Energy: 0.8173601275153369
Energy: 0.8179774148813527
Energy: 0.8173601275160541

minimum gb energy = 0.812669567209161 eV
minimum distance =  2.26756325994868 Angstroms
sigma value = 37


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

Energy: 1.403780478548571
Energy: 0.7176775574431151
Energy: 0.7185157301413522
Energy: 0.7165515028563508
Energy: 1.3960587973024299
Energy: 0.716316432443001
Energy: 1.000507110061069
Energy: 0.716316432443001
Energy: 1.3893372117305174
Energy: 0.7157276499923924
Energy: 0.9992068940790322
Energy: 0.7157276499936261
Energy: 1.3891964475876288
Energy: 0.8072917951317429
Energy: 1.1366021391049337
Energy: 0.8072917951305091
Energy: 1.2736676623786587
Energy: 0.7119961700917399
Energy: 1.144791673796292
Energy: 0.7119961700917399
Energy: 0.8646586604313597
Energy: 0.7121912641208602
Energy: 1.3824061083741896
Energy: 0.7121912641208602
Energy: 0.8640442278961572
Energy: 0.7113588829486474
Energy: 1.2655301730049915
Energy: 0.7113588829486474
Energy: 0.9950480615966779
Energy: 0.7095071926022755
Energy: 1.6297630105225458
Energy: 0.7095071926035093
Energy: 0.8540716340667299
Energy: 0.7090924674457576
Energy: 1.6323468439901527
Energy: 0.7090924674445237
Energy: 0.8539348085403018
Energy: 0.7071298423565473
Energy: 1.2635651614562509
Energy: 0.7071298423565473
Energy: 0.8512927187782034
Energy: 0.8536685039422602
Energy: 1.2752191330129965
Energy: 0.8536685039422602
Energy: 1.1319906566474418
Energy: 0.7072939191187356
Energy: 1.2624321661495197
Energy: 0.7072939191199693
Energy: 1.1332435741068958
Energy: 0.7071120604366611
Energy: 1.3890203210304066
Energy: 0.7071120604366611
Energy: 1.2734091449094829
Energy: 0.7968380844543032
Energy: 1.3891140869524694
Energy: 0.7968380844543032
Energy: 1.144791673796292
Energy: 0.7996700765997691
Energy: 1.2658156613168658
Energy: 0.7996700766010029
Energy: 1.3824061083741896
Energy: 0.7993437159757358
Energy: 0.8577390119913368
Energy: 0.7993437159757358
Energy: 1.273409252697487
Energy: 0.9873689477668739
Energy: 0.8637473056644547
Energy: 0.9873689477668739
Energy: 1.6297630105237797
Energy: 0.7205748693506632
Energy: 0.8588030664588144
Energy: 0.7205748693506632
Energy: 1.6323468439913864
Energy: 0.7184698151097249
Energy: 0.7154528255550089
Energy: 0.7184698151084911
Energy: 1.394880401334782
Energy: 0.7169041381914448
Energy: 0.7178454754395729
Energy: 0.7169041381902109

minimum gb energy = 0.7071120604366611 eV
minimum distance =  2.25911964213165 Angstroms
sigma value = 25


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

Energy: 1.479037805186528
Energy: 0.6169728126688471
Energy: 0.8833758912014398
Energy: 0.6102366713410027
Energy: 1.4770918130751287
Energy: 0.608233793897091
Energy: 0.8392440605432201
Energy: 0.6082337938980544
Energy: 1.4699581499316854
Energy: 0.6077526759118786
Energy: 0.8395770971667921
Energy: 0.6077526759118786
Energy: 1.0744586238534062
Energy: 0.6107591246877376
Energy: 1.0729357260805625
Energy: 0.6107591246877376
Energy: 1.4730210637282615
Energy: 0.9370408390787323
Energy: 1.2701009638426037
Energy: 0.9370408390787323
Energy: 1.0682808363250669
Energy: 0.675545450439436
Energy: 1.2691817552107112
Energy: 0.675545450439436
Energy: 1.0706358793914112
Energy: 0.9367474145327079
Energy: 1.473097882630298
Energy: 0.9367474145327079
Energy: 1.071127524794079
Energy: 0.6113022101604327
Energy: 1.2748923151648985
Energy: 0.6113022101613962
Energy: 0.8396707483251596
Energy: 0.6075411842277553
Energy: 1.667126544832632
Energy: 0.6075411842277553
Energy: 0.840124287989833
Energy: 0.6082192512404785
Energy: 1.4749635192744295
Energy: 0.6082192512395149
Energy: 0.6122329003524474
Energy: 0.6113671314518978
Energy: 1.277672213489477
Energy: 0.6113671314518978
Energy: 0.6092551563403219
Energy: 0.6085953032023993
Energy: 1.4750858744636501
Energy: 0.6085953032023993
Energy: 0.6086770678500337
Energy: 0.6089322563389314
Energy: 1.4755431648643307
Energy: 0.6089322563389314
Energy: 0.8417948290488829
Energy: 0.6120239112398465
Energy: 1.4772658532438128
Energy: 0.6120239112398465
Energy: 0.839576425798609
Energy: 0.6075608740194177
Energy: 1.473308002070949
Energy: 0.6075608740194177
Energy: 0.8405861579146775
Energy: 0.6081541941992549
Energy: 1.4720069438723065
Energy: 0.6081541941982915
Energy: 1.2696565289605493
Energy: 0.6088263674079097
Energy: 1.473811811186624
Energy: 0.6088263674079097
Energy: 0.8430477844754989
Energy: 0.6777723871768103
Energy: 1.2724919255734495
Energy: 0.6777723871768103
Energy: 1.2680429821663581
Energy: 0.6768506425785873
Energy: 1.06952886443468
Energy: 0.6768506425795506
Energy: 1.4751358754545183
Energy: 0.9362179761304433
Energy: 1.069641255007343
Energy: 0.9362179761304433
Energy: 1.27602983976922
Energy: 0.61130889725827
Energy: 0.8410204661533248
Energy: 0.6113088972573065
Energy: 1.4742006168931383
Energy: 0.6072607757635042
Energy: 0.6096738589962404
Energy: 0.6072607757625408
Energy: 1.6673824562691444
Energy: 0.6091099812834939
Energy: 0.8395216097858371
Energy: 0.6091099812834939
Energy: 1.2769394906562002
Energy: 0.6101216517758978
Energy: 0.6107386638981964
Energy: 0.6101216517749343
Energy: 1.4735889121242085
Energy: 0.607886105343542
Energy: 0.6086236821145027
Energy: 0.6078861053425786
Energy: 1.4729563970889608
Energy: 0.6094045146743936
Energy: 0.6086741966927235
Energy: 0.6094045146753571

minimum gb energy = 0.6072607757625408 eV
minimum distance =  2.27682199690016 Angstroms
sigma value = 41


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

Energy: 1.6142504509905813
Energy: 0.5495495509146543
Energy: 0.8342601737370825
Energy: 0.5491495523902734
Energy: 1.6113537449595106
Energy: 0.544736389069913
Energy: 0.7370023723266478
Energy: 0.5447363890691231
Energy: 1.6056905734478233
Energy: 0.5438389798706063
Energy: 0.7381770245005428
Energy: 0.5438389798706063
Energy: 1.272051327844205
Energy: 0.5458922728052984
Energy: 1.1016348874749677
Energy: 0.5458922728052984
Energy: 1.6068566387897893
Energy: 0.5419502264855294
Energy: 1.0998959093169902
Energy: 0.5419502264863192
Energy: 1.2655147205683266
Energy: 0.5991746177116872
Energy: 1.0969456750630084
Energy: 0.5991746177116872
Energy: 1.2694776998782524
Energy: 0.5981517764477899
Energy: 1.4351932213796132
Energy: 0.5981517764454203
Energy: 1.2685654537070603
Energy: 0.5999766958260369
Energy: 1.1027790681410496
Energy: 0.5999766958228773
Energy: 0.9308625877893322
Energy: 0.5425462833070104
Energy: 1.4344417458737073
Energy: 0.5425462833062205
Energy: 0.9304020255656962
Energy: 0.5421726257206269
Energy: 1.6083897596906307
Energy: 0.5421726257190471
Energy: 0.740587329922664
Energy: 0.5476651174298536
Energy: 1.4438755295991075
Energy: 0.5476651174314333
Energy: 0.7376586411162269
Energy: 0.5427976853255382
Energy: 1.6083859599431893
Energy: 0.542797685326328
Energy: 0.736860682560873
Energy: 0.545302048834793
Energy: 1.7719813957262727
Energy: 0.5453020488340031
Energy: 0.546996967063413
Energy: 0.547107055236517
Energy: 1.4429973311376658
Energy: 0.547107055237307
Energy: 0.5439636908816364
Energy: 0.5426617685933479
Energy: 1.6076147238756757
Energy: 0.5426617685941378
Energy: 0.5462919605992874
Energy: 0.5436771252732775
Energy: 1.6087511740169635
Energy: 0.5436771252740674
Energy: 0.7408311069408288
Energy: 0.5452233105990224
Energy: 1.6118187438746647
Energy: 0.545223310600602
Energy: 0.740341160243394
Energy: 0.5436058619253609
Energy: 1.6081180916950983
Energy: 0.5436058619253609
Energy: 0.7377092569546732
Energy: 0.5443672851293622
Energy: 1.26939175733387
Energy: 0.544367285130152
Energy: 1.097452240456981
Energy: 0.5432878253064571
Energy: 1.2684236302592702
Energy: 0.5432878253040875
Energy: 1.102330515752165
Energy: 0.5423565558762558
Energy: 1.435595486670507
Energy: 0.5423565558770457
Energy: 1.0977166979510153
Energy: 0.5998921961538745
Energy: 1.2696557715329506
Energy: 0.5998921961515049
Energy: 1.434826653191573
Energy: 0.5970456441407028
Energy: 1.2647402183602456
Energy: 0.597045644139123
Energy: 1.1026327342619888
Energy: 0.6001114970888802
Energy: 1.0980035381913076
Energy: 0.6001114970920397
Energy: 1.435660150597997
Energy: 0.5423190942075053
Energy: 0.9343841628814662
Energy: 0.5423190941886203
Energy: 1.4380455114923267
Energy: 0.5430468212905205
Energy: 1.0973035397925301
Energy: 0.5430468212913103
Energy: 1.4395415295842442
Energy: 0.5444864149912844
Energy: 0.7409400423215383
Energy: 0.5444864149920743
Energy: 1.607952015401531
Energy: 0.5415633772002458
Energy: 0.738102592182441
Energy: 0.5415633772002458
Energy: 1.4403708877700978
Energy: 0.5459321666269757
Energy: 0.7404052597118834
Energy: 0.545932166626186
Energy: 1.4396604212710777
Energy: 0.5437301147565089
Energy: 0.5461350920175176
Energy: 0.5437301147572987
Energy: 1.6074410296945456
Energy: 0.5425223819174428
Energy: 0.5422068519453312
Energy: 0.5425223819190226
Energy: 1.6131711651451006
Energy: 0.546620796637997
Energy: 0.5473802583370164
Energy: 0.5466207966395769

minimum gb energy = 0.5415633772002458 eV
minimum distance =  2.27884828199403 Angstroms
sigma value = 15


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

Energy: 1.4901037835430424
Energy: 0.5007448478658337
Energy: 0.8009686717220571
Energy: 0.5039528422587696
Energy: 1.708389218199743
Energy: 0.49719006210862254
Energy: 0.6686909093156889
Energy: 0.49719006210661515
Energy: 1.7713883121183813
Energy: 0.49758935848914476
Energy: 0.6654017009060474
Energy: 0.49758935848847563
Energy: 1.4886436406603698
Energy: 0.5006282911618369
Energy: 0.9778262620251332
Energy: 0.5006282911604987
Energy: 1.7045681839981346
Energy: 0.49606599766216025
Energy: 0.9758198309091877
Energy: 0.4960659976628294
Energy: 1.4820082943665895
Energy: 0.49659347784120056
Energy: 0.9734337963820833
Energy: 0.49659347783852403
Energy: 1.1926644024023891
Energy: 0.7761567869040386
Energy: 1.263549314719969
Energy: 0.776156786902031
Energy: 1.412253923711972
Energy: 0.7768512213930384
Energy: 1.0492861091260313
Energy: 0.7768512213950459
Energy: 1.1900791757100484
Energy: 0.5492020533447485
Energy: 1.262219346581942
Energy: 0.5492020533467559
Energy: 1.1898149547911436
Energy: 0.496576967046669
Energy: 1.553699204875276
Energy: 0.4965769668620491
Energy: 0.9791476037346121
Energy: 0.5006751406089857
Energy: 1.3429800906797733
Energy: 0.5006751406056399
Energy: 0.9036092219258568
Energy: 0.49757555260027264
Energy: 1.553410850249789
Energy: 0.4975755526049566
Energy: 0.9759698216984463
Energy: 0.4986181349890311
Energy: 1.6276084477040698
Energy: 0.4986181349917076
Energy: 0.659003861233353
Energy: 0.4994424493029766
Energy: 1.3412892371947838
Energy: 0.4994424493069914
Energy: 0.6600486955266487
Energy: 0.49674631479554043
Energy: 1.6345179866367379
Energy: 0.49674631479420217
Energy: 0.6538787133865902
Energy: 0.49680029233603784
Energy: 1.6313608775470079
Energy: 0.49680029233798445
Energy: 0.5812300080505922
Energy: 0.4973215962399266
Energy: 1.633043597497847
Energy: 0.49732159624059574
Energy: 0.5793495984138383
Energy: 0.49486786659591186
Energy: 1.7003641277150763
Energy: 0.49486786659658094
Energy: 0.5847946032835676
Energy: 0.4981618328678902
Energy: 1.4122764067543465
Energy: 0.4981618328665519
Energy: 0.7475590680110002
Energy: 0.49795049784113155
Energy: 1.7045146927573653
Energy: 0.4979504978418007
Energy: 0.75457063481153
Energy: 0.49512583590138803
Energy: 1.6985435865698186
Energy: 0.49512583590138803
Energy: 0.7480806282876702
Energy: 0.4984457350174386
Energy: 1.4873674805536634
Energy: 0.4984457350181078
Energy: 0.9617929537506567
Energy: 0.4976343055245944
Energy: 1.4815655714510254
Energy: 0.4976343055252635
Energy: 0.9716170212223532
Energy: 0.4967263039993826
Energy: 1.485872926773959
Energy: 0.4967263040000517
Energy: 0.9652952622868529
Energy: 0.7749366187401057
Energy: 1.1950345576343313
Energy: 0.7749366187454586
Energy: 1.2664476672292635
Energy: 0.7769940801301757
Energy: 1.4871869855366249
Energy: 0.7769940801295067
Energy: 1.046254305778014
Energy: 0.5477402810388826
Energy: 1.2615668452686395
Energy: 0.5477403019540902
Energy: 1.2687517016064873
Energy: 0.5506304005609315
Energy: 1.194415553816301
Energy: 0.5506304005642771
Energy: 1.3392551491233726
Energy: 0.6856168225617987
Energy: 1.2622968881313719
Energy: 0.6856168225617987
Energy: 1.3361328344385766
Energy: 0.49759389595402054
Energy: 0.9728410600566767
Energy: 0.4975938959580354
Energy: 1.6345662060997206
Energy: 0.495722872948571
Energy: 0.903739285483919
Energy: 0.49572287294790185
Energy: 1.3410887186819327
Energy: 0.49982185336631696
Energy: 0.9766552973535235
Energy: 0.49982185336631696
Energy: 1.6280277113950825
Energy: 0.49782386336324264
Energy: 0.6652103741030566
Energy: 0.49782386336591916
Energy: 1.7051360204648816
Energy: 0.4966556882518456
Energy: 0.6654406289250991
Energy: 0.4966556882505073
Energy: 1.636744854698972
Energy: 0.5018578708390837
Energy: 0.6053230924432301
Energy: 0.5018578708390837
Energy: 1.70968380258324
Energy: 0.4962496550697178
Energy: 0.4978294887350438
Energy: 0.4962496550697178
Energy: 1.772081806875001
Energy: 0.49708917507889405
Energy: 0.4986634912570142
Energy: 0.4970891750802323

minimum gb energy = 0.49486786659591186 eV
minimum distance =  2.27996461198446 Angstroms
sigma value = 85


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

Energy: 1.5043952737381545
Energy: 0.411879981634937
Energy: 0.4227068963733773
Energy: 0.42260757574690316
Energy: 1.7438246139607918
Energy: 0.42181639739646665
Energy: 0.574601829829744
Energy: 0.42181639739646665
Energy: 1.4971441340628895
Energy: 0.421544386017421
Energy: 0.5750360958757278
Energy: 0.42154438601800126
Energy: 1.232917897003604
Energy: 0.424789544255488
Energy: 0.8571452308083611
Energy: 0.4247895442549077
Energy: 1.6170813971431521
Energy: 0.4216600775376017
Energy: 0.8571908976465155
Energy: 0.4216600775370214
Energy: 1.2365683896554145
Energy: 0.4222930925717718
Energy: 0.8545093410961303
Energy: 0.4222930925706111
Energy: 1.237784608587307
Energy: 0.42285814906510405
Energy: 1.112903946761825
Energy: 0.42285814906452374
Energy: 1.3681632678995272
Energy: 0.4218558952657961
Energy: 0.8483784125266713
Energy: 0.4218558953069738
Energy: 1.2425119678816028
Energy: 0.9181165992285534
Energy: 1.111456704729575
Energy: 0.9181165992285534
Energy: 1.2416016768081275
Energy: 0.9178773810241135
Energy: 1.3655152602018519
Energy: 0.9178773810241135
Energy: 1.1144454425736003
Energy: 0.512077077866207
Energy: 1.1136876671200682
Energy: 0.5120770778644661
Energy: 0.9834457519660027
Energy: 0.4220622147391474
Energy: 1.3652217723593516
Energy: 0.42206221473682604
Energy: 1.1123350816146333
Energy: 0.4219715439654487
Energy: 1.368335029997421
Energy: 0.4219715442380767
Energy: 0.856340149645153
Energy: 0.4234141087312568
Energy: 1.102906288692477
Energy: 0.42341410873183705
Energy: 0.7215062245574941
Energy: 0.4216326674528959
Energy: 1.614757418323175
Energy: 0.4216326674546369
Energy: 0.8549795812674181
Energy: 0.42303270196654
Energy: 1.3670827491028976
Energy: 0.4230327019671204
Energy: 0.5761341418959288
Energy: 0.42328138880838767
Energy: 1.36845968678608
Energy: 0.4232813888089681
Energy: 0.5757691123344821
Energy: 0.4212815511306114
Energy: 1.7354546848288253
Energy: 0.4212815511306114
Energy: 0.5760858470748009
Energy: 0.424531943243398
Energy: 1.6287372343076936
Energy: 0.4245319432445587
Energy: 0.42341363887142996
Energy: 0.4236784615686
Energy: 1.6284905107160803
Energy: 0.4236784615680197
Energy: 0.4218605221729599
Energy: 0.42070037467504584
Energy: 1.7358028453101526
Energy: 0.4207003746744656
Energy: 0.42075686330899914
Energy: 0.4266537501680828
Energy: 1.4995183725209889
Energy: 0.4266537501680828
Energy: 0.5744426941977809
Energy: 0.42257291735712676
Energy: 1.7502846413662858
Energy: 0.42257291735654645
Energy: 0.5750531180280474
Energy: 0.4212430001652825
Energy: 1.7368073905309307
Energy: 0.4212430001652825
Energy: 0.5772295651590929
Energy: 0.42075273651181216
Energy: 1.2339130528088096
Energy: 0.42075273651123174
Energy: 0.85509499627621
Energy: 0.4220266903604796
Energy: 1.7411629188506261
Energy: 0.4220266903610599
Energy: 0.8563501379332227
Energy: 0.4216661840216801
Energy: 1.4935754275281283
Energy: 0.42166618401645706
Energy: 1.1143036941624793
Energy: 0.4240937195893957
Energy: 1.240987999490134
Energy: 0.42409371958997594
Energy: 1.1149711817552657
Energy: 0.4220545847920164
Energy: 1.487272286915188
Energy: 0.42205458479723945
Energy: 1.113088839891979
Energy: 0.9174044040979951
Energy: 1.239309051131827
Energy: 0.9174044040979951
Energy: 1.3662022889904608
Energy: 0.9179808515588442
Energy: 0.9746692058735732
Energy: 0.9179808515594247
Energy: 1.1111149762861485
Energy: 0.5123532914694043
Energy: 1.3671988618100952
Energy: 0.5123532914711454
Energy: 1.3663222769355234
Energy: 0.42187246003816037
Energy: 0.9804605687182555
Energy: 0.4218724600364193
Energy: 1.6144157141040694
Energy: 0.4217318361853397
Energy: 0.9814638292663695
Energy: 0.42173183617605425
Energy: 1.10468605027012
Energy: 0.42407767941461794
Energy: 0.97976577638959
Energy: 0.4240776794134573
Energy: 1.614165505540585
Energy: 0.42177475218945354
Energy: 0.856706992853591
Energy: 0.42177475218945354
Energy: 1.6213248680647727
Energy: 0.4221523750692803
Energy: 0.8547175951213165
Energy: 0.42215237506986064
Energy: 1.3713585589911759
Energy: 0.42469708260188427
Energy: 0.5774575506123507
Energy: 0.42469708260246464
Energy: 1.7361044751757144
Energy: 0.42106481879000635
Energy: 0.5761201547130723
Energy: 0.42106481879000635
Energy: 1.6269663544719417
Energy: 0.4233329308087871
Energy: 0.5748492147542263
Energy: 0.4233329308087871
Energy: 1.3625672096987678
Energy: 0.4260414600025365
Energy: 0.4247390204860298
Energy: 0.4260414600025365
Energy: 1.735936216591954
Energy: 0.4209333277428415
Energy: 0.42185798235436156
Energy: 0.4209333277445825
Energy: 1.4978640709299147
Energy: 0.42426982466621205
Energy: 0.4239415185283623
Energy: 0.4242698246650513

minimum gb energy = 0.411879981634937 eV
minimum distance =  2.27010748212747 Angstroms
sigma value = 113


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

Energy: 0.018641293601929437
Energy: 0.01948485209693751
Energy: 1.3723963466961038
Energy: 0.43740211986002475
Energy: 0.019825381341713674
Energy: 0.11370928297725716
Energy: 1.042403998254264
Energy: 0.11370928297770329
Energy: 0.028351337009227796
Energy: 0.11320396331896661
Energy: 1.0472119194914185
Energy: 0.11320396331896661
Energy: 0.02014659680432908
Energy: 0.11430234529618716
Energy: 1.0462226649981614
Energy: 0.11430234529618716
Energy: 1.0487622838555846
Energy: 0.11564600249275349
Energy: 1.044430219313714
Energy: 0.11564600249275349
Energy: 0.024931212067974017
Energy: 0.11337388721782962
Energy: 1.0420462903628758
Energy: 0.11337388721827574

minimum gb energy = 0.018641293601929437 eV
minimum distance =  2.50643024016787 Angstroms
sigma value = 1