Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977937713
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.02222573430239585
Energy: 0.6050652351055944
Energy: 0.9076317600960568
Energy: 0.604890122156309
Energy: 0.02222573430239585
Energy: 0.605065235108235
Energy: 0.9076317600960568
Energy: 0.5713974426344834
Energy: 0.022398991477622733
Energy: 0.3653756324918026
Energy: 0.022446483385975033
Energy: 0.5713974426344834
Energy: 0.022398991477622733
Energy: 0.3653756324918026
Energy: 0.02222573430239585
Energy: 0.6050652351055944
Energy: 0.9076317600960568
Energy: 0.604890122156309
Energy: 0.02222573430503651
Energy: 0.605065235108235
Energy: 0.9076317600960568
Energy: 0.5713974426344834
Energy: 0.022398991477622733
Energy: 0.3653756324918026
Energy: 0.022446483385975033
Energy: 0.5713974426344834
Energy: 0.022398991477622733
Energy: 0.3653756324918026
Energy: 0.02222573430239585
Energy: 0.6050652351055944
Energy: 0.9076317600960568
Energy: 0.604890122156309
Energy: 0.02222573430503651
Energy: 0.605065235108235
Energy: 0.9076317600960568
Energy: 0.5713974426318429
Energy: 0.022398991477622733
Energy: 0.3653756324918026
Energy: 0.022446483385975033
Energy: 0.5713974426344834
Energy: 0.022398991477622733
Energy: 0.3653756324918026

minimum gb energy = 0.02222573430239585 eV
minimum distance =  2.47052638327323 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.453597336546297
Energy: 1.439491012208591
Energy: 1.5746640902128317
Energy: 1.4033580665426812
Energy: 1.453597336546297
Energy: 1.4394910122053648
Energy: 1.5746640902128317
Energy: 1.3589234344878627
Energy: 1.3490254686154286
Energy: 1.462995825415053
Energy: 1.3838529701568145
Energy: 1.3589234344910888
Energy: 1.3490254686154286
Energy: 1.4629958254118272
Energy: 1.3393481903110862
Energy: 1.3411781768910904
Energy: 1.510823121964791
Energy: 1.3706982594041126
Energy: 1.33934819030786
Energy: 1.3411781768975428
Energy: 1.510823121961565
Energy: 1.438680993409878
Energy: 1.407607917877912
Energy: 1.5230965596354682
Energy: 1.3652402780750956
Energy: 1.438680993403426
Energy: 1.4076079178811383
Energy: 1.5230965596386943
Energy: 1.3523192631229413
Energy: 1.3252148271815187
Energy: 1.5212883615192425
Energy: 1.3370640982904358
Energy: 1.3523192631197152
Energy: 1.3252148271847446
Energy: 1.5212883615160753
Energy: 1.3835569658067843
Energy: 1.4111866899667511
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Energy: 1.3526422729881165
Energy: 1.3835569658100106
Energy: 1.4111866899635253
Energy: 1.4034557157510408
Energy: 1.3302644404099688
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Energy: 1.56218154818197
Energy: 1.402420844851518
Energy: 1.3302644404131947
Energy: 1.4202791109020187
Energy: 1.5621815481787442
Energy: 1.339388303769704
Energy: 1.337519630844725
Energy: 1.531727084997655
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Energy: 1.3393883037664778
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Energy: 1.3674054274215528
Energy: 1.4360335139704246
Energy: 1.3662975143739167
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Energy: 1.4360335139801028
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Energy: 1.3703746129272365
Energy: 1.493539149338977
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Energy: 1.3374712384351475
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Energy: 1.3548620166866256
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Energy: 1.347068082646354
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Energy: 1.4021052660536881
Energy: 1.4555989171300039
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Energy: 1.4021052660536881
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Energy: 1.3531725074169223
Energy: 1.4068801235277333
Energy: 1.3850922572127085
Energy: 1.3702839507603055
Energy: 1.3531725074201486
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Energy: 1.3312949498843425
Energy: 1.325684110634872
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Energy: 1.37020075000381
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Energy: 1.4863680104974886
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Energy: 1.371028316346459
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Energy: 1.457980215858448
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Energy: 1.551345640787226
Energy: 1.3679239518994215
Energy: 1.3472540438672793
Energy: 1.416029917527371
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Energy: 1.416029917533823
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Energy: 1.358360081191552
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Energy: 1.4029008146598911
Energy: 1.412196218390896
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Energy: 1.41219621838767
Energy: 1.4468687602622614
Energy: 1.3828736892145148
Energy: 1.376360168037014
Energy: 1.4870766825969304
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Energy: 1.5658780492171802
Energy: 1.3642727931279388
Energy: 1.3377068929140181
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Energy: 1.3922583248177114
Energy: 1.3642727931279388
Energy: 1.3377068929171856
Energy: 1.5077842081322868
Energy: 1.3308202262612312
Energy: 1.3516996611801988
Energy: 1.447320654820455
Energy: 1.350573209846281
Energy: 1.330820226254779
Energy: 1.3516996611801988
Energy: 1.4473206548172288
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Energy: 1.4284680674633763
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Energy: 1.3556917565589406
Energy: 1.4284680674569241
Energy: 1.5341610014056049
Energy: 1.3124039389253932
Energy: 1.367787834823609
Energy: 1.4335267589883076
Energy: 1.3445173025309292
Energy: 1.312403938918941
Energy: 1.367787834823609
Energy: 1.4335267589850815
Energy: 1.3339675333312453
Energy: 1.3733845511765486
Energy: 1.4975097510355886
Energy: 1.3862862296481429
Energy: 1.3339675333312453
Energy: 1.373384551183001
Energy: 1.4975097510323625
Energy: 1.3873227938943324
Energy: 1.392865625581502
Energy: 1.4654274655841137
Energy: 1.3711033112008257
Energy: 1.3873227938943324
Energy: 1.39286562557505
Energy: 1.4654274655841137
Energy: 1.4071123374624597
Energy: 1.4867826699311244
Energy: 1.4771737147237265
Energy: 1.4015643657189019
Energy: 1.4071123374560075
Energy: 1.4867826699343507
Energy: 1.4771737147237265
Energy: 1.4060824351805299
Energy: 1.345127521502371
Energy: 1.492023122783614
Energy: 1.3937241219747452
Energy: 1.406082435183756
Energy: 1.345127521508823
Energy: 1.4920231227771619
Energy: 1.4060039813677008
Energy: 1.3548302228870583
Energy: 1.4810951551534441
Energy: 1.34911723310578
Energy: 1.4060039813677008
Energy: 1.354830222883832
Energy: 1.4810951551566702
Energy: 1.4929622573710235
Energy: 1.371232435692092
Energy: 1.3939706181225195
Energy: 1.4100332184149516
Energy: 1.4929622573677974
Energy: 1.37123243568564
Energy: 1.3939706181160676
Energy: 1.390889603043639
Energy: 1.392687348004459
Energy: 1.4446341706611967
Energy: 1.4245495471323821
Energy: 1.390889603043639
Energy: 1.3926873479980066
Energy: 1.4446341706547448
Energy: 1.312651131934295
Energy: 1.3505423528510874
Energy: 1.4735252068175664
Energy: 1.3777655540890958
Energy: 1.3126511319310692
Energy: 1.3505423528510874
Energy: 1.4735252068143403
Energy: 1.3554849149235166
Energy: 1.4033000281993249
Energy: 1.5488115846837278
Energy: 1.4126384797198097
Energy: 1.3554849149235166
Energy: 1.4033000282025512
Energy: 1.548811584686954
Energy: 1.3130889295972061
Energy: 1.359054816017592
Energy: 1.4229637217572482
Energy: 1.3430172219254517
Energy: 1.3130889295972061
Energy: 1.359054816017592
Energy: 1.4229637217604745

minimum gb energy = 1.312403938918941 eV
minimum distance =  2.20942227623658 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4151852698440235
Energy: 1.385940600315384
Energy: 1.5089004227539924
Energy: 1.384171928588422
Energy: 1.4151852698403617
Energy: 1.3859406003190458
Energy: 1.5089004227539924
Energy: 1.3313346167458142
Energy: 1.3479927605202353
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Energy: 1.4597993309949944
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Energy: 1.3597794044459621
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Energy: 1.3573266562791895
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Energy: 1.3754649631202884
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Energy: 1.3318120353132066
Energy: 1.356441628125835
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Energy: 1.3605296608376152
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Energy: 1.325210556604429
Energy: 1.3566850414877645
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Energy: 1.385940600315384
Energy: 1.5030094488748482
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Energy: 1.3657997155030661
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Energy: 1.3597794044423
Energy: 1.3889372724319835
Energy: 1.5223240048826943
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Energy: 1.3318120353132066
Energy: 1.356441628125835
Energy: 1.4036615496377687
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Energy: 1.4036615496414306
Energy: 1.3540421106811862
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Energy: 1.5220560613495573
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Energy: 1.3540421106775242
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Energy: 1.3542574041351652
Energy: 1.3403836530540398
Energy: 1.5932681188471516
Energy: 1.367304965163428
Energy: 1.3542574041388271
Energy: 1.3403836530540398
Energy: 1.5932681187739133
Energy: 1.3295758785781444
Energy: 1.3558278468317657
Energy: 1.5318118938685659
Energy: 1.3556871897598304
Energy: 1.3295758785781444
Energy: 1.3558278468317657
Energy: 1.5318118938685659
Energy: 1.3585478621067357
Energy: 1.4196987667714107
Energy: 1.5722995598842033
Energy: 1.3538935768154472
Energy: 1.3585478621030738
Energy: 1.4196987667714107
Energy: 1.5722995598878653
Energy: 1.3599506851072112
Energy: 1.40795148496875
Energy: 1.5650305996462417
Energy: 1.3539030526695164
Energy: 1.3599506851108734
Energy: 1.40795148496875
Energy: 1.5650305996462417
Energy: 1.330914068727405
Energy: 1.3611746296103764
Energy: 1.4712395818848982
Energy: 1.3644886223789503
Energy: 1.330914068727405
Energy: 1.3611746296140383
Energy: 1.4712395818885602
Energy: 1.3329248006759251
Energy: 1.3566850414877645
Energy: 1.4678602291714657
Energy: 1.3538420390087151
Energy: 1.3329248006759251
Energy: 1.3566850414804408
Energy: 1.4678602291714657
Energy: 1.3318445528395262
Energy: 1.3859406003190458
Energy: 1.4277394939947137
Energy: 1.384171928588422
Energy: 1.3318445528358642
Energy: 1.385940600315384
Energy: 1.4277394939947137
Energy: 1.3313346167458142
Energy: 1.3479927605202353
Energy: 1.4652530518605793
Energy: 1.3729513040754573
Energy: 1.3313346167421523
Energy: 1.34799276051664
Energy: 1.4652530518569173

minimum gb energy = 1.325210556597105 eV
minimum distance =  2.2584731435351 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.44220905441976
Energy: 1.3432981087596543
Energy: 1.5993336966477605
Energy: 1.4097270504147605
Energy: 1.4422090544189143
Energy: 1.3432981087596543
Energy: 1.5993336966486058
Energy: 1.4542894693853186
Energy: 1.417986955115117
Energy: 1.4290998112656472
Energy: 1.3980925947928307
Energy: 1.4542894693832045
Energy: 1.4179869551168085
Energy: 1.4290998112664928
Energy: 1.371971270628034
Energy: 1.3948210860164254
Energy: 1.4146622944042682
Energy: 1.4014452166842897
Energy: 1.371971270628034
Energy: 1.394821086017271
Energy: 1.4287763603071282
Energy: 1.4019059283783075
Energy: 1.3291823454678904
Energy: 1.5178659943835393
Energy: 1.3190163331359517
Energy: 1.4019059283778845
Energy: 1.3291823454678904
Energy: 1.5178659943848078
Energy: 1.4495718046729218
Energy: 1.3492716792034618
Energy: 1.5067765394330874
Energy: 1.4091919442524365
Energy: 1.4495718046729218
Energy: 1.3492716792021935
Energy: 1.5067765394330874
Energy: 1.3779729901390458
Energy: 1.3497787119185947
Energy: 1.41406750794457
Energy: 1.3377717590559521
Energy: 1.377972990138623
Energy: 1.349778711919863
Energy: 1.4140675079441472
Energy: 1.379872567296433
Energy: 1.4490470560894257
Energy: 1.509332906959186
Energy: 1.3973728073296534
Energy: 1.3798725672968557
Energy: 1.4490470560881574
Energy: 1.5093329069587635
Energy: 1.411058425572757
Energy: 1.3517882378165333
Energy: 1.6061722072774383
Energy: 1.4035124173829299
Energy: 1.411058425572757
Energy: 1.3517882378038482
Energy: 1.6061722072778613
Energy: 1.4035888801114433
Energy: 1.3385321116439326
Energy: 1.4890930669847642
Energy: 1.3608623253155023
Energy: 1.403588880109329
Energy: 1.338532111642241
Energy: 1.48909306698561
Energy: 1.3747012765979298
Energy: 1.4188476338249594
Energy: 1.453069055600725
Energy: 1.407119851343742
Energy: 1.3747012765991984
Energy: 1.418847633824114
Energy: 1.453069055600725
Energy: 1.4672130536843493
Energy: 1.389622626010813
Energy: 1.4499318928903655
Energy: 1.3162641811665874
Energy: 1.4672130536851946
Energy: 1.3896226260129272
Energy: 1.4499318928903655
Energy: 1.4016751549537592
Energy: 1.443103782628096
Energy: 1.4187372033067764
Energy: 1.4532183200601339
Energy: 1.4016751549550275
Energy: 1.4431037826302098
Energy: 1.418737203305508
Energy: 1.39752756116769
Energy: 1.3904172793899081
Energy: 1.453108550677744
Energy: 1.3511917601278944
Energy: 1.397527561166844
Energy: 1.3904172793882168
Energy: 1.453108550677744
Energy: 1.3808392197695885
Energy: 1.3794157214116016
Energy: 1.52951719712742
Energy: 1.4087169766328869
Energy: 1.3808392197691657
Energy: 1.3794157214116016
Energy: 1.5295171971278432
Energy: 1.4080432851407532
Energy: 1.3307767387377443
Energy: 1.4518370214484755
Energy: 1.31840293586249
Energy: 1.4080432851428673
Energy: 1.3307767387402816
Energy: 1.4518370214497442
Energy: 1.455087035019346
Energy: 1.3703133677146342
Energy: 1.4637230313377705
Energy: 1.3980999747320928
Energy: 1.455087035019346
Energy: 1.3703133677159027
Energy: 1.4637230313369247
Energy: 1.4391488700229422
Energy: 1.361607915199856
Energy: 1.4137233561293108
Energy: 1.4231490685989587
Energy: 1.4391488700229422
Energy: 1.361607915199433
Energy: 1.4137233561293108
Energy: 1.3833715221783425
Energy: 1.449458922923796
Energy: 1.4420685054682056
Energy: 1.4171871161384235
Energy: 1.3833715221758052
Energy: 1.4494589229221426
Energy: 1.4420685054682056
Energy: 1.3801731069013048
Energy: 1.3518475987399412
Energy: 1.5461430792972712
Energy: 1.4017334859254416
Energy: 1.3801731069021506
Energy: 1.3518475987412097
Energy: 1.546143079297694
Energy: 1.3734837296490943
Energy: 1.33865315269719
Energy: 1.499269577040303
Energy: 1.3426494937466447
Energy: 1.3734837296490943
Energy: 1.3386531526963443
Energy: 1.4992695770407258
Energy: 1.3569730012936603
Energy: 1.3991973917312748
Energy: 1.5504146452365661
Energy: 1.407940620569477
Energy: 1.3569730012928145
Energy: 1.399197391730429
Energy: 1.5504146452357204
Energy: 1.3802377452375458
Energy: 1.407886403691332
Energy: 1.4746218422102773
Energy: 1.3145150238070953
Energy: 1.3802377452371226
Energy: 1.407886403691332
Energy: 1.4746218422085857
Energy: 1.402422926172765
Energy: 1.3875316918516654
Energy: 1.505515613365097
Energy: 1.389528513315248
Energy: 1.402422926172765
Energy: 1.3875316918499738
Energy: 1.5055156133655199
Energy: 1.3672128107797568
Energy: 1.4092684211901854
Energy: 1.4922406250482083
Energy: 1.35890843979736
Energy: 1.3672128107801798
Energy: 1.4092684211922997
Energy: 1.4922406250482083
Energy: 1.3960722712531795
Energy: 1.3721914207500963
Energy: 1.4948763811211503
Energy: 1.356270377371302
Energy: 1.3960722712536022
Energy: 1.3721914207500963
Energy: 1.4948763811232648
Energy: 1.4135868312858233
Energy: 1.3961009442057
Energy: 1.4370268054779676
Energy: 1.3604716994599257
Energy: 1.413586831286669
Energy: 1.3961009442048542
Energy: 1.4370268054762763
Energy: 1.4923816744898108
Energy: 1.3529440583149552
Energy: 1.4605387038158821
Energy: 1.344287354356055
Energy: 1.492381674488542
Energy: 1.352944058316224
Energy: 1.460538703816305
Energy: 1.4072991191584463
Energy: 1.3886545357974405
Energy: 1.4007613347652312
Energy: 1.4465600595928725
Energy: 1.4072991191580237
Energy: 1.3886545357974405
Energy: 1.4007613347648085
Energy: 1.37974962839166
Energy: 1.3962038688850256
Energy: 1.4291727136132522
Energy: 1.3801554942115517
Energy: 1.3797496283899684
Energy: 1.3962038688841802
Energy: 1.4291727136212478
Energy: 1.403514134156766
Energy: 1.341161228731421
Energy: 1.5395752773773503
Energy: 1.3162727179651543
Energy: 1.403514134156766
Energy: 1.3411612287318437
Energy: 1.5395752773765048
Energy: 1.4369950937350386
Energy: 1.3490830603965618
Energy: 1.5074065529135834
Energy: 1.387377469234647
Energy: 1.436995093737153
Energy: 1.3490830603965618
Energy: 1.5074065529131602
Energy: 1.3571902068020592
Energy: 1.3144387640968667
Energy: 1.4442719563617683
Energy: 1.3653351684968134
Energy: 1.3571902068012134
Energy: 1.3144387640947526
Energy: 1.4442719563617683
Energy: 1.3777088842170047
Energy: 1.4632352640463548
Energy: 1.515707124421213
Energy: 1.4109964589333932
Energy: 1.3777088842195415
Energy: 1.463235264045932
Energy: 1.515707124421213
Energy: 1.3644919977337804
Energy: 1.393683864574608
Energy: 1.577166106445044
Energy: 1.3869030289680864
Energy: 1.3644919977337804
Energy: 1.3936838645754535
Energy: 1.5771661064454672
Energy: 1.3792169586707848
Energy: 1.394299519310379
Energy: 1.521068996099733
Energy: 1.4022759394741344
Energy: 1.3792169586720533
Energy: 1.394299519308265
Energy: 1.521068996099733
Energy: 1.3829431879926584
Energy: 1.414062852511109
Energy: 1.527298067386702
Energy: 1.4071638458174074
Energy: 1.3829431879943497
Energy: 1.4140628525115317
Energy: 1.5272980673875478

minimum gb energy = 1.3144387640947526 eV
minimum distance =  2.22357769791722 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.3110361826693857
Energy: 1.373217242155363
Energy: 1.5499806111775642
Energy: 1.3732997286199466
Energy: 1.3110361826683876
Energy: 1.373217242158856
Energy: 1.5499806111785623
Energy: 1.2908451255983409
Energy: 1.4431536830718599
Energy: 1.3565726395370181
Energy: 1.4439158454818652
Energy: 1.2908451256012898
Energy: 1.4431536830748541
Energy: 1.3565726395385154
Energy: 1.3109670889524903
Energy: 1.231468765830421
Energy: 1.333649024548577
Energy: 1.3207341065928844
Energy: 1.3109670889494962
Energy: 1.2314687658289238
Energy: 1.3336490245490762
Energy: 1.3186036108828654
Energy: 1.4433086311229022
Energy: 1.3569450254822615
Energy: 1.4508356145025008
Energy: 1.3186036108848616
Energy: 1.4433086311209062
Energy: 1.3569450254802653
Energy: 1.390180351384993
Energy: 1.3220804857244925
Energy: 1.2543125765490573
Energy: 1.3217465321060224
Energy: 1.3901803513844941
Energy: 1.3220804857254906
Energy: 1.2543125765480592
Energy: 1.2910670485882048
Energy: 1.4436362568063525
Energy: 1.506733876268579
Energy: 1.4472759932263568
Energy: 1.2910670485847113
Energy: 1.4436362568073506
Energy: 1.5067338762660838
Energy: 1.5450559868018066
Energy: 1.3227192643799421
Energy: 1.4543088348600948
Energy: 1.3215352363523833
Energy: 1.5450559868013076
Energy: 1.3227192643819383
Energy: 1.454308834858598
Energy: 1.2915111332948324
Energy: 1.3386565317163155
Energy: 1.5069542451213973
Energy: 1.3383753061185495
Energy: 1.2915111332953313
Energy: 1.338656531718312
Energy: 1.5069542451243914
Energy: 1.5449573711047457
Energy: 1.3213317953806074
Energy: 1.5050065997646138
Energy: 1.3227823051357568
Energy: 1.544957371105245
Energy: 1.3213317953811066
Energy: 1.50500659976162
Energy: 1.2911839113170656
Energy: 1.4473604697128626
Energy: 1.506743609296865
Energy: 1.4435940043735018
Energy: 1.2911839113205588
Energy: 1.4473604697148588
Energy: 1.5067436093058477
Energy: 1.3903623707989576
Energy: 1.3222693021661565
Energy: 1.469582797891424
Energy: 1.322234277398717
Energy: 1.3903623707954642
Energy: 1.3222693021681526
Energy: 1.4695827978824416
Energy: 1.3187033404220445
Energy: 1.4507605553509182
Energy: 1.3569343575854544
Energy: 1.4434679530792085
Energy: 1.3187033404195947
Energy: 1.450760555350419
Energy: 1.3569343575864525
Energy: 1.3108877986056429
Energy: 1.3206819772828517
Energy: 1.3263323244640166
Energy: 1.231491104590694
Energy: 1.3108877986016958
Energy: 1.3206819772793585
Energy: 1.3263323244635177
Energy: 1.2908199471275834
Energy: 1.4435014825709878
Energy: 1.3565123601968299
Energy: 1.4431193816062213
Energy: 1.2908199471245891
Energy: 1.4435014825724846
Energy: 1.356512360199325
Energy: 1.3110361826693857
Energy: 1.373217242157858
Energy: 1.554391522560977
Energy: 1.3732997286204456
Energy: 1.3110361826683876
Energy: 1.3732172421563609
Energy: 1.554391522561975
Energy: 1.2908451255992937
Energy: 1.4431536830723588
Energy: 1.3565726395360198
Energy: 1.4439158454838614
Energy: 1.290845125601789
Energy: 1.443153683074355
Energy: 1.3565726395385154
Energy: 1.3109670889519913
Energy: 1.231468765830421
Energy: 1.382625005545083
Energy: 1.3207341065928844
Energy: 1.310967088948997
Energy: 1.2314687658289238
Energy: 1.3826250055430869
Energy: 1.3186036108828654
Energy: 1.4433086311229022
Energy: 1.3569450254827606
Energy: 1.450835614503
Energy: 1.3186036108848616
Energy: 1.443308631121405
Energy: 1.3569450254807645
Energy: 1.3901803513844941
Energy: 1.3220804857249917
Energy: 1.3211041775219416
Energy: 1.3217465321055235
Energy: 1.3901803513859912
Energy: 1.3220804857249917
Energy: 1.321104177523439
Energy: 1.291067048588704
Energy: 1.4436362568068513
Energy: 1.506733876269078
Energy: 1.4472759932263568
Energy: 1.2910670485847113
Energy: 1.4436362568073506
Energy: 1.5067338762665827
Energy: 1.5450559868013076
Energy: 1.3227192643799421
Energy: 1.3912373843414427
Energy: 1.3215352363513853
Energy: 1.5450559868018066
Energy: 1.322719264382437
Energy: 1.3912373843379495
Energy: 1.2915111332963294
Energy: 1.3386565317168146
Energy: 1.5069542451218965
Energy: 1.3383753061180506
Energy: 1.2915111332943334
Energy: 1.3386565317188108
Energy: 1.5069542451243914
Energy: 1.5449573711047457
Energy: 1.3213317953806074
Energy: 1.3951241360723865
Energy: 1.3227823051352576
Energy: 1.5449573711057438
Energy: 1.3213317953816055
Energy: 1.3951241360728857
Energy: 1.2911839113175647
Energy: 1.4473604697118645
Energy: 1.506743609296865
Energy: 1.4435940043735018
Energy: 1.2911839113200598
Energy: 1.4473604697153581
Energy: 1.5067436093053486
Energy: 1.39036237079247
Energy: 1.3222693021651584
Energy: 1.3829072736002976
Energy: 1.322234277398717
Energy: 1.3903623707969612
Energy: 1.3222693021671545
Energy: 1.3829072735060244
Energy: 1.3187033404220445
Energy: 1.4507605553509182
Energy: 1.3569343575854544
Energy: 1.4434679530792085
Energy: 1.3187033404195947
Energy: 1.4507605553489222
Energy: 1.3569343575864525
Energy: 1.3108877986051437
Energy: 1.320681977283351
Energy: 1.3462368252646042
Energy: 1.231491104591193
Energy: 1.3108877986016958
Energy: 1.3206819772798575
Energy: 1.3462368252656023
Energy: 1.2908199471270845
Energy: 1.4435014825684922
Energy: 1.3565123601968299
Energy: 1.4431193816067205
Energy: 1.2908199471240902
Energy: 1.443501482566496
Energy: 1.356512360198826
Energy: 1.3110361826698846
Energy: 1.3732172421528674
Energy: 1.4454632049654108
Energy: 1.3732997286199466
Energy: 1.3110361826683876
Energy: 1.3732172421548636
Energy: 1.4454632049644127
Energy: 1.2908451255992937
Energy: 1.4431536830718599
Energy: 1.3565726395355209
Energy: 1.4439158454838614
Energy: 1.290845125601789
Energy: 1.4431536830748541
Energy: 1.3565726395390143

minimum gb energy = 1.2314687658289238 eV
minimum distance =  2.27589158783784 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.3838678183825035
Energy: 1.4346855706561084
Energy: 1.6071621230114932
Energy: 1.4331347111504704
Energy: 1.3838678183837152
Energy: 1.4346855706779174
Energy: 1.6071621230114932
Energy: 1.3968817777314784
Energy: 1.31482647204554
Energy: 1.4009703280088233
Energy: 1.3138496942839164
Energy: 1.3968817777284495
Energy: 1.31482647204554
Energy: 1.4009703280064
Energy: 1.3843498273955785
Energy: 1.3318267108963555
Energy: 1.3810065538932212
Energy: 1.3308051829519718
Energy: 1.3843498273943668
Energy: 1.3318267108945383
Energy: 1.3810065538932212
Energy: 1.3943466193657443
Energy: 1.344192559859475
Energy: 1.3913041977462854
Energy: 1.3161286726699146
Energy: 1.3943466193651384
Energy: 1.3441925598588695
Energy: 1.3913041977474971
Energy: 1.3138226276774476
Energy: 1.4240045925972522
Energy: 1.2985397392710716
Energy: 1.416617171487222
Energy: 1.3138226276774476
Energy: 1.4240045925948288
Energy: 1.2985397392722833
Energy: 1.3945256146032732
Energy: 1.335412390626895
Energy: 1.4031310215147392
Energy: 1.3381351255598337
Energy: 1.394525614601456
Energy: 1.3354123906287125
Energy: 1.4031310215129218
Energy: 1.3737358769501922
Energy: 1.4239699370383718
Energy: 1.3062899420068321
Energy: 1.3689403221711165
Energy: 1.3737358769514036
Energy: 1.4239699370389776
Energy: 1.3062899420062264
Energy: 1.3815678991491414
Energy: 1.3243171258762578
Energy: 1.3245390921246816
Energy: 1.338405290275489
Energy: 1.3815678991503528
Energy: 1.3243171258756523
Energy: 1.3245390921252873
Energy: 1.3736507443774348
Energy: 1.3374514020330537
Energy: 1.4175117213244501
Energy: 1.3754204495625189
Energy: 1.3736507443756174
Energy: 1.3374514020330537
Energy: 1.417511721325056
Energy: 1.3887527585939057
Energy: 1.3189560043164426
Energy: 1.3550264037052864
Energy: 1.3247346026679476
Energy: 1.3887527585951176
Energy: 1.3189560043170487
Energy: 1.355026403708315
Energy: 1.4219483902408858
Energy: 1.3995086174290328
Energy: 1.3853948827798068
Energy: 1.3661852417159448
Energy: 1.421948390242703
Energy: 1.399508617428427
Energy: 1.3853948827792009
Energy: 1.2743100391153346
Energy: 1.360020648375236
Energy: 1.3468610373896435
Energy: 1.2983745421193813
Energy: 1.2743100391159405
Energy: 1.3600206483758417
Energy: 1.3468610373902494
Energy: 1.467603219961307
Energy: 1.3713652583954543
Energy: 1.409476063307685
Energy: 1.3442943388926623
Energy: 1.46760321996373
Energy: 1.3713652583960603
Energy: 1.409476063307685
Energy: 1.2682705162397598
Energy: 1.3610111499772164
Energy: 1.4016757082044256
Energy: 1.3634030038833178
Energy: 1.2682705162403656
Energy: 1.361011149975399
Energy: 1.4016757082044256
Energy: 1.3949366166137795
Energy: 1.288854973505351
Energy: 1.429353961038035
Energy: 1.3178349346336853
Energy: 1.3949366166137795
Energy: 1.2888549735035335
Energy: 1.429353961037429
Energy: 1.260883227612413
Energy: 1.4216122113920566
Energy: 1.3597808796906863
Energy: 1.368030433842416
Energy: 1.2608832276130184
Energy: 1.4216122113920566
Energy: 1.3597808796906863
Energy: 1.3954635785758929
Energy: 1.2879619777232603
Energy: 1.520452482376155
Energy: 1.317578209672446
Energy: 1.3954635785758929
Energy: 1.2879619777202311
Energy: 1.5204524823767607
Energy: 1.260797789463074
Energy: 1.3611363719093008
Energy: 1.341099489624489
Energy: 1.4143267710741947
Energy: 1.2607977894618625
Energy: 1.3611363719086949
Energy: 1.3410994896250947
Energy: 1.3834755503757237
Energy: 1.2914811847050998
Energy: 1.5166203543674537
Energy: 1.317480218330393
Energy: 1.3834755503769354
Energy: 1.2914811847026764
Energy: 1.516620354366848
Energy: 1.260359612829685
Energy: 1.4106148570844896
Energy: 1.3445206721148493
Energy: 1.4106547364500601
Energy: 1.260359612829685
Energy: 1.410614857085701
Energy: 1.3445206721172727
Energy: 1.3833901949063665
Energy: 1.317496071849397
Energy: 1.5169084538750013
Energy: 1.2920105764513719
Energy: 1.3833901949063665
Energy: 1.3174960718487914
Energy: 1.5169084538750013
Energy: 1.260740505026789
Energy: 1.4137530597087402
Energy: 1.3411651548694403
Energy: 1.3614174558106784
Energy: 1.260740505026789
Energy: 1.4137530597075285
Energy: 1.3411651548700465
Energy: 1.3951223667466326
Energy: 1.3173767286886549
Energy: 1.399160924609367
Energy: 1.2890747779548346
Energy: 1.3951223667460269
Energy: 1.317376728688049
Energy: 1.3991609246075498
Energy: 1.2608875112803655
Energy: 1.3680560059954805
Energy: 1.3597055599396617
Energy: 1.421620533229528
Energy: 1.2608875112809714
Energy: 1.368056005996692
Energy: 1.359705559939056
Energy: 1.395054872925268
Energy: 1.3157980673710161
Energy: 1.415609155100193
Energy: 1.288412604326448
Energy: 1.3950548729240564
Energy: 1.3157980673704102
Energy: 1.4156091549742396

minimum gb energy = 1.260359612829685 eV
minimum distance =  2.25189336316742 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.3820422218515915
Energy: 1.4713459420048491
Energy: 1.4208351244922073
Energy: 1.4719200438329099
Energy: 1.3820422218515915
Energy: 1.4713459420014678
Energy: 1.4208351244888262
Energy: 1.4246841967418824
Energy: 1.41122022605725
Energy: 1.4232029512853466
Energy: 1.4108594183536234
Energy: 1.4246841967385013
Energy: 1.411220226050488
Energy: 1.4232029512853466
Energy: 1.3814564244701222
Energy: 1.4014182256120475
Energy: 1.497918620388856
Energy: 1.386222884270789
Energy: 1.381456424466741
Energy: 1.4014182256188095
Energy: 1.497918620388856
Energy: 1.3241840990763305
Energy: 1.3900642369315457
Energy: 1.5146421350499575
Energy: 1.4094021084281299
Energy: 1.3241840990695688
Energy: 1.3900642369315457
Energy: 1.5146421350465764
Energy: 1.4255685189169083
Energy: 1.3467375297778634
Energy: 1.4405811069436698
Energy: 1.3295049873433264
Energy: 1.4255685189101461
Energy: 1.3467375297778634
Energy: 1.4405811069402887
Energy: 1.3232404387557068
Energy: 1.3727804901112053
Energy: 1.4141425625790855
Energy: 1.35500900436519
Energy: 1.3232404387421828
Energy: 1.3727804901145861
Energy: 1.4141425625824668
Energy: 1.37323431035085
Energy: 1.3479250963875957
Energy: 1.4215916638394654
Energy: 1.361724610758329
Energy: 1.37323431035085
Energy: 1.3479250963875957
Energy: 1.4215916638394654
Energy: 1.3245886148103292
Energy: 1.3819280761307888
Energy: 1.4745923275365473
Energy: 1.3460183422708156
Energy: 1.3245886148069481
Energy: 1.381928076137551
Energy: 1.4745923275399284
Energy: 1.3732889002028994
Energy: 1.3502451466158236
Energy: 1.4826875467987173
Energy: 1.3414951202321346
Energy: 1.3732889002062807
Energy: 1.3502451466090615
Energy: 1.4826875468020986
Energy: 1.332298190990118
Energy: 1.3820641537580796
Energy: 1.4465836059380737
Energy: 1.3637843996152903
Energy: 1.332298190993499
Energy: 1.382064153761399
Energy: 1.4465836059346924
Energy: 1.3726166552036667
Energy: 1.3947872793434255
Energy: 1.4867753803826027
Energy: 1.3322798959535664
Energy: 1.3726166551969048
Energy: 1.3947872793434255
Energy: 1.4867753803826027
Energy: 1.3329650432739082
Energy: 1.3322037091100216
Energy: 1.5896876439583079
Energy: 1.3562865052188742
Energy: 1.332965043263765
Energy: 1.332203709123546
Energy: 1.5896876439549272
Energy: 1.4124368402678504
Energy: 1.3801048902491813
Energy: 1.5091561105531959
Energy: 1.353080330710201
Energy: 1.4124368402678504
Energy: 1.380104890255882
Energy: 1.5091561105531959
Energy: 1.425618203528565
Energy: 1.4416361550528354
Energy: 1.5866970389901365
Energy: 1.4461929984125172
Energy: 1.4256182035252456
Energy: 1.4416361550595973
Energy: 1.5866970389901365
Energy: 1.41208536827087
Energy: 1.4382013871293766
Energy: 1.5174211725161464
Energy: 1.4501200404949066
Energy: 1.41208536827087
Energy: 1.4382013871259958
Energy: 1.5174211725161464
Energy: 1.425565901438117
Energy: 1.3444843650646061
Energy: 1.4780342217205171
Energy: 1.3562873389540364
Energy: 1.425565901438117
Energy: 1.3444843650679872
Energy: 1.4780342217238984
Energy: 1.447901469453972
Energy: 1.3804607984010193
Energy: 1.5297231803225295
Energy: 1.3546610386396862
Energy: 1.4479014694505912
Energy: 1.3804607984010193
Energy: 1.5297231803225295
Energy: 1.333091024693608
Energy: 1.3457568104294773
Energy: 1.430748244220732
Energy: 1.3731394585810923
Energy: 1.3330910247003702
Energy: 1.345756810422715
Energy: 1.430748244220732
Energy: 1.4277281856501707
Energy: 1.4071900937265618
Energy: 1.414742257000183
Energy: 1.411078635358778
Energy: 1.4277281856501707
Energy: 1.407190093729943
Energy: 1.4147422569968018
Energy: 1.3390723081480513
Energy: 1.3779084521634153
Energy: 1.4541067279959219
Energy: 1.3484070454379917
Energy: 1.3390723081514324
Energy: 1.3779084521600342
Energy: 1.45410672798916
Energy: 1.330137897964506
Energy: 1.3582874580936872
Energy: 1.4604321029795986
Energy: 1.453061785697563
Energy: 1.330137897961125
Energy: 1.3582874580903062
Energy: 1.4957365652817376
Energy: 1.33944391586861
Energy: 1.3851189477904908
Energy: 1.4353649094658294
Energy: 1.3578168981981273
Energy: 1.33944391586861
Energy: 1.38511894778711
Energy: 1.4353649094658294
Energy: 1.3992389128042557
Energy: 1.344980873517838
Energy: 1.428615113395836
Energy: 1.43304984621512
Energy: 1.3992389128076368
Energy: 1.3449808735144568
Energy: 1.428615113395836
Energy: 1.3556531137219743
Energy: 1.373707292832321
Energy: 1.4171528512426907
Energy: 1.3410212271177901
Energy: 1.3556531137219743
Energy: 1.3737072928390832
Energy: 1.4171528512460718
Energy: 1.3304491732558699
Energy: 1.4107672981452437
Energy: 1.5143807415764268
Energy: 1.4924415881031385
Energy: 1.330449173252489
Energy: 1.4107672981486243
Energy: 1.5143807415764268
Energy: 1.3760244444417116
Energy: 1.4252170844850143
Energy: 1.4869285236059022
Energy: 1.3979439104022668
Energy: 1.3760244444450929
Energy: 1.4252170844850143
Energy: 1.486928523602521
Energy: 1.4185917882301262
Energy: 1.4032130879751197
Energy: 1.5164376759844997
Energy: 1.4968214501851946
Energy: 1.418591788223364
Energy: 1.4032130879683578
Energy: 1.5164376759811184
Energy: 1.358754262569961
Energy: 1.452834627714198
Energy: 1.5206206901771266
Energy: 1.4542235586069332
Energy: 1.358754262576723
Energy: 1.4528346277108166
Energy: 1.5206206901703647
Energy: 1.416303736586479
Energy: 1.3866889213713895
Energy: 1.4651362126602876
Energy: 1.4956109087684604
Energy: 1.41630373658986
Energy: 1.3866889213646276
Energy: 1.4651362126569063
Energy: 1.3606432019183707
Energy: 1.4215426897349597
Energy: 1.4235967500202702
Energy: 1.4034657192200488
Energy: 1.3606432019251327
Energy: 1.4215426897417218
Energy: 1.4235967500270321
Energy: 1.3921025142102939
Energy: 1.3856312831604478
Energy: 1.5443166838569777
Energy: 1.4979166540043183
Energy: 1.392102514206913
Energy: 1.3856312831604478
Energy: 1.5443166838535967
Energy: 1.3458010663506081
Energy: 1.3474467123650402
Energy: 1.4619356463859687
Energy: 1.3416859596057045
Energy: 1.3458010663472273
Energy: 1.3474467123616591
Energy: 1.4619356463893496
Energy: 1.3923339004808633
Energy: 1.3569929830790035
Energy: 1.4142413088911967
Energy: 1.4156717606467841
Energy: 1.392333900484244
Energy: 1.3569929830756222
Energy: 1.4142413088878159
Energy: 1.3289687957655854
Energy: 1.347190744790539
Energy: 1.3843626308044155
Energy: 1.3494698418313211
Energy: 1.3289687957622045
Energy: 1.3471907448006821
Energy: 1.3843626307976533
Energy: 1.3493062277333832
Energy: 1.3216393842432757
Energy: 1.4969484047099388
Energy: 1.4300952659446016
Energy: 1.3493062277333832
Energy: 1.3216393842466565
Energy: 1.49694840471332
Energy: 1.3289074841735344
Energy: 1.3493323071192398
Energy: 1.3818957272181094
Energy: 1.3351217216272997
Energy: 1.328907484180297
Energy: 1.3493323071192398
Energy: 1.3818957272181094
Energy: 1.3491121627145892
Energy: 1.3335571426788848
Energy: 1.4588298535837676
Energy: 1.436944513860124
Energy: 1.34911216271797
Energy: 1.3335571426755037
Energy: 1.458829853587149
Energy: 1.3314554083852752
Energy: 1.331206649572214
Energy: 1.4263534648316027
Energy: 1.3350646358418878
Energy: 1.3314554083920371
Energy: 1.331206649572214
Energy: 1.4263534648316027
Energy: 1.3487592138321862
Energy: 1.3943709767303083
Energy: 1.5496237395298664
Energy: 1.428939371558018
Energy: 1.3487592138254243
Energy: 1.3943709767336896
Energy: 1.5496237395264856
Energy: 1.3293066876061284
Energy: 1.3988456329046128
Energy: 1.4470321405441742
Energy: 1.3900328510815918
Energy: 1.3293066876095097
Energy: 1.3988456329079937
Energy: 1.4470321405441742
Energy: 1.4159387777155235
Energy: 1.408335804486649
Energy: 1.5869695662558176
Energy: 1.4282899029033447
Energy: 1.4159387777189048
Energy: 1.408335804486649
Energy: 1.5869695662558176
Energy: 1.3303915208241117
Energy: 1.4573060150438069
Energy: 1.5377959122408835
Energy: 1.4595633093916938
Energy: 1.3303915208241117
Energy: 1.457306015040426
Energy: 1.5377959122510263
Energy: 1.394289432291435
Energy: 1.4083264140148462
Energy: 1.549742377203248
Energy: 1.4286218394037349
Energy: 1.3942894322948158
Energy: 1.4083264140182274
Energy: 1.54974237721001
Energy: 1.3679073350504045
Energy: 1.382839303529683
Energy: 1.529652688947825
Energy: 1.3585798418726664
Energy: 1.3679073350504045
Energy: 1.3828393035263022
Energy: 1.529652688951206
Energy: 1.3323535435971487
Energy: 1.406565264712384
Energy: 1.5475543423822953
Energy: 1.4430787489456043
Energy: 1.3323535435971487
Energy: 1.406565264712384
Energy: 1.5475543423755331

minimum gb energy = 1.3216393842432757 eV
minimum distance =  2.21751776342507 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.7124392564347972
Energy: 1.214944012787597
Energy: 1.457971298015599
Energy: 1.2149440127883593
Energy: 1.7124392564363218
Energy: 1.457971298015599
Energy: 1.214944012787597
Energy: 1.7047718895196724
Energy: 1.214944012787597
Energy: 1.4579712980140747
Energy: 1.2149440127891216
Energy: 1.70477188951891
Energy: 1.4579712980140747
Energy: 1.214944012787597
Energy: 1.388200480269411
Energy: 1.214944012787597
Energy: 1.4579712980163615
Energy: 1.214944012787597
Energy: 1.3882004803265489
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.3894623097119818
Energy: 1.214944012787597
Energy: 1.457971298015599
Energy: 1.2149440127883593
Energy: 1.389462309449094
Energy: 1.457971298015599
Energy: 1.214944012787597
Energy: 1.4219773479363527
Energy: 1.2149440127883593
Energy: 1.4579712980140747
Energy: 1.214944012786835
Energy: 1.4219773479142463
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.4148918338695717
Energy: 1.2149440127891216
Energy: 1.4579712980163615
Energy: 1.214944012787597
Energy: 1.4148918438572888
Energy: 1.4579712980148365
Energy: 1.2149440127883593
Energy: 1.375085618866691
Energy: 1.214944012787597
Energy: 1.457971298015599
Energy: 1.2149440127883593
Energy: 1.3750856178929292
Energy: 1.4579712980163615
Energy: 1.2149440127891216
Energy: 1.3950619493146132
Energy: 1.2149440127891216
Energy: 1.4579712980140747
Energy: 1.2149440127891216
Energy: 1.395061949475388
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.317909403024747
Energy: 1.2149440127883593
Energy: 1.4579712980163615
Energy: 1.2149440127883593
Energy: 1.317909396319538
Energy: 1.4579712980148365
Energy: 1.2149440127891216
Energy: 1.2543665310530756
Energy: 1.214944012786835
Energy: 1.457971298015599
Energy: 1.2149440127898838
Energy: 1.2543665310500267
Energy: 1.4579712980163615
Energy: 1.214944012787597
Energy: 1.2344986242246079
Energy: 1.2149440127883593
Energy: 1.4579712980140747
Energy: 1.2149440127898838
Energy: 1.2344986653640995
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.2198098176746044
Energy: 1.214944012787597
Energy: 1.4579712980163615
Energy: 1.214944012786835
Energy: 1.219809813985967
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.2147933570700702
Energy: 1.214944012786835
Energy: 1.4579712980163615
Energy: 1.214944012787597
Energy: 1.2147933572795973
Energy: 1.4579712980163615
Energy: 1.2149440127883593
Energy: 1.1753102503203545
Energy: 1.2149440127883593
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.175310250327215
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.1753102503134938
Energy: 1.2149440127906463
Energy: 1.4579712980163615
Energy: 1.214944012787597
Energy: 1.1753102502990103
Energy: 1.4579712980148365
Energy: 1.2149440127891216
Energy: 1.1753102502716022
Energy: 1.2149440127883593
Energy: 1.457971298015599
Energy: 1.2149440127883593
Energy: 1.1753102502898973
Energy: 1.457971298015599
Energy: 1.214944012787597
Energy: 1.1753102502624546
Energy: 1.214944012787597
Energy: 1.4579712980140747
Energy: 1.2149440127883593
Energy: 1.175310250265504
Energy: 1.4579712980140747
Energy: 1.214944012787597
Energy: 1.1753102502403483
Energy: 1.2149440127891216
Energy: 1.4579712980163615
Energy: 1.214944012787597
Energy: 1.1753102502510204
Energy: 1.4579712980148365
Energy: 1.2149440127883593
Energy: 1.1753102502205286
Energy: 1.2149440127883593
Energy: 1.457971298015599
Energy: 1.214944012787597
Energy: 1.1753102502342498
Energy: 1.457971298015599
Energy: 1.2149440127883593
Energy: 1.1753102502174793
Energy: 1.2149440127883593
Energy: 1.4579712980140747
Energy: 1.2149440127891216
Energy: 1.1753102502235777

minimum gb energy = 1.1753102502174793 eV
minimum distance =  2.375213311035 Angstroms
sigma value = 23