Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
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=3.6583663821220402
cohesive_energy=4.00235933929048
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=[1.0231756332985438e-19, 1.94278336462206e-19, 2.53892124660078e-19, 3.08872418032422e-19, 3.63783817809504e-19, 4.1530501182904196e-19, 4.600457943334919e-19, 4.973733055524239e-19, 5.2764643305185395e-19, 5.51695104328194e-19, 5.70910008699756e-19, 5.864094654570719e-19, 5.989865520339719e-19, 6.09226062901866e-19, 6.17570198811738e-19, 6.243073515577079e-19, 6.29621771452686e-19, 6.336688696301699e-19, 6.36596046340488e-19, 6.38606778016158e-19, 6.39915756326136e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39375822800478e-19, 6.375269109648419e-19, 6.34737521445048e-19, 6.308922975234479e-19, 6.25996045729944e-19, 6.200631856542419e-19, 6.13082502059904e-19, 6.04858529397582e-19, 5.9496028215273e-19, 5.828286006800819e-19, 5.67553448651526e-19, 5.471305030979279e-19, 5.17938844826448e-19, 4.75208793997668e-19, 4.1415304682919595e-19, 3.32885841422814e-19, 2.31767667521172e-19, 1.152807744755484e-19, -8.66155914460008e-21, -1.542612513277782e-19, -3.4849584836787596e-19, -6.2096360892255e-19, -1.046235761591706e-18, -1.7620738620731997e-18, -2.9885080318675195e-18, -5.1356650479226195e-18]
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: 0.015071599612538605
Energy: 0.03524219647108446
Energy: -4.241596772417716
Energy: -4.401359566740138
Energy: 0.03524219647050605
Energy: -3.803465499678663
Energy: 0.03524219647050605
Energy: -3.850647855075095
Energy: -4.227997740608943
Energy: 0.03524219647169689
Energy: 0.015071599612538605
Energy: 0.03524219647108446
Energy: -4.401406320317728
Energy: -3.8656327626182794
Energy: 0.03524219647050605
Energy: -3.8172951156475947

minimum gb energy = -4.401406320317728 eV
minimum distance =  2.44675107420138 Angstroms
sigma value = 1


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

Energy: -4.601785209814881
Energy: -0.004735586728868356
Energy: -5.0760172918472
Energy: -0.0031108474264506317
Energy: -0.5146669915409325
Energy: 0.033501652093709755
Energy: -0.39940277083830994
Energy: 0.03350165208925325
Energy: -0.10327942121441759
Energy: -0.6349850194709717
Energy: 0.07980293173405795
Energy: -0.6349849096001081
Energy: -0.6420575956559039
Energy: 0.13400554809349238
Energy: -0.4524528087039391
Energy: 0.1340055481024054
Energy: 0.1398516401924869
Energy: 0.058674995525674664
Energy: -0.09963619733794404
Energy: 0.05867499738545501
Energy: 0.13979067543266246
Energy: -0.0625975661082584
Energy: -0.017684479035064832
Energy: -0.06944077403326804
Energy: -0.14827563577879113
Energy: 0.4248318471429611
Energy: 0.08721438669416183
Energy: 0.42483184714444666
Energy: 0.08662235086152273
Energy: 0.37896096873545154
Energy: 0.024067738055819497
Energy: 0.3789609689010175
Energy: -0.045556078979794044
Energy: 0.5990880907612641
Energy: -0.10903897685168673
Energy: 0.5990880907642351
Energy: -0.13564695244689268
Energy: -0.2626406315503863
Energy: -0.08567779868980767
Energy: -0.26484190030070587
Energy: -0.043915992992219335
Energy: 0.6163983767561907
Energy: -0.0849714762719165
Energy: 0.6163983767547052
Energy: -0.09916677392126451
Energy: -0.18052935885425364
Energy: -0.14579197685722908
Energy: -0.1805293416263527
Energy: -0.18607677186837285
Energy: -0.3934764762899669
Energy: 0.1628917641458588
Energy: -0.37721747134191136
Energy: 0.1584872059677141
Energy: -0.4267650453179613
Energy: 0.1988621973192849
Energy: -0.42676494319722896
Energy: 0.20543312562393853
Energy: 0.2168639088784714
Energy: -0.17965489902914938
Energy: 0.21686390848798706
Energy: 0.11406864589424179
Energy: 0.01539884712527
Energy: 0.10065711184933952
Energy: 0.01539884707624845
Energy: -0.09452218469416132
Energy: -0.5907655655366306
Energy: 0.1573469007789045
Energy: -0.5907655655336594
Energy: 0.16049443532373403
Energy: -0.5514990085341024
Energy: -5.084058188556908
Energy: -0.5514990097546444
Energy: 0.2075977528889319
Energy: -0.5886292235168925
Energy: -0.09889698251380892
Energy: -0.5886292235258055
Energy: 0.028319251671439397
Energy: -0.645145921978694
Energy: -0.5823918005497231
Energy: -0.6451459219801795
Energy: -0.1144177171946612
Energy: 0.025485284640770142
Energy: 0.13151034910911902
Energy: 0.025485329196429134
Energy: -0.042237647813666596
Energy: 0.2562024521783345
Energy: 0.13967634726309194
Energy: 0.25620245218353377
Energy: 0.08612271032272781
Energy: 0.4475104808528922
Energy: -0.31192129137445745
Energy: 0.44751048086997547
Energy: -0.09585550114568728
Energy: -0.4639868587485718
Energy: -0.30636657020274344
Energy: -0.46398685606697154
Energy: -0.09737152747206859
Energy: 0.5982356602727903
Energy: -0.059733830854577064
Energy: 0.5982356602765041
Energy: -0.1479322930253252
Energy: -0.2716224128800871
Energy: -0.13338615294042483
Energy: -0.2638122158614507
Energy: -0.0850967588607991
Energy: 0.6148921409861869
Energy: -0.05702987493641466
Energy: 0.6148921409847014
Energy: -0.14863713831354142
Energy: -0.20322222787477906
Energy: -0.036955025119649286
Energy: -0.20322363242987368
Energy: 0.16284135040398015
Energy: 0.4119044331707778
Energy: -0.18386714885302424
Energy: 0.41190443263768534
Energy: 0.22178957418342884
Energy: -0.129219570153549
Energy: 0.16070880293655063
Energy: -0.12944766055470572
Energy: -0.1834807600766593
Energy: 0.22314472650716388
Energy: 0.23910249296782338
Energy: 0.22314472639581878
Energy: 0.15268300094252035
Energy: 0.01103124078355752
Energy: 0.11207210746866557
Energy: 0.011031143270985866
Energy: 0.14795927014701768
Energy: -0.5638030994533154
Energy: -0.5613488168486148
Energy: -0.563803099454801

minimum gb energy = -5.084058188556908 eV
minimum distance =  2.29010100965365 Angstroms
sigma value = 1


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

Energy: -3.125999551254589
Energy: -0.29327092196214133
Energy: 0.1610478559249255
Energy: 0.16265274879653588
Energy: -0.15296098040242767
Energy: 0.1662051575728899
Energy: -0.10207281347065365
Energy: 0.16620515757543053
Energy: 0.001252620344860232
Energy: -0.17382213516019457
Energy: 0.4044017928075209
Energy: -0.17382213516104142
Energy: -0.28877079175182097
Energy: 0.1124680035049741
Energy: -0.1964870335940818
Energy: 0.11246799545062265
Energy: 0.14846335766849303
Energy: 0.32146679841945397
Energy: -3.737071679292922
Energy: 0.32146679842876946
Energy: -0.16832311183045479
Energy: 0.34803923459137875
Energy: 0.10312992527545345
Energy: 0.3480392358721099
Energy: 0.1414674244499138
Energy: 0.6377883800310854
Energy: 0.2060202677441128
Energy: 0.6377883800310854
Energy: 0.01902828008993967
Energy: 0.4912649711999411
Energy: 0.13079701039688138
Energy: 0.49126497120756285
Energy: 0.026198177244941036
Energy: 0.6778226688103516
Energy: 0.12659768973165642
Energy: 0.677822668807811
Energy: 0.012417813606775881
Energy: 0.6692246140465875
Energy: 0.08805306743452758
Energy: 0.6692246140516686
Energy: 0.28009637203718973
Energy: 0.5917204680021303
Energy: 0.1382304203259149
Energy: 0.591720467997896
Energy: 0.2642183397617434
Energy: 0.08917031582000436
Energy: 0.07961593613749397
Energy: 0.08917466861464207
Energy: 0.15101221965787945
Energy: 0.36631904764424683
Energy: 0.31519887445085304
Energy: 0.36631904698399914
Energy: -0.1862368384340987
Energy: 0.41518972531045656
Energy: 0.2039458488792267
Energy: 0.415189725307916
Energy: 0.23409367756891103
Energy: -0.29443146185543445
Energy: 0.07589154522430276
Energy: -0.29443146525918196
Energy: -0.32465328355201956
Energy: -0.3239366443412715
Energy: -0.22691882338889965
Energy: -0.3239366445148021
Energy: 0.09211026009116041
Energy: -0.2515812074610211
Energy: 0.28394152693614444
Energy: -0.2515812074855802
Energy: -0.034852421939891694
Energy: -0.3592368169995521
Energy: 0.12869218900052642
Energy: -0.35923681696567744
Energy: 0.2632645550827864
Energy: 0.37981946833926417
Energy: 0.204807554011878
Energy: 0.3798194685305404
Energy: -0.2862871872565836
Energy: 0.1584837005300559
Energy: 0.23843632848316387
Energy: 0.1584836986534005
Energy: 0.13514116313427993
Energy: 0.5830370093826795
Energy: 0.19307881352522857
Energy: 0.5830370093869138
Energy: 0.1405188404669185
Energy: -0.18522023633684162
Energy: 0.14092622007060446
Energy: -0.1849640859482001
Energy: 0.13747065166123096
Energy: 0.6650507911844619
Energy: 0.10625404120009366
Energy: 0.6650507911836151
Energy: 0.09529784090276379
Energy: 0.5751230282417699
Energy: 0.09167739483578792
Energy: 0.575123028234995
Energy: 0.27606360826035364
Energy: 0.6281589100324577
Energy: 0.04344915198724384
Energy: 0.6281589100324577
Energy: 0.28964054196323047
Energy: 0.20746104869083284
Energy: 0.059851969851377335
Energy: 0.20746104859432862
Energy: 0.16264185570331133
Energy: 0.37316970726320653
Energy: 0.3017603239704422
Energy: 0.37316970726490034
Energy: 0.22735673763474976
Energy: 0.378638311076884
Energy: 0.2078642901121993
Energy: 0.3786383110743435
Energy: 0.23564072169167943
Energy: -0.25021562087092697
Energy: 0.07150939636419276
Energy: -0.2502156208963329

minimum gb energy = -3.737071679292922 eV
minimum distance =  2.27812760797608 Angstroms
sigma value = 25


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

Energy: -2.3940094579163533
Energy: 0.009043616039475668
Energy: 0.2965707051059714
Energy: -0.12376971695492088
Energy: -2.2620443797833594
Energy: 0.25678149232204844
Energy: 0.2090619243171845
Energy: 0.25678149279731977
Energy: -0.035816331201830524
Energy: -0.030810277333630173
Energy: 0.5216443865051761
Energy: -0.030810277334614628
Energy: -2.330379868193652
Energy: 0.28743952599614747
Energy: 0.2655127578973349
Energy: 0.28743952593810895
Energy: 0.301198069104292
Energy: 0.48757019539312035
Energy: 0.3336862866187266
Energy: 0.4875701953665399
Energy: 0.21760001342822308
Energy: 0.38525014281326797
Energy: 0.248254510834952
Energy: 0.38525014281031456
Energy: 0.33434875385876683
Energy: 0.7028695722191968
Energy: 0.3522529622378812
Energy: 0.7028695722191968
Energy: 0.18345677615459474
Energy: 0.5866826056599725
Energy: 0.24732186075185966
Energy: 0.5866826056570191
Energy: 0.34262462943772787
Energy: 0.7407652459804739
Energy: 0.19907137007982417
Energy: 0.7407652459824428
Energy: 0.29014669261577664
Energy: 0.5723045562736718
Energy: 0.24945612648796622
Energy: 0.572304556256936
Energy: 0.3083148991141218
Energy: 0.46007310011794533
Energy: 0.35470762508328757
Energy: 0.46007310011597635
Energy: 0.3050564304460471
Energy: 0.4523283352197629
Energy: 0.19680243820599486
Energy: 0.4523283352237008
Energy: -0.035507767585512794
Energy: -0.030462291662767295
Energy: 0.3197360819156735
Energy: -0.030462291767075506
Energy: 0.2732453451774351
Energy: 0.12584060550769416
Energy: 0.13457367792863853
Energy: 0.1258406055067097
Energy: 0.2945399039646399
Energy: -0.0539756646854425
Energy: -0.019474860632756368
Energy: -0.053977136650813495
Energy: -2.641489611214796
Energy: -2.4049323567734486
Energy: -2.49857343187536
Energy: -2.601373692580926
Energy: 0.34039882676070005
Energy: 0.49213782072365936
Energy: 0.29517716669122557
Energy: 0.49213782073744183
Energy: 0.3630231206121162
Energy: 0.45594944787586994
Energy: 0.2170131043323834
Energy: 0.45594944775679475
Energy: 0.3516454245839298
Energy: 0.7437901938071823
Energy: 0.3287320525161229
Energy: 0.7437901938121046
Energy: 0.244205016049522
Energy: 0.6675186292918669
Energy: 0.33777996995489973
Energy: 0.6675186292948203
Energy: 0.20572643160695595
Energy: 0.7367299833743222
Energy: 0.34505888662719864
Energy: 0.7367299833733377
Energy: 0.1974400966460794
Energy: -2.8026072545426204
Energy: 0.25066883589313843
Energy: -2.893307227853013
Energy: 0.355690051561114
Energy: 0.5080863620416549
Energy: 0.30984023938772076
Energy: 0.5080863620485462
Energy: 0.26627271075343734
Energy: 0.5143350586799759
Energy: 0.3142051595470681
Energy: 0.5143350586819448
Energy: 0.3189893867374686
Energy: -0.03179754167698059
Energy: 0.0687125375204406
Energy: -0.03179754167796505

minimum gb energy = -2.893307227853013 eV
minimum distance =  2.27843812814388 Angstroms
sigma value = 9


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

Energy: 0.4919754998416252
Energy: 0.21916875843390007
Energy: 0.33508083728629334
Energy: 0.4527425442302932
Energy: -1.363460321651476
Energy: 0.4550612959946777
Energy: 0.44675017800453865
Energy: 0.45506129589138455
Energy: -1.3203368356953493
Energy: 0.12449572495999946
Energy: -1.477911143117278
Energy: -1.238803625987897
Energy: 0.20201817101204422
Energy: 0.6110311949240901
Energy: 0.37085388370089356
Energy: 0.6110311949252644
Energy: 0.5428352203113668
Energy: 0.655618600571585
Energy: 0.5030607237993068
Energy: 0.655618600571585
Energy: 0.2954656518112572
Energy: 0.6142101328568792
Energy: 0.3943165031008901
Energy: 0.614210132859228
Energy: 0.6039047252560648
Energy: 0.8441909825180177
Energy: 0.5134279501819545
Energy: 0.8441909825144945
Energy: 0.5198814201657741
Energy: 0.8070901632532583
Energy: 0.31860460615914193
Energy: 0.8070901632497353
Energy: 0.5123918888655673
Energy: 0.6480888822665573
Energy: 0.42407705958053393
Energy: 0.6480888822689059
Energy: 0.37775347619092087
Energy: 0.6615056877381369
Energy: 0.4303718851858397
Energy: 0.6615056877404857
Energy: 0.4459534713886918
Energy: -1.3925299858600202
Energy: -1.4650451855795856
Energy: -1.2662024905246267
Energy: 0.2944948047644417
Energy: -1.3454769624893708
Energy: 0.1406178744173288
Energy: -1.338178035485974
Energy: 0.2510864783151846
Energy: 0.19210651373754406
Energy: 0.28530622091403274
Energy: 0.19210650952451935
Energy: -1.3916080865344425
Energy: -1.288086246905914
Energy: 0.30571842161178925
Energy: -1.2844917330202972
Energy: 0.5416231768440546
Energy: 0.6862655146294262
Energy: 0.49864885868758446
Energy: 0.686265514631775
Energy: 0.38760440325130063
Energy: 0.6022041942125003
Energy: 0.4039147077067672
Energy: 0.6021527094329147
Energy: 0.6067400631215405
Energy: 0.8208602923383155
Energy: 0.5128753844161421
Energy: 0.820860292327746
Energy: 0.6054575993927028
Energy: 0.8287562795883711
Energy: 0.3247160492172689
Energy: 0.8287562795860489
Energy: 0.5138534674679734
Energy: 0.657018657087868
Energy: 0.4203086588796753
Energy: 0.657018657087868
Energy: 0.5367656921324794
Energy: 0.6271689188510469
Energy: 0.41701939443398434
Energy: 0.627168918322784
Energy: 0.44512805203576283
Energy: 0.20535082472180652
Energy: 0.25430692891315226
Energy: 0.20535082473117494

minimum gb energy = -1.477911143117278 eV
minimum distance =  2.29620981557057 Angstroms
sigma value = 25


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

Energy: 0.8731866549042547
Energy: 0.4240629885466058
Energy: 0.6059348666285638
Energy: -0.33853569646503945
Energy: 0.4334766540264382
Energy: 0.6374737833568327
Energy: 0.4517782932859858
Energy: 0.6374737833568327
Energy: 0.5040204851445549
Energy: 0.42426685921297935
Energy: 0.6386643404886416
Energy: 0.4242668592231459
Energy: 0.48445512361831067
Energy: 0.6460688173962952
Energy: 0.6550660401581201
Energy: 0.6460688173948429
Energy: 0.7601402081214678
Energy: 0.8122808401987456
Energy: 0.6838142593343268
Energy: 0.8122808401972932
Energy: 0.4958876258072546
Energy: 0.8148443146337959
Energy: 0.6422535566004068
Energy: 0.8148443146410578
Energy: 0.8265587292150797
Energy: 0.8060108300754528
Energy: 0.7459102620467382
Energy: 0.8060108300783575
Energy: 0.6572535138399755
Energy: 0.7865418347695472
Energy: 0.6012843151122201
Energy: 0.786541834788428
Energy: 0.47900566065523903
Energy: 0.4239767166094159
Energy: 0.3807802036162392
Energy: 0.4239767165658449
Energy: 0.4769286049082781
Energy: 0.42709838457941923
Energy: 0.39168603892027604
Energy: 0.42709839793957866
Energy: 0.6258426355603693
Energy: 0.6439268191289839
Energy: 0.5037391633794492
Energy: 0.643926819133308
Energy: 0.5309918509645043
Energy: 0.44787054776761026
Energy: 0.49883367759586306
Energy: 0.4478705569439396
Energy: 0.6462799958502986
Energy: 0.829446604843899
Energy: 0.7605569968188578
Energy: 0.8294466048453513
Energy: 0.5909888770846387
Energy: 0.8547330915177873
Energy: 0.4950686312804431
Energy: 0.8547330915192397
Energy: 0.7503051466990537
Energy: 0.8043971452453568
Energy: 0.6584227479500642
Energy: 0.8043971452453568
Energy: 0.6024891922902925
Energy: 0.8204699965492686
Energy: 0.6592823288965304
Energy: 0.8204699965492686
Energy: 0.3380718880933961
Energy: 0.42900140613650295
Energy: 0.4791034760464767
Energy: 0.4290014061394076

minimum gb energy = -0.33853569646503945 eV
minimum distance =  2.28871283904191 Angstroms
sigma value = 17


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

Energy: 0.784817929186392
Energy: -0.5313464378374132
Energy: -0.29399648158945346
Energy: -0.44111976214601933
Energy: -0.48034263231247903
Energy: 0.5238398710313651
Energy: -0.47791096018515167
Energy: 0.5238398710305425
Energy: 0.47637038316636743
Energy: 0.42445770638423014
Energy: 0.3703098536047489
Energy: 0.4244577063801548
Energy: 0.4872529858657881
Energy: 0.8341015662744955
Energy: 0.49852540812694174
Energy: 0.8341015662925916
Energy: -0.44052134719057207
Energy: 0.8661482324058732
Energy: 0.5116020981818997
Energy: 0.8661482324075184
Energy: 0.4922927536807326
Energy: 0.9825902429692027
Energy: 0.5130846319128625
Energy: 0.9825902429667351
Energy: 0.4324926669154566
Energy: 0.5135450724357432
Energy: 0.5371795689426327
Energy: 0.513545072432453
Energy: 0.4443561748838089
Energy: 0.5386779229425378
Energy: -0.1511387125665689
Energy: 0.5386779229417152
Energy: 0.2924820351082962
Energy: -0.2992255297524086
Energy: 0.43225747901537015
Energy: -0.29922552977050476
Energy: 0.4495077764932388
Energy: -0.2391022627299909
Energy: 0.4760447785975828
Energy: -0.23910226275713503
Energy: 0.5251807361058893
Energy: 0.8061927824852753
Energy: 0.5392918233202687
Energy: 0.8061927824869204
Energy: 0.4807318530576714
Energy: 0.06063630887386341
Energy: 0.5832603172194076
Energy: 0.061068237007870826
Energy: 0.5237244068525776
Energy: 0.8382453339752345
Energy: 0.6521404400419986
Energy: 0.8382453339735894
Energy: 0.39270622178730247
Energy: 0.7566490349148579
Energy: 0.5056922997871178
Energy: 0.7566490340375719
Energy: -0.35185984140777343
Energy: 0.3612438042270541
Energy: 0.4591360880787508
Energy: 0.36124380424593533
Energy: -0.3933993183091277
Energy: -0.2306444676949894
Energy: 0.4700506486980897
Energy: -0.23064446771308547
Energy: 0.4930218135307364
Energy: 0.5178589707528781
Energy: 0.17329893665214133
Energy: 0.5178589707660388
Energy: 0.42395844431535457
Energy: 0.5432450668460435
Energy: 0.5368855871282208
Energy: 0.543245066845221
Energy: 0.5124577377264317
Energy: 0.08386702759511269
Energy: 0.5035371761699584
Energy: 0.08667036620148394
Energy: 0.6933513333310167
Energy: 0.9255887566064915
Energy: 0.5257256795924982
Energy: 0.925588756607314
Energy: 0.5443167798133154
Energy: 0.487827860976037
Energy: 0.4780353909928501
Energy: 0.4878278610212772
Energy: 0.3744220124718618
Energy: -0.141016769128104
Energy: 0.3625496183477939
Energy: -0.1410165131222173
Energy: 0.47835836212192695
Energy: -0.23609933597767488
Energy: -0.17382102293988622
Energy: -0.23609933474355208
Energy: 0.4255104038920944
Energy: -0.2253530900828532
Energy: 0.48325776082719973
Energy: -0.2253530901675384
Energy: 0.4985275690737996
Energy: 0.8357678122993776
Energy: 0.45957002278247655
Energy: 0.8357678132366724
Energy: 0.5540127328906047
Energy: 0.7154030890606068
Energy: 0.5136265888785372
Energy: 0.7154030879227224
Energy: 0.5410887017319881
Energy: 0.9126924948784578
Energy: 0.49783925290233755
Energy: 0.9126924948792804
Energy: 0.5766491133707392
Energy: 0.8204196864010832
Energy: 0.2777121566185516
Energy: 0.8204196864010832
Energy: -0.40945149820918736
Energy: 0.8002286476872199
Energy: 0.5288963021999407
Energy: 0.8002286476896877
Energy: 0.4629823353660398
Energy: 0.3587418939573489
Energy: -0.26800179496408744
Energy: 0.3587418939441882

minimum gb energy = -0.5313464378374132 eV
minimum distance =  2.27026551364885 Angstroms
sigma value = 53


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

Energy: 1.2561931634003727
Energy: 0.6354314700158172
Energy: 0.7936596851594856
Energy: 0.7441269394768741
Energy: 0.6098077163275727
Energy: 0.6242825304996498
Energy: 0.6314126821238314
Energy: 0.6242825305015436
Energy: 0.6532664884521029
Energy: 0.6156927765268195
Energy: 0.7348260715128286
Energy: 0.6156927765268195
Energy: 0.6533734895865718
Energy: 0.745239973203494
Energy: 0.6105009320990259
Energy: 0.7452399732016005
Energy: 0.6253377764537614
Energy: 0.744601678319093
Energy: 0.7470568028742274
Energy: 0.7446016783134122
Energy: 0.6288585671730469
Energy: 0.7809548620226636
Energy: 0.7464839580198385
Energy: 0.780954862026451
Energy: 0.5806444551585468
Energy: 0.613177408186035
Energy: 0.6588422268752365
Energy: 0.6131774081973969
Energy: 0.6014173580564767
Energy: 0.5973805325283429
Energy: 0.617108627540786
Energy: 0.597380532505662
Energy: 0.6552586095296306
Energy: 0.6213212312779385
Energy: 0.7372131428420895
Energy: 0.6213212312798322
Energy: 0.6739300425354854
Energy: 0.6222617294735678
Energy: 0.6246105172554356
Energy: 0.6222617294735678
Energy: 0.6471853576134378
Energy: 0.7817076518826889
Energy: 0.7479193449898278
Energy: 0.7817076518826889
Energy: 0.6546695639916238
Energy: 0.7423126118088176
Energy: 0.8134919087689552
Energy: 0.7423126118126049
Energy: 0.5972363736004344
Energy: 0.6001481532187622
Energy: 0.6440320775724298
Energy: 0.6001481532262939

minimum gb energy = 0.5806444551585468 eV
minimum distance =  2.29119619287718 Angstroms
sigma value = 9


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

Energy: 0.3952882874891306
Energy: 0.2360320102241107
Energy: 0.5153120117306803
Energy: -0.3506302655948426
Energy: -0.5268828794200321
Energy: 1.1080495800133847
Energy: 0.46865213635403763
Energy: 1.1080495800112822
Energy: 0.5228055701286567
Energy: 0.529272355740183
Energy: -0.3674681485654543
Energy: 0.5292723557408838
Energy: -0.8019451295859447
Energy: 0.5295485040270606
Energy: 0.3885639717283262
Energy: 0.5295485040053973
Energy: -0.6787592179325472
Energy: -0.7191916667052473
Energy: -0.6612706926763304
Energy: -0.7192006191078507
Energy: -0.37138260349677765
Energy: 0.8670121512492402
Energy: -0.6089122985664871
Energy: 0.8670121512485394
Energy: 0.4769324864337858
Energy: -0.30439539492493345
Energy: -0.4672403220791405
Energy: -0.30439547705164344
Energy: 0.5713580673124071
Energy: 0.3176574263465193
Energy: 0.3104597348505319
Energy: 0.3176574263493228
Energy: 0.4930756883461331
Energy: 0.8250477767327065
Energy: 0.5039271403283991
Energy: 0.8250477775964986
Energy: 0.8050910258783445
Energy: 0.7788013501234223
Energy: -0.3736170780074001
Energy: 0.7788013299907
Energy: -0.827374572606317
Energy: -0.7264892719730064
Energy: 0.5631767090187965
Energy: -0.7264892696450301
Energy: 0.5110373393465132
Energy: 0.4912910857784781
Energy: 0.2940035485718346
Energy: 0.4912910857805808
Energy: 0.5032783260627394
Energy: -0.3937316259762918
Energy: -0.4750451264102432
Energy: -0.4004778560505683
Energy: 0.4525663191287131
Energy: -0.7342756484278656
Energy: -0.721558276889495
Energy: -0.7351151210804887
Energy: -0.6646653466222144
Energy: 0.7471437212683026
Energy: 0.4952479485117478
Energy: 0.7471437234743908
Energy: 0.46180658752029063
Energy: 0.957680186946506
Energy: 0.49427591149864897
Energy: 0.9576801869444035
Energy: -0.34806061890736223
Energy: 1.040122440229927
Energy: 0.4875492043695031
Energy: 1.0401224402285252
Energy: -0.6576470513320881
Energy: -0.6544168711417595
Energy: 0.5527312815539719
Energy: -0.6544168677819093
Energy: -0.4473599633201991
Energy: 0.9773537703752663
Energy: -0.2882918859021577
Energy: 0.9773537704852393
Energy: -0.16545752343571038
Energy: 0.5223922881395117
Energy: 0.5320199326978302
Energy: 0.5223922881346056
Energy: 0.4305936814224957
Energy: 0.5280144927623616
Energy: -0.6782572084975476
Energy: 0.5280144927630623
Energy: -0.6693575050850009
Energy: 0.7592250329512557
Energy: -0.7182717536431539
Energy: 0.7592250329477513
Energy: -0.6599313265594414
Energy: -0.5422541773411959
Energy: 0.48080541553464673
Energy: 0.03713299581294931
Energy: 0.37866522793986207
Energy: -0.3405052841616681
Energy: 0.48604992974856487
Energy: -0.3404976251866667
Energy: -0.5829009815724469
Energy: 0.27561261407624427
Energy: 0.5411860232299506
Energy: 0.27561261408325294
Energy: 0.5008541949480563
Energy: 0.834317934177309
Energy: 0.5300362342986128
Energy: 0.8343179409237063
Energy: -0.380598624083292
Energy: 0.8505341642261465
Energy: 0.7997816653193034
Energy: 0.8505341642296509
Energy: 0.5671461974042024
Energy: -0.8159885991185339
Energy: -0.8501415989623857
Energy: -0.8159836541573262
Energy: -0.1844473154742184
Energy: -0.6232645055977558
Energy: 0.4572776117873439
Energy: -0.6232645033629316
Energy: -0.4732499263739833
Energy: -0.8825523840233864
Energy: 0.4913877759999471
Energy: -0.8825523708290363
Energy: 0.5286633077425279
Energy: -0.6871661730930657
Energy: 0.43099079154011083
Energy: -0.6871662143658539
Energy: 0.5388944247427707
Energy: 0.7702268997854929
Energy: -0.5178382377151337
Energy: 0.7702268996411772
Energy: 0.4917956054336175
Energy: 0.975512773510444
Energy: 0.46556436674344465
Energy: 0.9755127734172281
Energy: 0.5447573282738691
Energy: 1.0355958621875005
Energy: 0.564724575364244
Energy: 1.0355958621860988
Energy: 0.5531169444152584
Energy: -0.6700922854940353
Energy: -0.6534103950622844
Energy: -0.6700922402427827

minimum gb energy = -0.8825523840233864 eV
minimum distance =  2.26396541111919 Angstroms
sigma value = 73


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

Energy: 0.5534980597005514
Energy: 0.27372992437430704
Energy: 0.23526243955832546
Energy: -0.2426704221826491
Energy: 0.38440726893767985
Energy: 0.5775838911969172
Energy: 0.25110188400707184
Energy: 0.5775837917535964
Energy: 0.5169806502770194
Energy: 0.5090747285646409
Energy: 0.510101567301861
Energy: 0.5090747286046725
Energy: 0.5103643641230841
Energy: 0.832926821345012
Energy: 0.21085663059802304
Energy: 0.8329268264912246
Energy: 0.49121211019801225
Energy: 0.79584148950478
Energy: 0.23673186240405364
Energy: 0.7958414894858761
Energy: 0.266901069227026
Energy: 0.7891055380397269
Energy: 0.23909167454707705
Energy: 0.7891055380397269
Energy: 0.44335764747929735
Energy: 0.3030921479864927
Energy: 0.3189480523298793
Energy: 0.3030922061455013
Energy: 0.5221896318547594
Energy: 0.32900641063156183
Energy: 0.5056260477204707
Energy: 0.3290064017006921
Energy: 0.2583567245211398
Energy: 0.739676044470223
Energy: 0.3077128897908818
Energy: 0.7396760441278817
Energy: 0.8470858807853747
Energy: 0.23560727678838372
Energy: 0.3068531407569231
Energy: 0.28930641470203805
Energy: 0.18979952471542222
Energy: 0.2262311144202881
Energy: 0.48499597606445255
Energy: 0.22623113752162197
Energy: 0.28909866086399566
Energy: 0.2361853195617285
Energy: 0.5769268249512096
Energy: 0.2361853010164188
Energy: 0.5580239238325755
Energy: 0.810257078340222
Energy: 0.25949940917365527
Energy: 0.8102570783424459
Energy: 0.5538940161393087
Energy: 0.49769832197831737
Energy: 0.4912241603455277
Energy: 0.49769592718897726
Energy: 0.27462198609621613
Energy: 0.8135958786273759
Energy: 0.508532176969984
Energy: 0.8135958785818097
Energy: 0.22075021130904485
Energy: 0.818704862884308
Energy: 0.510812913460628
Energy: 0.8187048628887307
Energy: 0.33431833310760906
Energy: 0.7993201908519644
Energy: 0.4378260872942997
Energy: 0.799320190739704
Energy: 0.2975162775562438
Energy: 0.2826013730046285
Energy: 0.4052203693133465
Energy: 0.28260136489627735
Energy: 0.5097532537270097
Energy: 0.7878116307953157
Energy: 0.5349034436425434
Energy: 0.7878116310809707
Energy: 0.2532360049157273
Energy: 0.5257424805555817
Energy: 0.3101292693892427
Energy: 0.5257424805555817
Energy: 0.5250429999561582
Energy: 0.18031207556663592
Energy: 0.5433117694751729
Energy: 0.1803120846464617
Energy: 0.5777468457102418
Energy: 0.28992964077053224
Energy: 0.29390277586099434
Energy: 0.2899296408950246

minimum gb energy = -0.2426704221826491 eV
minimum distance =  2.24452409171513 Angstroms
sigma value = 7


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

Energy: -0.2284051120247571
Energy: -0.31492875514916147
Energy: -0.3110005033615808
Energy: -0.14669071870970715
Energy: -0.5409802533160033
Energy: 0.3694342693667772
Energy: -0.47944638283750496
Energy: 0.36942038241336866
Energy: -0.20965909752105188
Energy: -0.4552991183404131
Energy: -0.21304340678073636
Energy: -0.45529846245479333
Energy: -0.3488585338559628
Energy: -0.3496322955359903
Energy: -0.3556048445955564
Energy: -0.34963221121573634
Energy: -0.2524181224355964
Energy: -0.4090320495600197
Energy: 0.47785455481473443
Energy: -0.4090339847423754
Energy: -0.6241238537005028
Energy: 0.721333692600841
Energy: 0.48030878237784086
Energy: 0.721333692600841
Energy: 0.032278360494578835
Energy: -0.1827206125807927
Energy: -0.5075485055158837
Energy: -0.18273217851036486
Energy: -0.27727481756859346
Energy: -0.6017042486084362
Energy: -0.3006632450223923
Energy: -0.6039730733284719
Energy: -0.35576389515789175
Energy: -0.6335059883876556
Energy: -0.6798166912181879
Energy: -0.6335054243729067
Energy: -0.3389519972673102
Energy: 0.8826227684090701
Energy: -0.6093237597273136
Energy: 0.8826227684035658
Energy: -0.5958083927539569
Energy: -0.29444414330425467
Energy: -0.3877027234446067
Energy: -0.29444415054049616
Energy: -0.27957076329392505
Energy: -0.37673551876749517
Energy: 0.5652184796012795
Energy: -0.37673551875573646
Energy: -0.2512243631782776
Energy: 0.6911915685995808
Energy: -0.6607364864039075
Energy: 0.6911915685995808
Energy: -0.3291722400591904
Energy: -0.2548912361141742
Energy: -0.6248228879240353
Energy: -0.25489123690404375
Energy: -0.517179485142592
Energy: 0.7370398071247956
Energy: -0.6210135928183342
Energy: 0.7370398070564235
Energy: -0.1764107033858874
Energy: -0.39212613023911014
Energy: -0.26256996461544274
Energy: -0.39212613022888826
Energy: -0.17865562673531524
Energy: -0.4819308566550446
Energy: -0.45594110183918346
Energy: -0.4819308567878571
Energy: -0.25925726050611286
Energy: 0.92817740805275
Energy: -0.11531724540652721
Energy: 0.9281774080511773
Energy: -0.1659448995758306
Energy: -0.5389303246642939
Energy: -0.49174105758891573
Energy: -0.538930324132222
Energy: -0.5908146494914579
Energy: -0.37635158344861186
Energy: -0.4288591776060983
Energy: -0.3763533543147274
Energy: -0.610082373477631
Energy: 0.778175830258071
Energy: 0.47372510131315776
Energy: 0.7781758302549259
Energy: -0.05944849104603357
Energy: 0.6851134583427742
Energy: -0.5126502178057297
Energy: 0.6851134579466599
Energy: -0.061019354226626236
Energy: -0.29548800308187445
Energy: -0.14700802918164496
Energy: -0.29548892394224335
Energy: -0.36375618425762657
Energy: -0.29605039910833
Energy: -0.13919747169085003
Energy: -0.2960503990006432
Energy: -0.2863358957863447
Energy: -0.46706306183747837
Energy: -0.6243021558850455
Energy: -0.4670630820913062
Energy: -0.3510999501162661
Energy: -0.08664989630192244
Energy: -0.6223105163831951
Energy: -0.08519885346240515
Energy: -0.4498523336519172
Energy: -0.4946908801019863
Energy: 0.010806285275064817
Energy: -0.49469067744490647
Energy: -0.5832815123787025
Energy: 0.1635826315522898
Energy: -0.5541097727267902
Energy: 0.16359057360176843
Energy: -0.29620426058225413
Energy: -0.5147060773557668
Energy: -0.34599069124543075
Energy: -0.5147061061945116
Energy: -0.6308324216380847
Energy: 0.783370650078128
Energy: -0.622944350719149
Energy: 0.7833706500741966
Energy: 4.722700515990277e-05
Energy: -0.2828914267168515
Energy: -0.5720114988482135
Energy: -0.2828914267168515

minimum gb energy = -0.6798166912181879 eV
minimum distance =  2.25405198759214 Angstroms
sigma value = 29


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

Energy: 0.8902689099508945
Energy: -0.30569868540619544
Energy: -0.39109488617282595
Energy: 0.33887321733297626
Energy: -0.08274512629747535
Energy: -0.31481521914697413
Energy: -0.422877351267646
Energy: -0.31481502563817904
Energy: -0.345036454230406
Energy: -0.3541272592222863
Energy: 0.7211908669732677
Energy: -0.3541235518949797
Energy: 0.5425742800883182
Energy: -0.03032336147054589
Energy: -0.5330994736509769
Energy: -0.030323360930619353
Energy: -0.012855171863619294
Energy: -0.36630308426818226
Energy: 0.5354363936871444
Energy: -0.3185910872418139
Energy: -0.0321782874103309
Energy: -0.2636185555581309
Energy: 0.5394088118238581
Energy: -0.2636184231738162
Energy: 0.720851125093066
Energy: -0.27523389972998685
Energy: -0.5193770288244545
Energy: -0.2752337466657735
Energy: -0.40390060280786055
Energy: -0.3340805280693187
Energy: 0.5486326411114453
Energy: -0.33409451272330476
Energy: 0.5471016069096883
Energy: -0.34032721716281206
Energy: -0.39331864979356973
Energy: -0.3403253662821298

minimum gb energy = -0.5330994736509769 eV
minimum distance =  2.27140087234892 Angstroms
sigma value = 5


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

Energy: 0.09894952895621094
Energy: -0.33247757663418576
Energy: -0.758498435615845
Energy: -0.20989414861307273
Energy: -0.46728375341425477
Energy: -1.3170235846004892
Energy: -0.5538803249877379
Energy: -1.33313131147653
Energy: -0.6955186732307427
Energy: -0.06217595164954156
Energy: -0.41825593304243597
Energy: -0.044220088902499406
Energy: -0.4496912956490803
Energy: 0.22059882385747695
Energy: -0.8290593124076203
Energy: 0.22059866935674674
Energy: -0.6894322713569974
Energy: -0.17195454652909048
Energy: -0.32083030728161693
Energy: -0.17195453836842053
Energy: -0.19038887343002409
Energy: -0.9898044590487046
Energy: 0.30808408727748826
Energy: -0.9701560122579804
Energy: -0.24858274489005333
Energy: -0.49606026667562186
Energy: -0.6730841394397802
Energy: -0.4858323845742619
Energy: -0.5070635061251968
Energy: -0.05734310201522774
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Energy: -0.3630462533354318
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Energy: -0.31689389922403616
Energy: -0.4940096564381309
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Energy: -0.5561491144696371
Energy: -0.3832167523371186
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Energy: -0.5712829549807243
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Energy: -0.3827013301155889
Energy: -0.06543268920000846
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Energy: -0.0874948538303842
Energy: -0.9755625415942486
Energy: -0.0874933029908681
Energy: -0.6042221699387018
Energy: -0.5175791968712328
Energy: -0.3571732914121122
Energy: -0.517591384238752
Energy: -0.3009466519124539
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Energy: -0.8979899711797742
Energy: 0.4316550703935504
Energy: -0.1704345660375872
Energy: -0.9853043407440185
Energy: -1.0900367809984615
Energy: -0.9853028718522596
Energy: -0.6290686818319451
Energy: -0.721746012443225
Energy: -0.8389315595982217
Energy: -0.721760747605016
Energy: -0.17288887791949648
Energy: -0.29344171880064257
Energy: -0.3365540018163688
Energy: -0.293448284036863
Energy: -0.5999510835408843
Energy: -0.8564901675103215
Energy: -0.31122318466893906
Energy: -0.8595227846503412
Energy: -0.7347246061724025
Energy: -0.7195606633517869
Energy: -0.13142778695780646
Energy: -0.7195602018161301
Energy: -0.9146245023927921
Energy: -1.075257783700452
Energy: -0.48460444636798705
Energy: -1.0770737103246564
Energy: -0.9676185400904201
Energy: -0.780318683647049
Energy: -0.7673980670839626
Energy: -0.7803186741336949
Energy: -0.24862548772972853
Energy: -0.9553697241579625
Energy: -0.20219548909422538
Energy: -0.9513606248790449
Energy: -0.4909291395667569
Energy: 0.2598299192725894
Energy: -0.4963184348842428
Energy: 0.2598299205896215
Energy: -0.39319226870650625
Energy: 0.021694393057193128
Energy: -1.3623650614173826
Energy: 0.021761255274808447
Energy: -0.37432065928830677
Energy: -0.5002804150450124
Energy: 0.4008572815319608
Energy: -0.5002824694991083
Energy: -0.22096312257186873
Energy: -1.321084009975786
Energy: -1.4678910713566118
Energy: -1.316342957741089

minimum gb energy = -1.4678910713566118 eV
minimum distance =  2.24024884655259 Angstroms
sigma value = 1


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

Energy: 0.37945040230523563
Energy: -0.31475691402302197
Energy: -0.39556891182337256
Energy: -0.178300429340812
Energy: -0.3330599572303233
Energy: -0.23548189345306514
Energy: -0.06077046108697646
Energy: -0.23088509588644696
Energy: -0.1487423181635129
Energy: 0.310242468326523
Energy: -0.38189084054403105
Energy: 0.3094814492864839
Energy: -0.02851044751059556
Energy: -0.03589906673726013
Energy: -0.2359322786494267
Energy: -0.042367959990797344
Energy: -0.170568157629211
Energy: -0.3254083127720896
Energy: 0.1167574090727211
Energy: -0.3253983678515381
Energy: -0.29379360473999677
Energy: -0.28766095922288776
Energy: 0.07821931741777305
Energy: -0.2876609629091249
Energy: -0.28130330116639846
Energy: -0.24360503317215698
Energy: -0.26671233861608773
Energy: -0.24360503308080278
Energy: -0.5147569107751071
Energy: 0.3574937341220684
Energy: 0.06641280108852343
Energy: 0.35749329160154286
Energy: -0.1412630476859604
Energy: -0.052404098205930144
Energy: 0.33986645482138683
Energy: -0.039232284575127105
Energy: 0.11764587661894554
Energy: 0.5198812375966458
Energy: -0.44733518624304913
Energy: 0.5198812427456704
Energy: -0.12639862147994455
Energy: -0.26822337509535604
Energy: -0.5662750687254955
Energy: -0.26822337516103584
Energy: 0.40226238807832887
Energy: -0.26379374702577474
Energy: -0.2814811740160695
Energy: -0.26379374626716623
Energy: 0.8135635409114964
Energy: -0.29533351562004473
Energy: -0.28343318644526305
Energy: -0.2953334938721931
Energy: -0.10133454088107831
Energy: 0.6157212213267084
Energy: -0.26767224032142045
Energy: 0.6157212213246543
Energy: -0.09275248539793637
Energy: -0.18251791257646574
Energy: -0.06700845717510522
Energy: -0.1825179120047202
Energy: -0.18341948236972672
Energy: 0.008249857576164364
Energy: -0.2961525586039782
Energy: 0.008250134342428656
Energy: -0.3390209466707644
Energy: -0.40995451502455355
Energy: 0.10827117550004836
Energy: -0.40995727718895336
Energy: -0.4593434614525841
Energy: -0.34233113486694977
Energy: 0.029440987084850073
Energy: -0.3423311240258638
Energy: -0.34317111870688466
Energy: -0.33907790044894437
Energy: 0.18212231359271117
Energy: -0.3388157587967125
Energy: -0.33521369398289835
Energy: 0.36144662445463516
Energy: 0.10506863398695458
Energy: 0.3614466257706116
Energy: 0.21297550132671758
Energy: 0.061901149987907834
Energy: -0.16566830346154182
Energy: 0.06190114352393386
Energy: 0.27923565080187024
Energy: -0.29315306761551924
Energy: -0.28513705272126594
Energy: -0.29315306750983405
Energy: -0.0218709321662986
Energy: -0.27521264226554193
Energy: -0.29777177650725895
Energy: -0.275212642264515
Energy: 0.8243469782626254
Energy: -0.5748047424001593
Energy: -0.6367515827615139
Energy: -0.5503692524480839

minimum gb energy = -0.6367515827615139 eV
minimum distance =  2.20980475328129 Angstroms
sigma value = 17


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

Energy: -0.3308804877347605
Energy: -1.3569835415260247
Energy: -1.265870670597703
Energy: -1.1146586794143383
Energy: -1.1748110965647016
Energy: 0.601022006180349
Energy: -1.0976132850463551
Energy: 0.6010220061790794
Energy: -0.8339921218870975
Energy: 0.4764658242647571
Energy: -0.9224559624048871
Energy: 0.47646577223936143
Energy: -0.39303037912145894
Energy: -0.625305458607576
Energy: -1.008758343612977
Energy: -0.625743784600082
Energy: -0.4851474753350243
Energy: -1.3172549389903236
Energy: -0.37480936539595855
Energy: -1.3172510157319859
Energy: -1.2977387618270178
Energy: -1.2915881074676503
Energy: -0.3283105997672001
Energy: -1.2915859334565287
Energy: -1.1720827852878386
Energy: -1.2978865175780023
Energy: -1.2404121818435836
Energy: -1.2978865142926939
Energy: -1.284150796748704
Energy: -1.2148637271901799
Energy: -0.5257817659715752
Energy: -1.3176413444630906
Energy: -0.6973704545405686
Energy: -0.6975154054897778
Energy: -0.7289068166418963
Energy: -0.6972457833452478
Energy: -0.6997684574449942
Energy: -0.9216410536907221
Energy: -0.8546467455965666
Energy: -0.9233545742229489
Energy: -0.9120608978123453
Energy: -1.2800500377891915
Energy: -1.0497980149386585
Energy: -1.2842608580848935
Energy: -0.5195876337292421
Energy: -1.0936022301214836
Energy: -0.9214911599399433
Energy: -1.0936153300305524
Energy: -0.23895455559181228
Energy: -1.1434465535033664
Energy: -1.098649001289968
Energy: -1.1438383146452407
Energy: -0.9640059714642091
Energy: -0.9672452433637294
Energy: -1.2379191993590706
Energy: -0.9621982929488423
Energy: -0.2239101185390427
Energy: -1.1499677525357739
Energy: -1.1358616364412537
Energy: -1.1492955033977883
Energy: -0.6890175537014775
Energy: -0.4259753793570436
Energy: -1.1234812514059807
Energy: -0.42597515418637566
Energy: -0.9832065794607152
Energy: -1.160806932455438
Energy: -0.5037244030558619
Energy: -1.1645603296406084
Energy: -1.056087839280626
Energy: -0.9868770467663137
Energy: -0.8726605154483154
Energy: -0.9868761572541986
Energy: -0.9989733615378982
Energy: -1.003400722016989
Energy: -0.4156875794399697
Energy: -1.0034007223279027
Energy: -1.1271769228845323
Energy: -1.287348878710103
Energy: -0.07080760513665461
Energy: -1.28732264506263
Energy: -0.9123300037993267
Energy: -1.184427955485211
Energy: -1.236884888760424
Energy: -1.2264916499253409
Energy: -0.7460606522447197
Energy: -0.6877288477270179
Energy: -0.9032745835484549
Energy: -0.6864421448004
Energy: -0.948288840363988
Energy: -1.16045878842187
Energy: -0.36785116775621585
Energy: -1.1124210094317597
Energy: -0.382704287387407
Energy: -1.2892462719985736
Energy: -1.1062860412294644
Energy: -1.2897054255582265
Energy: -0.32169451170885865
Energy: -1.3016594004307136
Energy: -1.29250802991704
Energy: -1.3017203442336032
Energy: -1.2625785948124688
Energy: -1.2526846021971894
Energy: -1.2701487855119593
Energy: -1.2526846553354223
Energy: -0.8161231684571396
Energy: -1.1980667530241573
Energy: -1.2454121874959274
Energy: -1.198066359824615
Energy: -0.8621422468529173
Energy: -0.8423505486581547
Energy: -0.6555411658157998
Energy: -1.0210383749866594
Energy: -0.8279435094949964
Energy: -0.9705426402774084
Energy: -0.5219428429584182
Energy: -0.8051298028046043
Energy: -0.8822137202851733
Energy: -0.9836614161430889
Energy: -0.2633479710810365
Energy: -1.03230936831659
Energy: -0.9291244357921136
Energy: -1.228691651722158
Energy: 0.016843265220847243
Energy: -1.228716764288191
Energy: -1.2308720791339103
Energy: -1.1450631398641324
Energy: -0.10935873565614265
Energy: -1.1512558986077577
Energy: -1.1404539427985705
Energy: -1.1185489677621274
Energy: -1.059537004925562
Energy: -1.1185489685095202
Energy: -1.1002634337320258
Energy: -0.1648055627705772
Energy: -0.2318204041427251
Energy: -0.1648083783037753
Energy: -0.8983152352844759
Energy: -0.4918834693495778
Energy: -0.6899095299298411
Energy: -0.49188830608403433
Energy: -0.4754880811507368
Energy: -1.1910944044880656
Energy: -1.18199233158389
Energy: -1.1882551468930724
Energy: -0.9458278911228654
Energy: -1.0682511882723436
Energy: -1.24863914612465
Energy: -1.0682511891961401
Energy: -0.39876551554718764
Energy: -1.1412457559407605
Energy: -1.0906853825335845
Energy: -1.14124496735524

minimum gb energy = -1.3569835415260247 eV
minimum distance =  2.19312761157596 Angstroms
sigma value = 89


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

Energy: -0.23383061553212822
Energy: -1.005757722878934
Energy: -0.9468186816883778
Energy: -0.5927050602524695
Energy: -0.7474791029203859
Energy: -0.8281145462504219
Energy: -0.9588461925145998
Energy: -0.8280802083051935
Energy: -0.6941078072593573
Energy: -0.8491967320213747
Energy: -0.932106184218756
Energy: -0.837470273550718
Energy: -0.6350690255858908
Energy: -0.797889203317893
Energy: -1.0370671132846836
Energy: -0.7978892049614086
Energy: -0.5961715839293299
Energy: -0.8951980188488438
Energy: -0.2698979773700332
Energy: -0.8941763504907382
Energy: -0.9907032506172457
Energy: -0.8859048632041852
Energy: -0.2789865650775228
Energy: -0.8947370716932155
Energy: -0.8372795625031761
Energy: -1.0239279615502728
Energy: -0.9631501249542578
Energy: -1.0266841301684915
Energy: -1.0378791333049744
Energy: -1.0226906889896452
Energy: -0.5461639321845397
Energy: -0.9905938042263389
Energy: -0.9500577603646566
Energy: -0.964145412880395
Energy: -0.678745330716752
Energy: -0.9344075934608926
Energy: -1.086864569264297
Energy: -0.9249311677555594
Energy: -0.6610733810408171
Energy: -0.9487341685297596
Energy: -1.0266521890163502
Energy: -0.7719025576656666
Energy: -0.6658442720198241
Energy: -0.7719021067084519
Energy: -0.3203060753271437
Energy: -0.9387665790258551
Energy: -0.5759607880867713
Energy: -0.938752935027981
Energy: -0.2607028619947013
Energy: -0.9038916682182587
Energy: -0.8440548075448676
Energy: -0.9045346895754435
Energy: -0.9613264402799625
Energy: -1.0135582235206329
Energy: -0.9103638201172043
Energy: -1.0085261335440552
Energy: -0.68467273720286
Energy: -0.9390822347317638
Energy: -1.080452749726941
Energy: -0.8972437606819001

minimum gb energy = -1.086864569264297 eV
minimum distance =  2.23687677105382 Angstroms
sigma value = 13


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

Energy: -0.7719927908214717
Energy: -1.5947560017681464
Energy: -1.7297120906657846
Energy: -1.0448100612424527
Energy: -1.25229184868339
Energy: -0.8964306014108379
Energy: -1.578595860414061
Energy: -0.8964306001083346
Energy: -1.596486631021728
Energy: -0.37137303234693475
Energy: -0.7247939103278037
Energy: -0.3072082080161955
Energy: -0.2830218918695644
Energy: -1.506928098596006
Energy: -1.6421122391571186
Energy: -1.487111833987399
Energy: -1.5827993001393845
Energy: -1.4141102013583662
Energy: -1.387023403556248
Energy: -1.4079320741645978
Energy: -0.8501473689533914
Energy: -1.4608610059541407
Energy: -1.361258811432726
Energy: -1.4610109322825202
Energy: -0.7898302611485035
Energy: 0.546697493342906
Energy: -1.5006158497177582
Energy: 0.5466974933422097
Energy: -0.9696221746190965
Energy: -1.763469063473191
Energy: -1.085629934250865
Energy: -1.7634693478955434
Energy: -1.753696549277614
Energy: -1.5332676259702083
Energy: -1.073291418252465
Energy: -1.5332676506839757
Energy: -1.7956327817862963
Energy: -1.5687075124111618
Energy: -1.504311801542566
Energy: -1.5687075103655188
Energy: -1.6226684269153968
Energy: -1.5865115345646268
Energy: -0.9148141854673845
Energy: -1.586511502246258
Energy: -1.0099274499142992
Energy: -1.73013646725138
Energy: -1.6134052651556445
Energy: -1.7299427383172619
Energy: -1.5165469812208252
Energy: -1.3485005219366588
Energy: -1.6036654871382447
Energy: -1.3577920504997951
Energy: -1.6090389500494517
Energy: -1.220861541607575
Energy: -0.7017965318771672
Energy: -1.0342199619332129
Energy: -1.2736185790269763
Energy: -1.7657188008163491
Energy: -1.3287479082184654
Energy: -1.7657187947530832
Energy: -1.3238510031293922
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Energy: -1.7821231773697401
Energy: -1.6344872027405233
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Energy: -1.0258188284274519
Energy: -1.642255558394809
Energy: -1.025818827241074
Energy: -0.9747007473507246
Energy: -1.6356934726347567
Energy: -1.660396362393678
Energy: -1.6447528967409355
Energy: -1.1124479012070425
Energy: -1.634413692628305
Energy: -1.6453562261820567
Energy: -1.6398923733216184
Energy: -1.5208216641972059
Energy: 0.49699735885083784
Energy: -0.5673694696784618
Energy: 0.4969973588299542
Energy: -0.5458266622991647
Energy: -1.7001307094515634
Energy: -1.6465327305356408
Energy: -1.6956341118404936
Energy: -1.5915921622834546
Energy: -1.6058266995816606
Energy: -1.3546773646529813
Energy: -1.60585559322285
Energy: -1.5660335818932383
Energy: -1.1473633638724532
Energy: -0.4848038830499939
Energy: -1.1328370618810464
Energy: -1.591152981905984
Energy: -1.7260675524125493
Energy: -1.5201209775479538
Energy: -1.7180522761433699
Energy: -0.9198455261119368
Energy: -1.7449518495842604
Energy: -1.1382223611296396
Energy: -1.7462869145760889
Energy: -1.734794359346151
Energy: -1.717194258600909
Energy: -1.063109991257848
Energy: -1.7141735334579136
Energy: -1.695441546081929
Energy: -0.7351374697208923
Energy: -1.5053226297912647
Energy: -0.7351375732755931
Energy: -1.7852881706948935
Energy: -1.7002736197210284
Energy: -1.1875193692860233
Energy: -1.6989504528361965
Energy: -1.181949690125521
Energy: -1.7798427280303468
Energy: -1.2695459967282958
Energy: -1.779842636681535
Energy: -0.8280296030818136
Energy: -1.2435267544522082
Energy: -1.452209372135533
Energy: -1.2427190983433107
Energy: -1.4590659602773302
Energy: -1.1705241346383857
Energy: -0.3363441722334186
Energy: -1.667007613142283
Energy: -1.3307928871316883
Energy: -1.7378237332524176
Energy: -1.458766612790132
Energy: -1.6769812140351623
Energy: -1.269889403568334
Energy: -1.7685023889108293
Energy: -1.7928271403610279
Energy: -1.7685023816451748
Energy: -1.2426540061883518
Energy: -1.3558311123654938
Energy: -1.1510887737334314
Energy: -1.3558309715876913
Energy: -1.0690627795290226
Energy: -1.8316847464085406
Energy: -1.7787327232068824
Energy: -1.83168403766903

minimum gb energy = -1.8316847464085406 eV
minimum distance =  2.20395904840737 Angstroms
sigma value = 37


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

Energy: 0.06193010158162594
Energy: -0.6741534000138708
Energy: -0.8802499224632262
Energy: -0.3916296707135388
Energy: -0.5545307885987478
Energy: -0.7350060266957311
Energy: -0.5797679185329431
Energy: -0.7350292329523886
Energy: -0.48643649198331906
Energy: -0.6606924610801048
Energy: -0.5393226331371559
Energy: -0.6789290953231336
Energy: -0.5495033830296279
Energy: -0.8203989974492679
Energy: -0.6277412461911256
Energy: -0.7871197787423551
Energy: -0.7119326459604609
Energy: -0.6693012517000937
Energy: -0.45029841925350866
Energy: -0.6694262758333426
Energy: -0.7513341644882419
Energy: 0.29968466199797905
Energy: -0.48320169642067967
Energy: 0.2996814386264555
Energy: -0.20414357136556174
Energy: 0.41693285307235795
Energy: -0.5770512970161008
Energy: 0.4169328531034968
Energy: -0.11541557383274237
Energy: -0.2926898598216032
Energy: -0.17405647363197715
Energy: -0.298364385673934
Energy: -0.4986960340883635
Energy: -0.0408692061465324
Energy: -0.1313107371066993
Energy: -0.04086778752357195
Energy: -0.7932868555273636
Energy: -0.7016574572523064
Energy: -0.6660810214668951
Energy: -0.5965536890347247
Energy: -0.8057296163561007
Energy: -0.13677888953479964
Energy: 0.18590253874892
Energy: -0.1367850990988606
Energy: -0.3941668931997006
Energy: -0.9195130108040159
Energy: -0.6128043623370911
Energy: -0.9245699308125133
Energy: -0.6132801762500047
Energy: -1.0173762618909485
Energy: -0.5358120146973164
Energy: -1.0185195889598615
Energy: -0.4923172810063004
Energy: -0.0315580927066415
Energy: -0.5819050197290788
Energy: -0.04711840837969838
Energy: -0.43558530949787927
Energy: -0.4290510127369493
Energy: -0.5246514496920858
Energy: -0.42905936430042996
Energy: -0.4805732685101406
Energy: 0.3194437433112049
Energy: -0.5908074962659137
Energy: 0.31944360995226995
Energy: -0.6202056017298885
Energy: -0.8301539716708765
Energy: -0.7473177074413695
Energy: -0.8280709385460792
Energy: -0.20191471602354374
Energy: -0.8920653001220642
Energy: -0.8932361722732663
Energy: -0.8921018089164255
Energy: -0.1424552005414112
Energy: -0.41785688419812406
Energy: -0.5965954042263638
Energy: -0.38968711362846953
Energy: -0.27044926505000777
Energy: -0.30281311736968664
Energy: -0.5385587851893016
Energy: -0.3075851953730391

minimum gb energy = -1.0185195889598615 eV
minimum distance =  2.24319628843861 Angstroms
sigma value = 25


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

Energy: -0.44733376368447453
Energy: -1.3763025243720965
Energy: -1.322173587719118
Energy: -0.9394050825999898
Energy: -0.6752698817513939
Energy: -1.1971303229482506
Energy: -1.2743532124093802
Energy: -1.1971313059951336
Energy: -0.8458455308835507
Energy: -1.3154385184593531
Energy: -1.361511940275139
Energy: -1.3154381746419008
Energy: -0.7763063965848066
Energy: -1.4362661600099578
Energy: -0.8526060069391859
Energy: -1.4438901228181544
Energy: -0.8610103575779129
Energy: 0.663661102107593
Energy: -0.8510802243434328
Energy: 0.6636611021066579
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Energy: -1.4724833147829595
Energy: -0.9834688663501405
Energy: -1.4695918179405587
Energy: -1.0211028659271435
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Energy: -0.68315755468681
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Energy: -0.6083996251880199
Energy: -0.5115212703084937
Energy: -0.9947651006350949
Energy: -1.741460457477744
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Energy: -1.8290514824456632
Energy: -0.9191606100230251
Energy: 0.18209403919018347
Energy: -0.8938548551917113
Energy: 0.18209403918550746
Energy: -1.3426752879800818
Energy: -0.38212816630096613
Energy: -0.3415606672142451
Energy: -0.3826692000005204
Energy: -1.144266042671862
Energy: -0.7923546178470482
Energy: -0.851935149758523
Energy: -0.787876944665842
Energy: -1.14726162112326
Energy: -0.8061851516742998
Energy: -1.0824542597624491
Energy: -0.8072951318606317
Energy: -0.6971671956353162
Energy: -0.4753195103220643
Energy: -0.813267780602683
Energy: -0.4753195104847479
Energy: -1.178507394012124
Energy: 0.4300106010934424
Energy: -0.9756302325451156
Energy: 0.4300106012233512
Energy: -1.1815066402750753
Energy: 0.37362992936969974
Energy: -0.8183877915037363
Energy: 0.37362992948281726
Energy: -0.9115995894654966
Energy: -1.106295256185454
Energy: -1.0238840107290985
Energy: -1.1130239550490464
Energy: -1.015971106746244
Energy: -1.167789799003018
Energy: -0.8083191360418713
Energy: -1.2012101005890927
Energy: -0.86076664242439
Energy: -1.1265850538556645
Energy: -1.1577365138120332
Energy: -1.2653823916852727
Energy: -0.8907963758308624
Energy: -0.06139455363114386
Energy: -1.0209520979330369
Energy: -0.061396274861817056
Energy: -0.7726885309380562
Energy: -0.6518089579319071
Energy: -1.0280088841016632
Energy: -0.6523814210015364
Energy: -0.8470286227450321
Energy: -1.6561909843009262
Energy: -1.8320133944305326
Energy: -1.656189918342653
Energy: -0.5628805189984463
Energy: -1.4998694990461625
Energy: -0.907935257077167
Energy: -1.5120656161970014
Energy: -0.5662466300431417
Energy: -1.4560835398419718
Energy: -1.3961897112185278
Energy: -1.4560835405673525
Energy: -0.7351176054789561
Energy: -1.0430791801869106
Energy: -1.1815425124777956
Energy: -1.0430791701547304
Energy: -0.23074512732076338
Energy: -0.6177479603655759
Energy: -1.5348598291917597
Energy: -0.6177479613424423

minimum gb energy = -1.8320133944305326 eV
minimum distance =  2.25950278361928 Angstroms
sigma value = 41


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

Energy: -0.9411016870794678
Energy: -1.7401113394721357
Energy: -2.141636340025151
Energy: -2.0100761730002703
Energy: -1.3875416080369867
Energy: -1.711412393217648
Energy: -1.7350418968114394
Energy: -1.6307375831013364
Energy: -1.2691216747006968
Energy: -2.169038013740613
Energy: -1.9943221918722205
Energy: -2.155593490350621
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Energy: -0.5108221607391454
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Energy: -1.684288904529532
Energy: -1.834695345682495
Energy: -1.8088809713642806
Energy: -1.3562392220208033
Energy: -1.9650695978362365
Energy: -1.73522894672473
Energy: -1.7347528172339948
Energy: -1.6734729576331737
Energy: 0.5905318774778208
Energy: -1.3893359611752025
Energy: 0.5905318774801208
Energy: -1.5373719898138158
Energy: -0.5655661162577781
Energy: -1.5782997601786302
Energy: -0.5618336319908589
Energy: -1.8166238553948937
Energy: -0.5209753519218844
Energy: -1.6031778672018815
Energy: -0.5208451589408678
Energy: -1.9542536075805919
Energy: 0.2020757405034806
Energy: -1.479006200619767
Energy: 0.20207574051958163
Energy: -1.4974035984255272
Energy: -1.8265956459963073
Energy: -1.1580375291116483
Energy: -1.8236723647187678
Energy: -2.0286442099643143
Energy: 0.43904487633671097
Energy: -1.1943740218389027
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Energy: -2.149052631387294
Energy: -1.1794715446644475
Energy: -2.149052822428009
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Energy: -1.779740740824973
Energy: -2.095155876960838
Energy: -2.214876594758878
Energy: -1.4450361415823856
Energy: -2.214876595057793
Energy: -1.0101989967479938
Energy: -1.8497265342758265
Energy: -0.8864933703903028
Energy: -1.8497265343716311
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Energy: -1.8002988055883167
Energy: -1.049580886384431
Energy: -1.7975857720102728
Energy: -2.1216887613319577
Energy: -2.204381050223006
Energy: -1.3775960750215621
Energy: -2.2103396485317206
Energy: -1.9210116631810066
Energy: 0.296730811989196
Energy: -1.0739108850860966
Energy: 0.2967308119815288
Energy: -1.841431691602872
Energy: 0.06014435178716155
Energy: -1.0621738995252488
Energy: 0.06014436623719019
Energy: -1.0246975129945985
Energy: -0.17496320728241987
Energy: -1.4582389182661328
Energy: -0.1702165725421058
Energy: -1.6447698580105867
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Energy: -1.67212038141557
Energy: 0.5975845988619832
Energy: -1.5347377371090851
Energy: -1.4614265622792155
Energy: -1.589066542005217
Energy: -1.9063715135479888
Energy: -1.5476622830704672
Energy: -1.634006761823374
Energy: -1.6019066382284144
Energy: -1.647472388956378
Energy: -1.6175484584336277
Energy: -1.7698890371443479
Energy: -1.7654370757689744
Energy: -1.771007788088524
Energy: -1.286142520512125
Energy: -0.6043873532403329
Energy: -1.7436015370158153
Energy: -0.6043873647865269
Energy: -1.2706264223136527
Energy: -0.4167410114500946
Energy: -1.70304392339332
Energy: -0.4167410085501285
Energy: -1.2830818187389896
Energy: -0.1757414235170425
Energy: -1.798363139745373
Energy: -0.1757414243707814
Energy: -0.8860074188477854
Energy: -1.7917788688500331
Energy: -1.732789208563755
Energy: -1.7917760383675816
Energy: -1.3465932634855968
Energy: -1.7325207396221736
Energy: -2.0166592010265263
Energy: -1.7325207400130251
Energy: -1.281112216459048
Energy: -2.3990335073803233
Energy: -2.3753754355187917
Energy: -2.4177960935544114
Energy: -1.6269385734484016
Energy: -2.0658767506695845
Energy: -1.6401203656293875
Energy: -2.0658767342170314

minimum gb energy = -2.4177960935544114 eV
minimum distance =  2.23647191476361 Angstroms
sigma value = 15


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

Energy: -1.666268235724895
Energy: -1.9109268166980484
Energy: -2.3870098371333457
Energy: -2.3374395730779627
Energy: -1.9634512415197893
Energy: -2.810936470750615
Energy: -2.2651227096040585
Energy: -2.809434496327377
Energy: -1.4501115517808238
Energy: -2.7381353164857583
Energy: -2.527373239292256
Energy: -2.7381356688121863
Energy: -1.756684370948857
Energy: -2.423733857026513
Energy: -2.192512987459081
Energy: -2.423734694064864
Energy: -1.6308511392738183
Energy: -2.1154548925853156
Energy: -1.8315300259940588
Energy: -2.1309394287650467
Energy: -1.8016206461659805
Energy: -2.3290818253871763
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Energy: -2.3575377781851468
Energy: -1.85753601405307
Energy: 0.3901451417878893
Energy: -2.1639070371102807
Energy: 0.39014514179178633
Energy: -1.8380672373571996
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Energy: -2.0140889065023635
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Energy: -1.808674979684353
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Energy: -1.5177887086010564
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Energy: -2.6336627479747436
Energy: -1.7886029066055935
Energy: -2.633656186218331
Energy: -2.3111924420752437
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Energy: -1.5947889020016848
Energy: -2.699198260977077
Energy: -1.9071995760872469
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Energy: -1.6211393967021441
Energy: -2.7177156406092697
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Energy: -1.0179483418722433
Energy: -1.8816843208509575
Energy: -1.0321760457469291
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Energy: -1.881995539660614
Energy: 0.49843178611347033
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Energy: -1.8584554878012955
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Energy: -2.1463163862340835
Energy: -2.6178985538482364
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Energy: -0.9559940334892614
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Energy: -1.961131409802551
Energy: -2.5798271266424453
Energy: -1.7500288669626336
Energy: -2.4611654759753447
Energy: -1.6382401868283683
Energy: -2.4611666611669785
Energy: -1.579240853056385
Energy: -2.746636039869936
Energy: -2.3724509418619877
Energy: -2.7453538932868287
Energy: -1.3726143881755986
Energy: -2.4353519152397882
Energy: -1.5797991077414721
Energy: -2.4353519163467414
Energy: -1.5037563366440911
Energy: -2.7400851073514096
Energy: -2.168010187527839
Energy: -2.732387920662234
Energy: -1.4020368414716002
Energy: -2.566376584201558
Energy: -2.6453496398599223
Energy: -2.5657450840713985

minimum gb energy = -2.8118439648199707 eV
minimum distance =  2.2313470309279 Angstroms
sigma value = 85


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

Energy: -0.27566452690270915
Energy: -1.5779784444965883
Energy: -1.0548477946905228
Energy: -0.9871680010618751
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Energy: -1.0592876654924341
Energy: -1.2202043234246076
Energy: -0.6418760966060713
Energy: -0.9988177904166131
Energy: -0.5758569797873184
Energy: -1.0345144364739889
Energy: -0.7550168529345594
Energy: -0.9947542648592803
Energy: -1.207203207659045
Energy: -0.9931610740415594
Energy: -0.5577854891340309
Energy: -0.9504541807816086
Energy: -1.0975360677909265
Energy: -0.9273135343531074
Energy: -0.470967270831279
Energy: -1.6361850724652245
Energy: -1.2301540272647966
Energy: -1.6361854229085322
Energy: -0.44345783486092805
Energy: -0.7521114268897514
Energy: -1.3591550331853661
Energy: -0.7521110264452335
Energy: -0.24362186984489742
Energy: -1.5825077552140678
Energy: -1.2474329197079035
Energy: -1.5825076324222034
Energy: -0.3642757278879207
Energy: -1.5450860027658404
Energy: -1.5979604444526625
Energy: -1.5450860037681016
Energy: -0.3242709964124436
Energy: -1.2416571562313945
Energy: -1.229903100805043
Energy: -1.241657156201564
Energy: -0.9010991853027865
Energy: -1.5271965350078338
Energy: -1.6032621825156186
Energy: -1.5271965356379151

minimum gb energy = -1.6740356122013729 eV
minimum distance =  2.24580515380039 Angstroms
sigma value = 113


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

Energy: 0.01705156851433748
Energy: 0.2522669790006866
Energy: 1.2469069366230583
Energy: 0.017697066014671265
Energy: -3.602760246876329
Energy: -4.439114520612542
Energy: -3.25737884709671
Energy: -2.74228633738391
Energy: -1.836940172922347
Energy: -3.120300928710958
Energy: -2.897796116048036
Energy: -2.251967886134069
Energy: 0.018190752992676636
Energy: -1.4459113759316864
Energy: -2.9017955754246207
Energy: -1.4459157898814252
Energy: -3.3482840032365337
Energy: -2.4452097443437038
Energy: -2.44926952606451
Energy: -3.943954199904195
Energy: -1.820740798174184
Energy: -2.1508959749724372
Energy: -2.1545796451976016
Energy: -2.1508872562947787

minimum gb energy = -4.439114520612542 eV
minimum distance =  2.41178534632919 Angstroms
sigma value = 1