Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999995827675
cohesive_energy=4.450349977830043
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.020533058154954268
Energy: 0.48563555021894195
Energy: 0.48563555021741733
Energy: 0.020533058159528033
Energy: 0.4856355502158928
Energy: 0.4856355502204665
Energy: 0.020533058156478858
Energy: 0.48563555021894195
Energy: 0.48563555021741733
Energy: 0.020533058156478858
Energy: 0.4822651939580123
Energy: 0.024123426537672632
Energy: 0.48250593934008257
Energy: 0.4822651939580123
Energy: 0.02412342653919722
Energy: 0.482505939338558
Energy: 0.4822651939580123
Energy: 0.02412342653919722
Energy: 0.48250593934008257
Energy: 0.4822651939580123
Energy: 1.4382124398903444
Energy: 0.020823996763859955
Energy: 0.02082399675928619
Energy: 1.4336507475135443
Energy: 0.020823996763859955
Energy: 0.020823996763859955
Energy: 0.896698508301933
Energy: 0.24576616109137683
Energy: 0.020823996762335366
Energy: 0.7776539077840918
Energy: 0.4822651939580123
Energy: 0.48250593934008257
Energy: 0.0241234265422464
Energy: 0.4822651939595369
Energy: 0.48250593934008257
Energy: 0.02412342654072181
Energy: 0.4822651939580123
Energy: 0.48250593934008257
Energy: 0.0241234265422464
Energy: 0.4822651939595369
Energy: 0.020533058156478858
Energy: 0.48563555021894195
Energy: 0.48563555022199106
Energy: 0.020533058159528033
Energy: 0.48563555021894195
Energy: 0.48563555021894195
Energy: 0.020533058156478858
Energy: 0.48563555021894195
Energy: 0.48563555021894195
Energy: 0.020533058154954268
Energy: 0.4822651939580123
Energy: 0.02412342654072181
Energy: 0.482505939338558
Energy: 0.4822651939595369
Energy: 0.02412342653919722
Energy: 0.48250593933703345
Energy: 0.4822651939580123
Energy: 0.02412342653919722
Energy: 0.4825059393416072
Energy: 0.4822651939595369
Energy: 1.5213281928847797
Energy: 0.020823996762335366
Energy: 0.24576616108985228
Energy: 0.5214676581794945
Energy: 0.020823996762335366
Energy: 0.020823996762335366
Energy: 1.4782940054574225
Energy: 0.020823996762335366
Energy: 0.020823996760810776
Energy: 0.9059607686449702

minimum gb energy = 0.020533058154954268 eV
minimum distance =  2.29423817358052 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.1789798019411217
Energy: 1.40912065759185
Energy: 1.3930820487727225
Energy: 1.145071561262604
Energy: 1.409120657584381
Energy: 1.3930820487988638
Energy: 1.1789798019187152
Energy: 1.40912065759185
Energy: 1.3930820487951292
Energy: 1.145071561262604
Energy: 1.1542739044829156
Energy: 1.1168377718704645
Energy: 1.312748418827692
Energy: 1.1542739044754466
Energy: 1.1168377718629956
Energy: 1.312748418827692
Energy: 1.1542739044866501
Energy: 1.1168377718368545
Energy: 1.3127484188202232
Energy: 1.1542739044679777
Energy: 1.1937043867020527
Energy: 1.3151486039918279
Energy: 1.339879311152645
Energy: 1.1724204202862358
Energy: 1.3151486039918279
Energy: 1.3398793109660578
Energy: 1.1937043867244594
Energy: 1.3151486039918279
Energy: 1.3398793107681992
Energy: 1.1724204203011737
Energy: 1.360670450026966
Energy: 1.4085816922568406
Energy: 1.0197351517014357
Energy: 1.360670450012028
Energy: 1.4085816922643095
Energy: 1.0197351517089048
Energy: 1.3606704500232314
Energy: 1.408581692253106
Energy: 1.0197351517014357
Energy: 1.3606704500418358
Energy: 0.9645751457002308
Energy: 1.2701578601187373
Energy: 1.275345550738603
Energy: 0.9645751457114342
Energy: 1.2708354464434304
Energy: 1.2753626097640753
Energy: 0.9645751457114342
Energy: 1.2701578600889292
Energy: 1.2753455507273994
Energy: 0.9645751457002308
Energy: 1.376320890367131
Energy: 1.0193555034032609
Energy: 1.3244664155109382
Energy: 1.3763208903484585
Energy: 1.019355503429402
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Energy: 1.3763208903484585
Energy: 1.0193555033920574
Energy: 1.3244664155445482
Energy: 1.3763208903783344
Energy: 1.3816285822688819
Energy: 1.0193852230783609
Energy: 1.374511548792462
Energy: 1.3816285822688819
Energy: 1.0193852230783609
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Energy: 1.3816285822912886
Energy: 1.0193852230447507
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Energy: 1.3816285822800853
Energy: 1.3061783793013397
Energy: 1.3054429395312035
Energy: 1.1117335046112957
Energy: 1.3061783793050064
Energy: 1.305442939527469
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Energy: 1.3061783792901362
Energy: 1.3054429395573446
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Energy: 1.3061783793013397
Energy: 1.093251140587981
Energy: 1.408823834845533
Energy: 1.361037205498759
Energy: 1.0935084861094997
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Energy: 1.361037205483821
Energy: 1.0932511405619079
Energy: 1.4088238348716744
Energy: 1.361037205483821
Energy: 1.0935084860982964
Energy: 1.230149070572591
Energy: 1.390648518984039
Energy: 1.12149810298089
Energy: 1.2288875981490404
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Energy: 1.1210399700886464
Energy: 1.2301491037721752
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Energy: 1.2288875981154304
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Energy: 1.0604733669653625
Energy: 1.3786768115650954
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Energy: 1.0604733669541593
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Energy: 1.204337745859384
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Energy: 1.3093440015843665
Energy: 1.1744128421247182
Energy: 1.2043377458630506
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Energy: 1.174412841859707
Energy: 1.4253163722495155
Energy: 1.0195792166797315
Energy: 1.3678582888281459
Energy: 1.425316372245781
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Energy: 1.4253163722345776
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Energy: 1.4253163722569844
Energy: 1.3229976402125698
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Energy: 1.1165029399967221
Energy: 1.3229976402312424
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Energy: 1.116390592414342
Energy: 1.3229976402349768
Energy: 1.2820089746991283
Energy: 1.1165029400265978
Energy: 1.3229976402312424
Energy: 1.1038155048115135
Energy: 1.0861829980645301
Energy: 1.396863751532357
Energy: 1.1038155048003102
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Energy: 1.3968637515435605
Energy: 1.1038155047779032
Energy: 1.086182998071999
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Energy: 1.1038155048077791
Energy: 1.1833826313796854
Energy: 1.3670739358385398
Energy: 1.3999144237304275
Energy: 1.1480498086059803
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Energy: 1.1833826313610127
Energy: 1.3670739358273365
Energy: 1.3999144237266932
Energy: 1.1480498085985114
Energy: 1.2981347017624754
Energy: 1.1118515297721625
Energy: 1.298459376351451
Energy: 1.2981347017400684
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Energy: 1.298459376343982
Energy: 1.2981347017400684
Energy: 1.1118515298020384
Energy: 1.298459376351451
Energy: 1.2981347017475373
Energy: 1.4002465095135104
Energy: 1.371667053703245
Energy: 1.0196125350704202
Energy: 1.400246509479968
Energy: 1.3716670536995106
Energy: 1.019612535085358
Energy: 1.4002465094762337
Energy: 1.371667053688307
Energy: 1.019612535092827
Energy: 1.400246509517245
Energy: 1.3773792574149188
Energy: 1.1318648837594618
Energy: 1.0263859848606516
Energy: 1.37737925740745
Energy: 1.13168245725999
Energy: 1.0263859848569172
Energy: 1.3773792574149188
Energy: 1.1318648837146483
Energy: 1.0263859848494483
Energy: 1.3773792574037154
Energy: 0.964593208454697
Energy: 1.275686130065156
Energy: 1.2747909927696586
Energy: 0.964593208439759
Energy: 1.2755651491607143
Energy: 1.270330800051501
Energy: 0.9645932084434935
Energy: 1.2756861300539526
Energy: 1.274790992747252
Energy: 0.9645932084696346
Energy: 1.3586700675858814
Energy: 1.0197281298203247
Energy: 1.42823182931439
Energy: 1.3586700675970849
Energy: 1.019728129831528
Energy: 1.4282318293405312
Energy: 1.3586700676194916
Energy: 1.019728129846466
Energy: 1.4282318293255936
Energy: 1.3586700676082883
Energy: 1.1246403005695822
Energy: 1.3221365169571664
Energy: 1.1739817525047194
Energy: 1.1246403005919887
Energy: 1.3221365169721042
Energy: 1.173981752486047
Energy: 1.1246403006106611
Energy: 1.3221365169907764
Energy: 1.1739817524711091
Energy: 1.124640300577051
Energy: 1.103135690408817
Energy: 1.3362294993920014
Energy: 1.1163558272666345
Energy: 1.1031356904050824
Energy: 1.3362294993807982
Energy: 1.1164392106414802
Energy: 1.1031356904050824
Energy: 1.3362294993807982
Energy: 1.116355827277838
Energy: 1.1031356903976137
Energy: 1.0907481471642595
Energy: 1.40912065759185
Energy: 1.3930820487727225
Energy: 1.0909748382676134
Energy: 1.409120657576912
Energy: 1.3930820487988638
Energy: 1.090748147167994
Energy: 1.4091206575806465
Energy: 1.3930820487913949
Energy: 1.0909748382676134
Energy: 1.1542739045053223
Energy: 1.1168377718779334
Energy: 1.3127484188388956
Energy: 1.154273904471712
Energy: 1.1168377718517923
Energy: 1.3127484188351612
Energy: 1.1542739044829156
Energy: 1.1168377718219165
Energy: 1.312748418827692
Energy: 1.1542739044567742
Energy: 1.16150324839589
Energy: 1.3151486040142346
Energy: 1.3398793107457923
Energy: 1.159061976197559
Energy: 1.3151486040030311
Energy: 1.3398793106972444
Energy: 1.1615032484257657
Energy: 1.3151486040030311
Energy: 1.3398793110742893
Energy: 1.159061976197559
Energy: 1.3606704500493048
Energy: 1.408581692253106
Energy: 1.0197351517014357
Energy: 1.3606704500232314
Energy: 1.4085816922792476
Energy: 1.0197351516977016
Energy: 1.3606704500232314
Energy: 1.408581692275513
Energy: 1.0197351517126392
Energy: 1.3606704500418358

minimum gb energy = 0.9645751457002308 eV
minimum distance =  2.28751522431686 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.268616229795369
Energy: 1.0362909588914242
Energy: 1.0362434166898067
Energy: 1.2060057680189697
Energy: 1.0362909588841351
Energy: 1.0362434166825176
Energy: 1.2686162298099135
Energy: 1.0362909589041798
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minimum gb energy = 1.0337095262501736 eV
minimum distance =  2.18303848041573 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.2899279595543125
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Energy: 1.2685019400402922
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Energy: 1.1712594310144788
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Energy: 1.2217350279566912
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Energy: 1.2031011682763864
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Energy: 1.238677797511626
Energy: 1.2031011682702195
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Energy: 1.2220607150649005
Energy: 1.3348059322660784
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Energy: 1.2220594939649034
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Energy: 1.296953917084971
Energy: 1.222060715071068
Energy: 1.3348059322701897
Energy: 1.2969539170993614
Energy: 1.269402339421656
Energy: 1.2624947524905332
Energy: 1.2077936908580023
Energy: 1.269402339415489
Energy: 1.262494752492589
Energy: 1.207793690868281
Energy: 1.2694023394196003
Energy: 1.2624947524884773
Energy: 1.2077936908580023
Energy: 1.2694023394257679
Energy: 1.170150009214519
Energy: 1.2902336347016325
Energy: 1.2251751588370354
Energy: 1.1701500092083517
Energy: 1.2899085960152408
Energy: 1.2251751588390911
Energy: 1.170150009196017
Energy: 1.2902336347098553
Energy: 1.2251751588493698
Energy: 1.1701500092021844
Energy: 1.2759757059819297
Energy: 1.1718025349252248
Energy: 1.2607406148790634
Energy: 1.27597570599632
Energy: 1.171996407286761
Energy: 1.2607406148913982
Energy: 1.27597570599632
Energy: 1.1718025349128902
Energy: 1.2607406148913982
Energy: 1.2759757059860413
Energy: 1.2617261639086446
Energy: 1.1713955283968012
Energy: 1.310062037441191
Energy: 1.261726163888087
Energy: 1.171384301690656
Energy: 1.3100620374555814
Energy: 1.2617261638736967
Energy: 1.1713955283700763
Energy: 1.3100620374658603
Energy: 1.2617261638921986

minimum gb energy = 1.164658687010606 eV
minimum distance =  2.22920780397388 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.214530702604619
Energy: 1.1987649161913705
Energy: 1.199032853605338
Energy: 1.1586750738086231
Energy: 1.1987649161899592
Energy: 1.1990328521768419
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Energy: 1.1990328528047
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Energy: 1.2102566610789032
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Energy: 1.2317606759174864
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Energy: 1.2899023627855921
Energy: 1.2317606759040771
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Energy: 1.240629570045313
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Energy: 1.2842083621434088
Energy: 1.1627340770383967
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Energy: 1.2406295700495475
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Energy: 1.1627340770186356
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Energy: 1.1689814921185113
Energy: 1.2451178925202202
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Energy: 1.1689814921163941
Energy: 1.2451178925166912
Energy: 1.196193907109837
Energy: 1.1689814921192172
Energy: 1.245117892523749
Energy: 1.1961939071034857
Energy: 1.2344802628390896
Energy: 1.1594938503393077
Energy: 1.233869017960069
Energy: 1.2344802628412066
Energy: 1.1594938503350731
Energy: 1.233869018029168
Energy: 1.2344802628440297
Energy: 1.1594938503301329
Energy: 1.2338690166176094
Energy: 1.2344802628454412
Energy: 1.257052711579645
Energy: 1.3214686640798634
Energy: 1.1556621590677356
Energy: 1.2570527115739991
Energy: 1.3214686640749234
Energy: 1.1556621590698526
Energy: 1.2570527115662358
Energy: 1.3214686640777462
Energy: 1.1556621590747929
Energy: 1.2570527115577668
Energy: 1.1586750738241498
Energy: 1.1987649161885476
Energy: 1.199032852042108
Energy: 1.1586750738170921
Energy: 1.198764916185019
Energy: 1.1990328528110519
Energy: 1.158675073823444
Energy: 1.198764916184313
Energy: 1.1990328522114233
Energy: 1.1586750738156808

minimum gb energy = 1.1554878284924113 eV
minimum distance =  2.27968182179249 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.3138030662558935
Energy: 1.130127863835221
Energy: 1.1239105323112786
Energy: 1.237985189909139
Energy: 1.1301278638489123
Energy: 1.1239105322975875
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Energy: 1.1301278638324828
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Energy: 1.0561970554705875
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Energy: 1.0417509506125056
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Energy: 1.1814897472276462
Energy: 1.1163247426663399
Energy: 1.0260149156981624
Energy: 1.0682210238474392
Energy: 1.1163247426663399
Energy: 1.026014915703639
Energy: 1.0685602212357745
Energy: 1.1163247426472218
Energy: 1.0260149156981624
Energy: 1.0682210238145804
Energy: 1.1163247426636016
Energy: 1.131052433531214
Energy: 1.2728348336421693
Energy: 1.0837140260997105
Energy: 1.131052433528476
Energy: 1.2728348336421693
Energy: 1.0833917255565155
Energy: 1.1310524335120464
Energy: 1.2728348336175253
Energy: 1.08371402611614
Energy: 1.131052433528476
Energy: 1.076679803709045
Energy: 1.281872919292915
Energy: 1.071409436944045
Energy: 1.076679803698092
Energy: 1.281872919317559
Energy: 1.071409436944045
Energy: 1.0766798037008303
Energy: 1.2818729193202971
Energy: 1.07140943693583
Energy: 1.07667980371726
Energy: 1.0843199603527724
Energy: 1.0470858197529134
Energy: 1.0466757237219562
Energy: 1.0843199603801548
Energy: 1.0470858197501751
Energy: 1.0466757237055266
Energy: 1.0843199603801548
Energy: 1.0470858197310076
Energy: 1.0466757237383855
Energy: 1.0843199603555105
Energy: 1.076330707292267
Energy: 1.1533037588003772
Energy: 1.1171744375476977
Energy: 1.0763307072840522
Energy: 1.153303758822283
Energy: 1.1171744375422217
Energy: 1.0763307072566697
Energy: 1.1533037588441892
Energy: 1.117174437569604
Energy: 1.0763307072621464
Energy: 1.134498405962203
Energy: 1.0475274093264713
Energy: 1.0807207155427698
Energy: 1.1344984059649412
Energy: 1.047527409323733
Energy: 1.0807207155537226
Energy: 1.1344984059348704
Energy: 1.04752740931278
Energy: 1.080720715545508
Energy: 1.1344984059430852
Energy: 1.1301171383317685
Energy: 1.1269651626842907
Energy: 1.2758724266076433
Energy: 1.1301171383262922
Energy: 1.1269651626596469
Energy: 1.2384668320425531
Energy: 1.1301171383317685
Energy: 1.1269651626569583
Energy: 1.275872426593952
Energy: 1.1301171383262922
Energy: 1.0554865107556044
Energy: 1.1165529691018088
Energy: 1.0775063044196247
Energy: 1.0554865107336986
Energy: 1.153057330470846
Energy: 1.0527289467859235
Energy: 1.0554865107364368
Energy: 1.1165529690854292
Energy: 1.0775063044168867
Energy: 1.0554865107528661
Energy: 1.0577783475240823
Energy: 1.102325305679143
Energy: 1.1043320188541472
Energy: 1.057778347521344
Energy: 1.1022147354601992
Energy: 1.1041459724785454
Energy: 1.0577783475268203
Energy: 1.1023253056709283
Energy: 1.1043320188678385
Energy: 1.0577783475349851
Energy: 1.0659145695877932
Energy: 1.0793985712751468
Energy: 1.0570065408569986
Energy: 1.065914569582317
Energy: 1.079345559117762
Energy: 1.0570065408679516
Energy: 1.065914569596008
Energy: 1.0793985712860996
Energy: 1.0570065408734284
Energy: 1.0659145695905314
Energy: 1.166586787385277
Energy: 1.0805743521595668
Energy: 1.1031822507255165
Energy: 1.1665867874016569
Energy: 1.0806385644234184
Energy: 1.1031822507227784
Energy: 1.1665867874180862
Energy: 1.0805743521924258
Energy: 1.103182250706349
Energy: 1.1665867874016569
Energy: 1.0613375471630497
Energy: 1.129103796247709
Energy: 1.0781317085013469
Energy: 1.0613375471767408
Energy: 1.1291037962449708
Energy: 1.0781317084903939
Energy: 1.0613375471712645
Energy: 1.1291037962340178
Energy: 1.0781317085013469
Energy: 1.0613375471712645

minimum gb energy = 1.0199489554994694 eV
minimum distance =  2.23243339123478 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.5407436307064661
Energy: 0.6375118262937983
Energy: 0.6374407196954476
Energy: 0.48735683072016506
Energy: 0.6375118262944484
Energy: 0.6374407196899514
Energy: 0.5407436306772121
Energy: 0.6375118262905479
Energy: 0.6374407196964522
Energy: 0.48735683072046043
Energy: 0.5411895177529403
Energy: 0.6272863132977997
Energy: 0.5794461789888091
Energy: 0.5411895177603869
Energy: 0.6272863133056007
Energy: 0.5794461789826629
Energy: 0.5411895177548907
Energy: 0.6272863133071964
Energy: 0.5794461789751574
Energy: 0.5411895177467351
Energy: 0.4874288767750412
Energy: 0.6612339437982042
Energy: 0.5208292069529211
Energy: 0.48742887675973456
Energy: 0.6612339437992089
Energy: 0.5208292069659228
Energy: 0.48742887675973456
Energy: 0.6612339437966085
Energy: 0.5208292069737239
Energy: 0.4874288767756913
Energy: 0.5935484203969457
Energy: 0.6370128766902357
Energy: 0.5673922063201797
Energy: 0.5935484204017919
Energy: 0.6370128766817846
Energy: 0.5673922063315268
Energy: 0.5935484204108931
Energy: 0.6370128766853305
Energy: 0.5673922063240803
Energy: 0.5935484204157981
Energy: 0.6381541987005359
Energy: 0.6283749714784655
Energy: 0.4878685037914597
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Energy: 0.628374971489517
Energy: 0.4878685037794036
Energy: 0.63815419869764
Energy: 0.6283749714729103
Energy: 0.4878685037878547
Energy: 0.6381541986920848
Energy: 0.6812234293656746
Energy: 0.5698797550307765
Energy: 0.5297760209166802
Energy: 0.6812234293728255
Energy: 0.5698797550428326
Energy: 0.5297760208933362
Energy: 0.6812234293738303
Energy: 0.5698797550333768
Energy: 0.5297760209040331
Energy: 0.6812234293673294
Energy: 0.6387723103177787
Energy: 0.5294333090651633
Energy: 0.5623854647415287
Energy: 0.6387723103128735
Energy: 0.529433309078165
Energy: 0.5623854647532303
Energy: 0.638772310301172
Energy: 0.529433309067409
Energy: 0.5623854647444245
Energy: 0.638772310315474
Energy: 0.6803509448462003
Energy: 0.4878744845730729
Energy: 0.6279060791759958
Energy: 0.6803509448445455
Energy: 0.4878744845701179
Energy: 0.6279060791854516
Energy: 0.6803509448377492
Energy: 0.48787448458051935
Energy: 0.6279060791724499
Energy: 0.6803509448370991
Energy: 0.5522168849441069
Energy: 0.5637467262963554
Energy: 0.637286916724624
Energy: 0.5522168849308097
Energy: 0.5637467262924547
Energy: 0.637286916726515
Energy: 0.5522168849295095
Energy: 0.5637467262791576
Energy: 0.6372869167116222
Energy: 0.5522168849408564
Energy: 0.48739351797549674
Energy: 0.5242781196395514
Energy: 0.6631459007617589
Energy: 0.4873935179804019
Energy: 0.524278119645402
Energy: 0.6631459007637093
Energy: 0.48739351797715147
Energy: 0.5242781196473524
Energy: 0.6631459007747017
Energy: 0.4873935179650953
Energy: 0.5411596360288449
Energy: 0.5563504090937653
Energy: 0.6276676219983021
Energy: 0.5411596360375915
Energy: 0.5563504090989659
Energy: 0.627667621986305
Energy: 0.5411596360349912
Energy: 0.5563504091032212
Energy: 0.6276676220045074
Energy: 0.5411596360362915
Energy: 0.4873568307224107
Energy: 0.6375118263009492
Energy: 0.6374407196954476
Energy: 0.48735683072501107
Energy: 0.6375118263005947
Energy: 0.6374407196876466
Energy: 0.48735683072176067
Energy: 0.6375118263018948
Energy: 0.6374407196990525
Energy: 0.48735683072436103
Energy: 0.5411895177620416
Energy: 0.6272863132954949
Energy: 0.5794461789855587
Energy: 0.5411895177720885
Energy: 0.6272863133078466
Energy: 0.5794461789813626
Energy: 0.5411895177525858
Energy: 0.6272863133019957
Energy: 0.579446178980358
Energy: 0.5411895177477398
Energy: 0.487428876773091
Energy: 0.6612339437923533
Energy: 0.5208292069483706
Energy: 0.48742887676948593
Energy: 0.6612339437979087
Energy: 0.5208292069597765
Energy: 0.4874288767636351
Energy: 0.6612339437985587
Energy: 0.5208292069737239
Energy: 0.4874288767665901
Energy: 0.5935484204024418
Energy: 0.6370128766957319
Energy: 0.567392206329281
Energy: 0.5935484204034466
Energy: 0.6370128766840303
Energy: 0.5673922063386776
Energy: 0.5935484204060469
Energy: 0.6370128766850349
Energy: 0.5673922063263261
Energy: 0.593548420418044
Energy: 0.6381541986885388
Energy: 0.6283749714833117
Energy: 0.4878685037956558
Energy: 0.6381541986992358
Energy: 0.6283749714956633
Energy: 0.4878685037709525
Energy: 0.6381541986995903
Energy: 0.6283749714823662
Energy: 0.4878685037778079
Energy: 0.6381541986816834
Energy: 0.681223429365379
Energy: 0.5698797550311311
Energy: 0.5297760209241857
Energy: 0.6812234293715252
Energy: 0.5698797550366274
Energy: 0.5297760208972366
Energy: 0.6812234293728255
Energy: 0.5698797550324313
Energy: 0.5297760209043877
Energy: 0.68122342937188
Energy: 0.63877231032688
Energy: 0.5294333090609082
Energy: 0.5623854647441291
Energy: 0.638772310316124
Energy: 0.529433309066759
Energy: 0.5623854647480296
Energy: 0.6387723102982761
Energy: 0.5294333090693594
Energy: 0.5623854647408787
Energy: 0.6387723103171287
Energy: 0.6803509448438955
Energy: 0.48787448457531873
Energy: 0.6279060791737502
Energy: 0.6803509448360944
Energy: 0.4878744845720682
Energy: 0.627906079180251
Energy: 0.6803509448409994
Energy: 0.48787448457856913
Energy: 0.6279060791688449
Energy: 0.6803509448468503
Energy: 0.5522168849509033
Energy: 0.5637467262976555
Energy: 0.637286916717473
Energy: 0.5522168849301596
Energy: 0.5637467262960598
Energy: 0.6372869167233237
Energy: 0.5522168849204083
Energy: 0.5637467262856585
Energy: 0.6372869167164683
Energy: 0.5522168849311051
Energy: 0.4873935179784517
Energy: 0.5242781196363009
Energy: 0.6631459007640048
Energy: 0.48739351798235214
Energy: 0.524278119640556
Energy: 0.6631459007643593
Energy: 0.487393517981052
Energy: 0.5242781196509574
Energy: 0.6631459007744062
Energy: 0.48739351796675007
Energy: 0.5411596360213393
Energy: 0.5563504090902194
Energy: 0.6276676220061032
Energy: 0.5411596360262446
Energy: 0.5563504090996161
Energy: 0.6276676219843548
Energy: 0.5411596360249444
Energy: 0.5563504091045213
Energy: 0.6276676219934559
Energy: 0.5411596360304406
Energy: 0.5407436306934643
Energy: 0.6375118262999445
Energy: 0.6374407196899514
Energy: 0.48735683072176067
Energy: 0.6375118262940938
Energy: 0.6374407196808501
Energy: 0.5407436306720115
Energy: 0.6375118262966941
Energy: 0.6374407196967478
Energy: 0.4873568307208151
Energy: 0.5411895177529403
Energy: 0.6272863132941947
Energy: 0.5794461789836085
Energy: 0.5411895177707883
Energy: 0.6272863132967951
Energy: 0.5794461789820129
Energy: 0.5411895177603869
Energy: 0.6272863132932491
Energy: 0.5794461789891638
Energy: 0.5411895177451395
Energy: 0.48742887677439106
Energy: 0.6612339437966085
Energy: 0.5208292069457702
Energy: 0.4874288767681857
Energy: 0.6612339437946583
Energy: 0.5208292069613722
Energy: 0.4874288767642852
Energy: 0.6612339437910533
Energy: 0.5208292069659228
Energy: 0.4874288767704906
Energy: 0.5935484204014964
Energy: 0.6370128766905312
Energy: 0.5673922063217754
Energy: 0.5935484203953502
Energy: 0.6370128766798343
Energy: 0.5673922063250258
Energy: 0.5935484203998416
Energy: 0.6370128766798343
Energy: 0.5673922063162793
Energy: 0.5935484204144981
Energy: 0.6381541986868842
Energy: 0.6283749714804159
Energy: 0.4878685037895095
Energy: 0.6381541986904892
Energy: 0.6283749714885124
Energy: 0.48786850377680324
Energy: 0.6381541986842838
Energy: 0.6283749714771654
Energy: 0.4878685037869091
Energy: 0.638154198677192
Energy: 0.6812234293669748
Energy: 0.5698797550249257
Energy: 0.529776020918335
Energy: 0.68122342937253
Energy: 0.569879755034027
Energy: 0.5297760209024374
Energy: 0.6812234293705798
Energy: 0.5698797550350316
Energy: 0.5297760209144344
Energy: 0.6812234293669748
Energy: 0.6387723103177787
Energy: 0.5294333090599626
Energy: 0.562385464732132
Energy: 0.6387723103138782
Energy: 0.5294333090635086
Energy: 0.5623854647489752
Energy: 0.6387723103080275
Energy: 0.5294333090625629
Energy: 0.5623854647496253
Energy: 0.6387723103174241
Energy: 0.6803509448494507
Energy: 0.48787448456527194
Energy: 0.6279060791737502
Energy: 0.6803509448409994
Energy: 0.48787448456556737
Energy: 0.6279060791720953
Energy: 0.6803509448409994
Energy: 0.4878744845750232
Energy: 0.6279060791698495
Energy: 0.6803509448468503
Energy: 0.5522168849431022
Energy: 0.5637467262905046
Energy: 0.6372869167223191
Energy: 0.5522168849337055
Energy: 0.5637467262859539
Energy: 0.6372869167262196
Energy: 0.5522168849204083
Energy: 0.563746726274607
Energy: 0.6372869167161728
Energy: 0.5522168849282093
Energy: 0.487393517985248
Energy: 0.524278119644102
Energy: 0.6631459007598087
Energy: 0.48739351799080327
Energy: 0.5242781196350008
Energy: 0.6631459007598087
Energy: 0.48739351797549674
Energy: 0.5242781196451066
Energy: 0.6631459007805524
Energy: 0.4873935179661
Energy: 0.5411596360307952
Energy: 0.5563504090924651
Energy: 0.6276676219983021
Energy: 0.5411596360372961
Energy: 0.5563504090970158
Energy: 0.6276676219885509
Energy: 0.5411596360346957
Energy: 0.5563504090976659
Energy: 0.6276676220041529
Energy: 0.5411596360401919

minimum gb energy = 0.48735683072016506 eV
minimum distance =  2.32201006868449 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.07119811402723
Energy: 1.0138439639566221
Energy: 1.0133194225148143
Energy: 1.023890588928028
Energy: 1.0138439639405625
Energy: 1.0133194225076767
Energy: 1.071198114036152
Energy: 1.0138439639512689
Energy: 1.0133194225165985
Energy: 1.0238905889351657
Energy: 1.0610658166066982
Energy: 0.9878163171025348
Energy: 1.0308778201802467
Energy: 1.061065816583501
Energy: 0.9878163171132412
Energy: 1.0308778202051958
Energy: 1.061065816597776
Energy: 0.9878163171078879
Energy: 1.0308778202176865
Energy: 1.0610658166031295
Energy: 1.020891906862975
Energy: 1.0244165435513153
Energy: 1.0177415791489597
Energy: 1.0208919068594062
Energy: 1.0244165435263661
Energy: 1.01774157917034
Energy: 1.0375740255611698
Energy: 1.0244165435299024
Energy: 1.0177415791632023
Energy: 1.0341464701245588
Energy: 1.1345930054924018
Energy: 0.9886183096515064
Energy: 1.0275992741713704
Energy: 1.1345930055084614
Energy: 0.9886183096443688
Energy: 1.027599274178508
Energy: 1.134593005506677
Energy: 0.9886183096425843
Energy: 1.0275992741570952
Energy: 1.1345930055048925
Energy: 1.1052250758613398
Energy: 1.0297233513107544
Energy: 1.028360871744819
Energy: 1.1052250758506335
Energy: 1.029723351316108
Energy: 1.0283608717555255
Energy: 1.1052250758524178
Energy: 1.0297233513214283
Energy: 1.0283608717483879
Energy: 1.105225075857771
Energy: 1.0629967484282907
Energy: 1.0853804380581475
Energy: 1.0724956889366934
Energy: 1.0629967484265064
Energy: 1.085380438075992
Energy: 1.0724956889224182
Energy: 1.0629967484354284
Energy: 1.0853804380795602
Energy: 1.0724956889170651
Energy: 1.0629967484514877
Energy: 0.9889884374648408
Energy: 1.0473740564640304
Energy: 1.1165607316018273
Energy: 0.9890125770855848
Energy: 1.0473740564711682
Energy: 1.1165607316107493
Energy: 0.9889884374701939
Energy: 1.0473740564675993
Energy: 1.1165607316071804
Energy: 0.9890125770945066
Energy: 1.0328010094050164
Energy: 1.0048651205180223
Energy: 0.9694474324910546
Energy: 1.0328010093996631
Energy: 1.0048651204930732
Energy: 0.969447432501761
Energy: 1.0328010093711129
Energy: 1.0048651205019627
Energy: 0.969447432501761
Energy: 1.032801009381819
Energy: 1.013227171712387
Energy: 0.9775858044564616
Energy: 1.133412619956325
Energy: 1.0132271716981123
Energy: 0.9775858044528928
Energy: 1.1334126199741368
Energy: 1.0132271716945433
Energy: 0.9775858044564616
Energy: 1.1334126199687833
Energy: 1.0132271716874057
Energy: 1.0507072802739996
Energy: 0.9867691304248212
Energy: 1.069292300282357
Energy: 1.0507072802633257
Energy: 0.9867691304212524
Energy: 1.0692923002983836
Energy: 1.05070728026511
Energy: 0.9867691304105459
Energy: 1.0692923002627281
Energy: 1.050707280281137
Energy: 1.041785935794953
Energy: 1.0495307422494964
Energy: 1.0370576672932088
Energy: 1.0417859357967374
Energy: 1.0495307422334694
Energy: 1.0371613885831108
Energy: 1.041785935807444
Energy: 1.0495307422388225
Energy: 1.0370576673110203
Energy: 1.0417859358145491
Energy: 0.9856254306283041
Energy: 1.098959053052338
Energy: 1.0333974586645596
Energy: 0.9856254306140289
Energy: 1.0975127082185108
Energy: 1.0228759804153822
Energy: 0.9856254306051069
Energy: 1.0989590530309254
Energy: 1.0333974586396104
Energy: 0.9856254306265196
Energy: 1.0219135333093776
Energy: 1.02148671664278
Energy: 1.0214759244525047
Energy: 1.021913533311162
Energy: 1.021416707880042
Energy: 1.0215275446365293
Energy: 1.021913533311162
Energy: 1.0214867166552708
Energy: 1.0214759244400462
Energy: 1.0219135333058087
Energy: 0.9865262681131937
Energy: 0.9994513635493764
Energy: 1.034852633097012
Energy: 0.9865262681042718
Energy: 1.0079780507283858
Energy: 1.0348526331130716
Energy: 0.986526268100703
Energy: 0.9994513634958772
Energy: 1.034852633100581
Energy: 0.9865262681131937
Energy: 1.04484061302105
Energy: 1.0480262411938268
Energy: 1.0210052629788977
Energy: 1.0448406130228345
Energy: 1.0252383373567606
Energy: 1.021005262955733
Energy: 1.0448406130192656
Energy: 1.0480262411724464
Energy: 1.0210052629539486
Energy: 1.0448406130103436
Energy: 1.0322285792352532
Energy: 1.055002762152264
Energy: 0.9872183444394564
Energy: 1.0322285792298997
Energy: 1.055002762152264
Energy: 0.9872183444376721
Energy: 1.0322285792352532
Energy: 1.055002762146911
Energy: 0.9872183444162593
Energy: 1.0322285792370374
Energy: 1.0458373734267912
Energy: 1.122197909290137
Energy: 1.0314955801413477
Energy: 1.0458373734339288
Energy: 1.122197909275862
Energy: 1.0314955801609433
Energy: 1.0458373734214381
Energy: 1.122197909290137
Energy: 1.0314955801538057
Energy: 1.045837373416085
Energy: 1.0502882784901257
Energy: 1.0380288895147884
Energy: 0.9963024467101034
Energy: 1.0502882785008323
Energy: 1.0380288895183571
Energy: 0.996302446726163
Energy: 1.0502882784883414
Energy: 1.0380288895130039
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Energy: 1.0018923406142013
Energy: 0.9823629444163159
Energy: 1.0635507175647005
Energy: 1.0018923406195543

minimum gb energy = 0.9694474324910546 eV
minimum distance =  2.21509068472326 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.2757393028010766
Energy: 1.2313560071727592
Energy: 1.254898943494689
Energy: 1.2757393027998956
Energy: 1.2313560071727592

minimum gb energy = 1.181596500930222 eV
minimum distance =  2.24329964501319 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 1.287185608156159 eV
minimum distance =  2.21409884558789 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.3738859996919728
Energy: 1.384285584905155
Energy: 1.2887674188415748
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Energy: 1.2887674188469098
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Energy: 1.3162459809811167
Energy: 1.338331840595157
Energy: 1.3381425302541952
Energy: 1.3162459809811167
Energy: 1.3383318405924893
Energy: 1.3381425302461927
Energy: 1.316245980983784
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Energy: 1.3381425302435253
Energy: 1.3162459809811167
Energy: 1.3741026791145552
Energy: 1.2892188090169079
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Energy: 1.3741026791172226
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Energy: 1.3741026791198903
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Energy: 1.3841732088712848
Energy: 1.3741026791198903
Energy: 1.300467974602085
Energy: 1.2672798824773168
Energy: 1.2994680609180653
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Energy: 1.2994680609180653
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Energy: 1.2672798824773168
Energy: 1.299468060915398
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Energy: 1.3619109125571258
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Energy: 1.2854097094057166
Energy: 1.3058565328378857
Energy: 1.4850576064554228
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Energy: 1.3058565328405534
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Energy: 1.2854097094057166
Energy: 1.3058565328405534
Energy: 1.4850576064554228
Energy: 1.268982419001008
Energy: 1.4116643585337136
Energy: 1.3813983933871326
Energy: 1.268982419006343
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Energy: 1.3813983933871326
Energy: 1.268982418995673
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Energy: 1.3813983933871326
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Energy: 1.2841785164436597
Energy: 1.3162829627961692
Energy: 1.3388219057135842
Energy: 1.2841785164436597
Energy: 1.3162829627961692
Energy: 1.3388219057135842
Energy: 1.2841785164436597
Energy: 1.3162829627961692
Energy: 1.338821905710917
Energy: 1.2841785164436597
Energy: 1.4351325156786543
Energy: 1.3429450806980765
Energy: 1.342694282393646
Energy: 1.4351325156786543
Energy: 1.3429450806980765
Energy: 1.3426942823909787
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Energy: 1.3429450806954089
Energy: 1.342694282393646
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Energy: 1.2838877408832359
Energy: 1.3390238183710976
Energy: 1.3163415443999582
Energy: 1.2838877408832359
Energy: 1.3390238183684302
Energy: 1.3163415444026256
Energy: 1.2838877408859033
Energy: 1.3390238183684302
Energy: 1.3163415444026256
Energy: 1.2838877408859033
Energy: 1.2689626942463688
Energy: 1.3815621023485014
Energy: 1.4116612441287715
Energy: 1.2689626942437013
Energy: 1.3815621023431663
Energy: 1.4116612441261038
Energy: 1.2689626942383665
Energy: 1.3815621023511688
Energy: 1.4116612441261038
Energy: 1.2689626942383665
Energy: 1.4851464781277752
Energy: 1.3059843018576072
Energy: 1.2853931868568933
Energy: 1.4851464781277752
Energy: 1.3059843018549397
Energy: 1.2853931868595607
Energy: 1.4851464781251078
Energy: 1.3059843018576072
Energy: 1.2853931868568933
Energy: 1.4851464781304426
Energy: 1.3619339625481708
Energy: 1.432070112236638
Energy: 1.2686102006750641
Energy: 1.3619339625508382
Energy: 1.4320701122393056
Energy: 1.2686102006723967
Energy: 1.3619339625508382
Energy: 1.432070112236638
Energy: 1.2686102006750641
Energy: 1.3619339625508382

minimum gb energy = 1.2672792806637754 eV
minimum distance =  2.22237971620583 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.2659514952749409
Energy: 1.2678637071824832
Energy: 1.26777484733402
Energy: 1.2659514952749409
Energy: 1.2678637071863401
Energy: 1.26777484733402
Energy: 1.2659514952749409
Energy: 1.2678637071824832
Energy: 1.267774847335948
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Energy: 1.263836195601025
Energy: 1.2665663191544307
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Energy: 1.26656631915202
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Energy: 1.2669865186451448
Energy: 1.2638361955957216
Energy: 1.2656441464355885
Energy: 1.2650992165316775
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Energy: 1.2650992165321597
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Energy: 1.265644146438481
Energy: 1.3284843335745766
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Energy: 1.263836195601507
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Energy: 1.2638361955962036
Energy: 1.2665663191481633
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Energy: 1.2650992165350525
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Energy: 1.266862378082309
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Energy: 1.2678637071873045
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Energy: 1.2656441464399275
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Energy: 1.265657100160428
Energy: 1.3284843336145484
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Energy: 1.2656571001647672
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Energy: 1.2668623780852015
Energy: 1.2665910307176638
Energy: 1.263925288781177
Energy: 1.266862378082309
Energy: 1.266591030714771
Energy: 1.2639252887797308
Energy: 1.2668623780847192
Energy: 1.26659103071911
Energy: 1.2639252887806949
Energy: 1.2659514952734945
Energy: 1.2678637071820011
Energy: 1.267774847335466
Energy: 1.2659514952749409
Energy: 1.2678637071863401
Energy: 1.2677748473369124
Energy: 1.2659514952749409
Energy: 1.2678637071834473
Energy: 1.2677748473349837
Energy: 1.2659514952744586
Energy: 1.263836195601989
Energy: 1.2665663191563592
Energy: 1.2669865186436986
Energy: 1.2638361955962036
Energy: 1.26656631915202
Energy: 1.2669865186451448
Energy: 1.263836195601507
Energy: 1.2665663191544307
Energy: 1.2669865186417701
Energy: 1.2638361955957216
Energy: 1.2656441464351063
Energy: 1.2650992165321597
Energy: 1.3285599689163519
Energy: 1.2656441464379993
Energy: 1.2650992165350525
Energy: 1.3285599689322616
Energy: 1.2656441464365527
Energy: 1.2650992165326418
Energy: 1.3285599689259942
Energy: 1.2656441464379993
Energy: 1.3284843335837369
Energy: 1.2654304231691553
Energy: 1.26565710016091
Energy: 1.3284843335625236
Energy: 1.2654304231720481
Energy: 1.2656571001652492
Energy: 1.3284843335581848
Energy: 1.2654304231657805
Energy: 1.2656571001618744
Energy: 1.3284843335996028
Energy: 1.2668623780803805
Energy: 1.2665910307152533
Energy: 1.2639252887826233
Energy: 1.2668623780842372
Energy: 1.266591030714289
Energy: 1.263925288781177
Energy: 1.2668623780832728
Energy: 1.2665910307118784
Energy: 1.263925288781177
Energy: 1.2668623780842372
Energy: 1.2678637071873045
Energy: 1.2677748473277521
Energy: 1.2659514952744586
Energy: 1.2678637071829653
Energy: 1.2677748473287165
Energy: 1.2659514952744586
Energy: 1.2678637071863401
Energy: 1.2677748473282342
Energy: 1.2659514952734945
Energy: 1.2678637071834473
Energy: 1.2665663191534664
Energy: 1.2669865186480376
Energy: 1.263836195601989
Energy: 1.2665663191578056
Energy: 1.2669865186432165
Energy: 1.2638361955957216
Energy: 1.2665663191534664
Energy: 1.2669865186461091
Energy: 1.263836195601989
Energy: 1.2665663191563592

minimum gb energy = 1.2638361955957216 eV
minimum distance =  2.25213343960479 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.340874085789355
Energy: 1.2855715816174336
Energy: 1.3421343111103472
Energy: 1.2762940996431502
Energy: 1.2855715816305462
Energy: 1.3421343110841224
Energy: 1.340874085765355
Energy: 1.28557158159999
Energy: 1.3421343111190893
Energy: 1.2762940996431502
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Energy: 1.2609833997215025
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Energy: 1.3151413509267822
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Energy: 1.2753931509957188
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Energy: 1.2220628727734977
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Energy: 1.2413558126345399
Energy: 1.3140253827504929
Energy: 1.3528068737457575
Energy: 1.241131923464825
Energy: 1.3140253827723472
Energy: 1.352622918534268
Energy: 1.2413558126585795
Energy: 1.3140253827723472
Energy: 1.352806873723903
Energy: 1.2808192162616416
Energy: 1.2386786736225226
Energy: 1.3924058673764916
Energy: 1.2808192162703833
Energy: 1.2386786736290392
Energy: 1.3924058673458957
Energy: 1.2808192163031649
Energy: 1.2386786736508935
Energy: 1.3924058673655646
Energy: 1.2808192162966086
Energy: 1.2521882749708022
Energy: 1.3469358750556475
Energy: 1.2708709079922054
Energy: 1.2521882750319944
Energy: 1.3469358750490912
Energy: 1.2709449641354593
Energy: 1.2521882750756634
Energy: 1.3469358750600184
Energy: 1.2708709079769072
Energy: 1.2521882749511732
Energy: 1.2242134054609897
Energy: 1.2798448430813636
Energy: 1.4079928820767447
Energy: 1.2242134054762879
Energy: 1.2798448430551381
Energy: 1.4079928820483343
Energy: 1.2242134054828442
Energy: 1.2798448430245424
Energy: 1.4079928820395922
Energy: 1.2242134054894005
Energy: 1.3398531965673377
Energy: 1.3991448511409807
Energy: 1.3142452720242985
Energy: 1.275360862919994
Energy: 1.399144851132239
Energy: 1.3142452720155569
Energy: 1.3398531965673377
Energy: 1.3991448511387952
Energy: 1.3142452720527091
Energy: 1.275360862906921
Energy: 1.3403465997787367
Energy: 1.2495651678800126
Energy: 1.3741765523290213
Energy: 1.2758406549192767
Energy: 1.2495651678909399
Energy: 1.3804112562098059
Energy: 1.340346599785293
Energy: 1.2495651678800126
Energy: 1.374176552342134
Energy: 1.275840654879939
Energy: 1.2265776517841076
Energy: 1.372029223871492
Energy: 1.2800006865445843
Energy: 1.2265776518147038
Energy: 1.3720292238649359
Energy: 1.2800006865445843
Energy: 1.2265776518081473
Energy: 1.3720292238409357
Energy: 1.2800006865205447
Energy: 1.2265776517928493
Energy: 1.2391356613886513
Energy: 1.2721267803674
Energy: 1.2436200570144629
Energy: 1.2391356614082805
Energy: 1.2721267803782874
Energy: 1.2436200570384628
Energy: 1.2391356614170221
Energy: 1.272126780382658
Energy: 1.2436200570428337
Energy: 1.2391356614148368
Energy: 1.2809954292058805
Energy: 1.4051235571232352
Energy: 1.2367530755344434
Energy: 1.2809954291905825
Energy: 1.4051235571210499
Energy: 1.2367731264973052
Energy: 1.2809954291818806
Energy: 1.4051235571079372
Energy: 1.2367530755235558
Energy: 1.2809954292036951
Energy: 1.4895983120047904
Energy: 1.3430098070258865
Energy: 1.2418363801102557
Energy: 1.4895983120309757
Energy: 1.3430098070237013
Energy: 1.2418363801146264
Energy: 1.489598312041903
Energy: 1.3430098070040322
Energy: 1.241836380092772
Energy: 1.489598312006936
Energy: 1.3689055856361636
Energy: 1.4134114898716816
Energy: 1.27549874160293
Energy: 1.368905585609978
Energy: 1.4134114898629397
Energy: 1.2754987416203736
Energy: 1.368905585625276
Energy: 1.4134114898629397
Energy: 1.2754987416291155
Energy: 1.368905585629647
Energy: 1.3374521607513359
Energy: 1.3401744540926146
Energy: 1.223480401573507
Energy: 1.3374521607272962
Energy: 1.3401744540926146
Energy: 1.223480401582249
Energy: 1.3374521607447796
Energy: 1.340174454083873
Energy: 1.2234804015560234
Energy: 1.3374521607578922
Energy: 1.2760341645638997
Energy: 1.3499748882600144
Energy: 1.3448647375799527
Energy: 1.276034164568271
Energy: 1.3499748882469018
Energy: 1.3448647375843237
Energy: 1.2760341645355289
Energy: 1.3499748882534581
Energy: 1.3448647375886944
Energy: 1.2760341645399
Energy: 1.3648166672848199
Energy: 1.3037246798095712
Energy: 1.3016872975720695
Energy: 1.3648166672979325
Energy: 1.3036760086284398
Energy: 1.301791782761889
Energy: 1.3648166673110453
Energy: 1.3037246798160875
Energy: 1.3016872975851819
Energy: 1.3648166673154158
Energy: 1.296858635581366
Energy: 1.2272590613673586
Energy: 1.3587264447775347
Energy: 1.296858635539843
Energy: 1.2272590613586167
Energy: 1.358726444762237
Energy: 1.2968586355485847
Energy: 1.2272590613520604
Energy: 1.358726444762237
Energy: 1.2968586355529557
Energy: 1.3192682285432193
Energy: 1.5713959500949402
Energy: 1.319282587618113
Energy: 1.319268228556332
Energy: 1.5713959500861985
Energy: 1.319282587618113
Energy: 1.319268228541034
Energy: 1.5713959500665298
Energy: 1.319282587613742
Energy: 1.3192682285344774
Energy: 1.2734064600441946
Energy: 1.2411340719874522
Energy: 1.3399319110597043
Energy: 1.2734064600485655
Energy: 1.2411357464911879
Energy: 1.3399319110553334
Energy: 1.2734064600551216
Energy: 1.2411340719983792
Energy: 1.3399319110531482
Energy: 1.2734064600551216
Energy: 1.281680514499947
Energy: 1.2695570957546782
Energy: 1.4029722734527685
Energy: 1.281680514499947
Energy: 1.269557095748122
Energy: 1.4029722734571397
Energy: 1.2816805145130596
Energy: 1.2695570957524929
Energy: 1.4029722734549541
Energy: 1.2816805145130596
Energy: 1.2678866238051514
Energy: 1.2957966635797915
Energy: 1.2661118154550073
Energy: 1.2678866238029658
Energy: 1.2957966635841625
Energy: 1.2660807002654506
Energy: 1.2678866237942241
Energy: 1.2957966635797915
Energy: 1.266111815463749
Energy: 1.2678866238051514
Energy: 1.2243737451571737
Energy: 1.2966141535561415
Energy: 1.4130145932693456
Energy: 1.224373745150657
Energy: 1.2966141535517706
Energy: 1.413014593260604
Energy: 1.2243737451462862
Energy: 1.2966141535321416
Energy: 1.4130145932475309
Energy: 1.224373745150657
Energy: 1.3184264268553585
Energy: 1.3978240257969095
Energy: 1.4068170608131743
Energy: 1.274783316567369
Energy: 1.397824025810022
Energy: 1.4068170608131743
Energy: 1.3184264268837296
Energy: 1.3978240258078367
Energy: 1.4068170608218762
Energy: 1.2747833165804816

minimum gb energy = 1.2220628727734977 eV
minimum distance =  2.20880541328223 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2260438066916906
Energy: 1.2395902980924172
Energy: 1.230493749510332
Energy: 1.2260438066932828
Energy: 1.239590298099583
Energy: 1.230493749510332
Energy: 1.2260438066916906
Energy: 1.2395902980940094
Energy: 1.2304937495095358
Energy: 1.2260438066940789
Energy: 1.2497036618587005
Energy: 1.1863042591424295
Energy: 1.2050062726333135
Energy: 1.2497036618849748
Energy: 1.1863042591503916
Energy: 1.2050062726341098
Energy: 1.2497036618594966
Energy: 1.1863042591448183
Energy: 1.2050062726333135
Energy: 1.2497036618913442
Energy: 1.3403087111096001
Energy: 1.1767887979072886
Energy: 1.1889202624258335
Energy: 1.340308711111989
Energy: 1.1767887979088811
Energy: 1.2538363584126297
Energy: 1.3500867417483668
Energy: 1.1767887979064924
Energy: 1.3051197538477985
Energy: 1.3393294752490352
Energy: 1.2342775901104124
Energy: 1.3370726103600588
Energy: 1.2376599462650948
Energy: 1.2342775901255403
Energy: 1.337072610365632
Energy: 1.2376599462658908
Energy: 1.2342775901223557
Energy: 1.3370726103552815
Energy: 1.2376599462650948
Energy: 1.2342775901350946
Energy: 1.239683044178377
Energy: 1.2021715058254652
Energy: 1.3190790523100653
Energy: 1.2396830441759883
Energy: 1.2021715058238729
Energy: 1.3190790523076767
Energy: 1.2396830441767848
Energy: 1.2021715058254652
Energy: 1.3190790523124538
Energy: 1.2396830441791733
Energy: 1.2366026633478384
Energy: 1.3538103298938067
Energy: 1.1889900886722495
Energy: 1.2366026633534115
Energy: 1.3538103299001036
Energy: 1.1889900886762306
Energy: 1.2366026633478384
Energy: 1.3538103298953992
Energy: 1.1889900886698612
Energy: 1.2366026633534115
Energy: 1.2434264278179985
Energy: 1.2187574665595606
Energy: 1.176909256261804
Energy: 1.2434264278187948
Energy: 1.2187574665627452
Energy: 1.1769092562641927
Energy: 1.243426427820387
Energy: 1.2187574665595606
Energy: 1.1769092562610082
Energy: 1.243426427819591
Energy: 1.219101171032254
Energy: 1.3972726431215516
Energy: 1.2023653143829935
Energy: 1.219101171032254
Energy: 1.397272643131902
Energy: 1.2023653143861783
Energy: 1.2191011710314574
Energy: 1.397272643122348
Energy: 1.202365314405287
Energy: 1.2191011710314574
Energy: 1.4609070924617653
Energy: 1.2024164939655042
Energy: 1.2021170579664386
Energy: 1.460907092464154
Energy: 1.2024164939615232
Energy: 1.2021170579640499
Energy: 1.4609070924577845
Energy: 1.2024164939639117
Energy: 1.2021170579648461
Energy: 1.4609070924625618
Energy: 1.313050373260678
Energy: 1.237194194256042
Energy: 1.357297012780662
Energy: 1.3130503732566974
Energy: 1.2371941942600229
Energy: 1.3572970127790696
Energy: 1.3130503732590857
Energy: 1.2371941942608191
Energy: 1.357297012780662
Energy: 1.313050373255901
Energy: 1.2809396192353717
Energy: 1.185912367455869
Energy: 1.2136906369566292
Energy: 1.2809396192481106
Energy: 1.1859123674629621
Energy: 1.213690636964591
Energy: 1.2809396192393525
Energy: 1.185912367458185
Energy: 1.2136906369582214
Energy: 1.2809396192497031
Energy: 1.2354834366953595
Energy: 1.186964992311647
Energy: 1.2068857833164681
Energy: 1.2354834366866012
Energy: 1.1869649923084622
Energy: 1.2068857833132836
Energy: 1.2354834366929708
Energy: 1.186964992312443
Energy: 1.2068857833204492
Energy: 1.235483436684213
Energy: 1.2019955677999772
Energy: 1.2747975440595123
Energy: 1.2019140564036082
Energy: 1.2019955678071428
Energy: 1.2747975440674741
Energy: 1.2019140564036082
Energy: 1.201995567799181
Energy: 1.2747975440753638
Energy: 1.2019140564044044
Energy: 1.201995567807939
Energy: 1.2141225057921667
Energy: 1.2092457781997037
Energy: 1.2098044253422617
Energy: 1.2141225057921667
Energy: 1.2092457782020924
Energy: 1.2098044253311153
Energy: 1.2141225057921667
Energy: 1.2092457781989077
Energy: 1.2098044253422617
Energy: 1.2141225057905747

minimum gb energy = 1.1767887979064924 eV
minimum distance =  2.21040792842139 Angstroms
sigma value = 33