Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391808986664
cohesive_energy=4.4503500145001
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6514595872618398e-19, 2.3783350825749596e-19, 2.96389859876928e-19, 3.4647870798566995e-19, 3.90533758890768e-19, 4.2987039960873597e-19, 4.65299331516378e-19, 4.97357283786084e-19, 5.26433585339916e-19, 5.528102192654579e-19, 5.76708285938202e-19, 5.983040247878879e-19, 6.177368251816739e-19, 6.35123646013842e-19, 6.50565424412334e-19, 6.64145473562118e-19, 6.759374935883579e-19, 6.860039693797799e-19, 6.94402579295208e-19, 7.0118459298693e-19, 7.0639166704743e-19, 7.100686624224599e-19, 7.122492248213339e-19, 7.1296860213e-19, 7.12178729049438e-19, 7.095912137855279e-19, 7.04823136122744e-19, 6.97409864837226e-19, 6.86784229400538e-19, 6.722444764469881e-19, 6.52931839300752e-19, 6.27766450910514e-19, 5.954104937868839e-19, 5.54170467227724e-19, 5.01902658896742e-19, 4.35862540219896e-19, 3.5251090301268e-19, 2.47230274215906e-19, 1.1395176895764539e-19, -5.54306652241614e-20, -2.7185572908048597e-19, -5.503236411294899e-19, -9.11733033167406e-19, -1.3857642273390839e-18, -2.0154580967403e-18, -2.8647719304237e-18, -4.03146093353616e-18, -5.66983073769822e-18, -8.033281599343319e-18, -1.1557589541153118e-17, -1.7036424802312198e-17, -2.6023353977745e-17, -4.1855903257269604e-17, -7.26702460236648e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.022155127733668296
Energy: 0.7075791850873054
Energy: 0.7087585328051086
Energy: 1.171971730177716
Energy: 1.0537155160432756
Energy: 0.4576498738616636
Energy: 0.023059633927739857
Energy: 0.12953962203272626
Energy: 1.0525993710510422
Energy: 0.3633129277663645
Energy: 0.7069020223151669
Energy: 0.6903465023180888
Energy: 0.023216247037505352
Energy: 0.1319068005106261
Energy: 0.022765576308911628
Energy: 1.0515371843705503
Energy: 1.0032150844321739
Energy: 1.0055685427259122
Energy: 0.8065807999048107
Energy: 0.12944207655470438
Energy: 0.13128917007055257
Energy: 0.025309168469798114
Energy: 0.7074125898548205
Energy: 1.0032875873395843
Energy: 1.1720898039078385
Energy: 1.0532649026122904
Energy: 0.12956011132239292
Energy: 0.023161169371172224
Energy: 0.1296686392912559
Energy: 1.0545106228114816
Energy: 0.36307535552665526
Energy: 0.7076797487916611
Energy: 0.8017862779191185
Energy: 0.022748434792087092
Energy: 0.13049593049604816
Energy: 0.022560735203142508
Energy: 0.6911508062009831
Energy: 1.0033362342163525
Energy: 1.0049840477736156
Energy: 0.8096509647483998
Energy: 0.12924839662394064
Energy: 0.13079755405463647

minimum gb energy = 0.022155127733668296 eV
minimum distance =  2.46827091477743 Angstroms
sigma value = 5


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

Energy: 1.4706624661281626
Energy: 1.469724086173519
Energy: 1.468216434185049
Energy: 1.451725845516304
Energy: 1.5533022573883497
Energy: 1.3788482729829
Energy: 1.3146953477612622
Energy: 1.3031309621848117
Energy: 1.4399216331963842
Energy: 1.3450455725213022
Energy: 1.4103353097974642
Energy: 1.4325749439119515
Energy: 1.3452189289848653
Energy: 1.4103569206824647
Energy: 1.4853143605111283
Energy: 1.4226890817395996
Energy: 1.5654933176424988
Energy: 1.3215030044181646
Energy: 1.3700016614704147
Energy: 1.5544334345174462
Energy: 1.4688894066081724
Energy: 1.337588921712649
Energy: 1.4236484431960312
Energy: 1.3906491218803483
Energy: 1.460261016666847
Energy: 1.4662894427631177
Energy: 1.4088462504877823
Energy: 1.4963579725640528
Energy: 1.3691192335360112
Energy: 1.4326723319864298
Energy: 1.3876024204310036
Energy: 1.3536443834781458
Energy: 1.397159954738766
Energy: 1.5087109871377196
Energy: 1.3300234468179544
Energy: 1.405616090095595
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Energy: 1.336334779668096
Energy: 1.3903671741375174
Energy: 1.3836082814181685
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Energy: 1.3604393675604793
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Energy: 1.4044908792725375
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Energy: 1.4290855554202593
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Energy: 1.3466611842373264
Energy: 1.4109288606346848
Energy: 1.4448169532895925
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Energy: 1.4448831438683147
Energy: 1.4846691918316315
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Energy: 1.4447730787405457
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Energy: 1.431031631597525
Energy: 1.479576644960098
Energy: 1.4767545961668385
Energy: 1.4253376993197888
Energy: 1.4526104740125
Energy: 1.3319017579255885
Energy: 1.4663296653244895
Energy: 1.3769477869061513
Energy: 1.3822737067430084
Energy: 1.3609848855653006
Energy: 1.4679003071209529
Energy: 1.3512128458422759
Energy: 1.4962590068635713
Energy: 1.3914274477063053
Energy: 1.3655578235621697
Energy: 1.4224895092984244
Energy: 1.4679737913095994
Energy: 1.2931709900783315
Energy: 1.4895610068457468
Energy: 1.3609131340149134
Energy: 1.4484906398921504
Energy: 1.4409081905786825
Energy: 1.361597353640685
Energy: 1.3671218574544686
Energy: 1.4996026887540628
Energy: 1.3772769088615484
Energy: 1.5101629292051206
Energy: 1.4888643163652258
Energy: 1.4259301055914768
Energy: 1.4990091881558756
Energy: 1.3642409678729481
Energy: 1.3528299571738673
Energy: 1.4389107612969083
Energy: 1.4455274189488099
Energy: 1.4845522167595309
Energy: 1.4087700751783783
Energy: 1.3705969877740791
Energy: 1.40977938163787
Energy: 1.3107166687588878
Energy: 1.3832799662583526
Energy: 1.4636049879827568
Energy: 1.4644037096995008
Energy: 1.4568248543403999
Energy: 1.402055868717322
Energy: 1.3508705684541955

minimum gb energy = 1.2931709900783315 eV
minimum distance =  2.23841338699701 Angstroms
sigma value = 401


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

Energy: 1.4313338720659965
Energy: 1.6224751028566229
Energy: 1.401499274912823
Energy: 1.313491885315341
Energy: 1.4829922651594425
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Energy: 1.3001492158829004
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Energy: 1.3509301348128573
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Energy: 1.3257209328683324
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Energy: 1.3091028248122087
Energy: 1.5110993187861235
Energy: 1.3904859706517618
Energy: 1.296709629029354
Energy: 1.362106568535649
Energy: 1.3688659891971835
Energy: 1.3788806876419804
Energy: 1.3059081972139333
Energy: 1.2990620542117701
Energy: 1.4932998385448928
Energy: 1.3481855273250816
Energy: 1.415242410972197
Energy: 1.2955790295375618
Energy: 1.3389565099627203
Energy: 1.3290659933710054
Energy: 1.4320710806091486
Energy: 1.3467168987488116
Energy: 1.4069661626570298
Energy: 1.3941718604541526
Energy: 1.4555797634919223
Energy: 1.3415929748757616
Energy: 1.294056946542309
Energy: 1.3330976471171567
Energy: 1.4433186470196382
Energy: 1.3870456187383309
Energy: 1.3933923105932944
Energy: 1.3204457718745901
Energy: 1.302059528952893
Energy: 1.3195714563284178
Energy: 1.322804570100047
Energy: 1.3880509764263838
Energy: 1.3295749018048078
Energy: 1.3415980975991582
Energy: 1.436480846974703
Energy: 1.3451817977452176
Energy: 1.3751639781609875
Energy: 1.349220579551071
Energy: 1.3448046135701341
Energy: 1.3359638041002293
Energy: 1.3623244597697957
Energy: 1.431788996111743
Energy: 1.3251033256753004
Energy: 1.5332897960523295
Energy: 1.3430173209601683
Energy: 1.3850213356686574
Energy: 1.3463960610568553
Energy: 1.4212907855554646
Energy: 1.309994343227874
Energy: 1.4017673687026395
Energy: 1.3499441788339968
Energy: 1.3016876059566758
Energy: 1.4370226863936506
Energy: 1.5328705551546813
Energy: 1.429755116118722
Energy: 1.3271144443336427
Energy: 1.3376028242206308
Energy: 1.34268125176495
Energy: 1.4000247586446153
Energy: 1.4913387837600225
Energy: 1.282070778560009
Energy: 1.3860475614332706
Energy: 1.3579624209261787
Energy: 1.3644278511437289
Energy: 1.3229653981752463
Energy: 1.2964761452237532
Energy: 1.4345005599767504
Energy: 1.5220404892493233
Energy: 1.4242493992335516
Energy: 1.4094293201043988
Energy: 1.3853024431912502
Energy: 1.3119915933329693
Energy: 1.5372326773693208
Energy: 1.3617087336704083
Energy: 1.3053248230599137
Energy: 1.3532922786816437
Energy: 1.3165517729734564
Energy: 1.3414422448459102
Energy: 1.308763968776903
Energy: 1.2949820615357608
Energy: 1.501553976393213
Energy: 1.5072516616271763
Energy: 1.3885022346810103
Energy: 1.3053375167828152
Energy: 1.3431165686394726
Energy: 1.3089894634884023
Energy: 1.3213541360086676
Energy: 1.4119813751746753
Energy: 1.4121211436010994
Energy: 1.4707357348700945
Energy: 1.3690138144386483
Energy: 1.3643206343581087
Energy: 1.3283841758052697
Energy: 1.353216274341688
Energy: 1.4450463202274686
Energy: 1.3944724218700246
Energy: 1.3815041496116487
Energy: 1.4094447352360147
Energy: 1.3454526086682506
Energy: 1.4930553611150652
Energy: 1.3615657903621965
Energy: 1.3813480176396657
Energy: 1.3172937561666243
Energy: 1.399770097567462
Energy: 1.4015654344145219
Energy: 1.3461396826801066
Energy: 1.365895806307838
Energy: 1.3568493066971388
Energy: 1.3898520321972891

minimum gb energy = 1.266395528038039 eV
minimum distance =  2.23822149986998 Angstroms
sigma value = 311


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

Energy: 1.3916989579930923
Energy: 1.6392255362722332
Energy: 1.468522317104166
Energy: 1.3186123448244236
Energy: 1.4326014931469622
Energy: 1.3498553547019625
Energy: 1.4841502131708408
Energy: 1.3321631013339128
Energy: 1.3233714286897582
Energy: 1.2980210394130767
Energy: 1.3534696211689148
Energy: 1.3221436411545053
Energy: 1.2939504705160132
Energy: 1.3050300925108296
Energy: 1.3078184864056417
Energy: 1.3319766843590963
Energy: 1.313343944829168
Energy: 1.3854381244238705
Energy: 1.322183382560032
Energy: 1.312310950059592
Energy: 1.3125862266481252
Energy: 1.3044013966050536
Energy: 1.3701660047302655
Energy: 1.3017020983640002
Energy: 1.3202447263964032
Energy: 1.360716955037469
Energy: 1.3290467450473173
Energy: 1.3491999986000207
Energy: 1.3105026912953308
Energy: 1.3780724072636792
Energy: 1.3162927015228947
Energy: 1.4678032233473466
Energy: 1.328415681513425
Energy: 1.4473208808315654
Energy: 1.3179241954653482
Energy: 1.30060989641998
Energy: 1.3041663086097308
Energy: 1.3248398511028248
Energy: 1.294982043905765
Energy: 1.334246564599919
Energy: 1.296337725900275
Energy: 1.347455741631702
Energy: 1.3899954441034086
Energy: 1.3881873639087308
Energy: 1.4483801852777292
Energy: 1.3093962527699943
Energy: 1.4841884539674446
Energy: 1.3616330092760707
Energy: 1.4829053323308803
Energy: 1.3319067674167189
Energy: 1.3272646009098832
Energy: 1.3246573864694562
Energy: 1.3524939237863773
Energy: 1.3215293729030215
Energy: 1.395884826280403
Energy: 1.3274251412470328
Energy: 1.4272165575398095
Energy: 1.3110322958924678
Energy: 1.2839017442764558
Energy: 1.3412637138558123
Energy: 1.3219240178472578
Energy: 1.307707540990555
Energy: 1.3088943270112299
Energy: 1.303890561950842
Energy: 1.3031309009318148
Energy: 1.30186054177607
Energy: 1.3235570864495587
Energy: 1.3609297433214447
Energy: 1.3253304579603726
Energy: 1.3336211472683372
Energy: 1.4286660037048546
Energy: 1.394229801638859
Energy: 1.3263476587912832
Energy: 1.470723386814852
Energy: 1.3265833065182675
Energy: 1.4798881675579025
Energy: 1.36154519445055
Energy: 1.3006947884691942
Energy: 1.3032516421192302
Energy: 1.3278754345811123
Energy: 1.3138909086204635
Energy: 1.306158328575998
Energy: 1.2968810813283929
Energy: 1.343481758942639
Energy: 1.3913088438375687
Energy: 1.3522816095919843
Energy: 1.4479929144701802
Energy: 1.367534272639673
Energy: 1.4289277366231252
Energy: 1.358599829047647
Energy: 1.3805175469907613
Energy: 1.331296687240136
Energy: 1.3483473266336223
Energy: 1.358406764978211
Energy: 1.3575856276008096
Energy: 1.3213922281060322
Energy: 1.3932139628437865
Energy: 1.3510352212740788
Energy: 1.4236570743890908
Energy: 1.311629082490493
Energy: 1.3616009067437669
Energy: 1.3067800726941823
Energy: 1.334573364770314
Energy: 1.3141682746927061
Energy: 1.3412861817649158
Energy: 1.3035143117869494
Energy: 1.3043172521616873
Energy: 1.3025403805327818
Energy: 1.3671622036047617
Energy: 1.3224813728546314
Energy: 1.2833714527508224
Energy: 1.3257105392290431
Energy: 1.4280263343365598
Energy: 1.4636123026712375
Energy: 1.3414336472829453
Energy: 1.4996160930804816
Energy: 1.3217504253536856
Energy: 1.42094197408895
Energy: 1.308143444594197
Energy: 1.2919365721950562
Energy: 1.3024611857667483
Energy: 1.3176573540239525
Energy: 1.3348366382695005
Energy: 1.3022834003466246
Energy: 1.3113944496680348
Energy: 1.3425915290821449
Energy: 1.3903298246712996
Energy: 1.295453652069151
Energy: 1.447727058263852
Energy: 1.367568640526233
Energy: 1.4299275947519616
Energy: 1.3594429020817695
Energy: 1.3368301887032794
Energy: 1.3939368891058141
Energy: 1.3495936074741437
Energy: 1.3582134673118043
Energy: 1.3561571516500004
Energy: 1.3938570536631674
Energy: 1.3906367935788493
Energy: 1.3729181758386877
Energy: 1.3316787102331302
Energy: 1.3096417168584373
Energy: 1.3317794026457437
Energy: 1.3088322547822553
Energy: 1.3517660972812104
Energy: 1.3265503829495897
Energy: 1.3415047098181565
Energy: 1.3055967475255823
Energy: 1.3026350624946412
Energy: 1.303642480420935
Energy: 1.3198318150723518
Energy: 1.3273635832693407
Energy: 1.2842210517332728
Energy: 1.3248905270091
Energy: 1.4303711311211296
Energy: 1.3672967871148565
Energy: 1.4410024493156766
Energy: 1.458248947271835
Energy: 1.3418951968784814
Energy: 1.4206557317114954
Energy: 1.3075999314001852
Energy: 1.3987901041300321
Energy: 1.3027299933394416
Energy: 1.3156043136738311
Energy: 1.334497257023683
Energy: 1.3105366251842558
Energy: 1.3112489075961773
Energy: 1.3425557584681025
Energy: 1.4750699266136609
Energy: 1.3212920631253402
Energy: 1.44784357693469
Energy: 1.3154111260791388
Energy: 1.3541875880705514
Energy: 1.36330556859
Energy: 1.3712368219120343
Energy: 1.333469162627802
Energy: 1.4081808872245496
Energy: 1.3446206459693806
Energy: 1.3614434288671344
Energy: 1.3395485571816652
Energy: 1.4437062474622657
Energy: 1.346423235829341
Energy: 1.3123905205511837
Energy: 1.3141420003928104
Energy: 1.3311909834373412
Energy: 1.2978249965740105
Energy: 1.3569247573383207
Energy: 1.314271729979672
Energy: 1.345733546291849
Energy: 1.329332855894823
Energy: 1.3031192302068453
Energy: 1.3594365086583646
Energy: 1.3141453820162865
Energy: 1.3622616774276288
Energy: 1.284483288079105
Energy: 1.3234342669002175
Energy: 1.430493805673498
Energy: 1.353498763479186
Energy: 1.322201919866315
Energy: 1.458988498471431
Energy: 1.3416025820041462
Energy: 1.482581642364155
Energy: 1.3265656713115361
Energy: 1.3960838295209919
Energy: 1.3031934090335262
Energy: 1.3974323144162204
Energy: 1.4090128104306532
Energy: 1.4298153447010513
Energy: 1.3400389665588655
Energy: 1.3443098786495744
Energy: 1.3928502347871727
Energy: 1.319972740971072
Energy: 1.2791617492792475
Energy: 1.3147553315299503
Energy: 1.3037381668576091
Energy: 1.28907008178712
Energy: 1.3440288916922478
Energy: 1.3313679594079815
Energy: 1.3453843043676734
Energy: 1.3451652349876377
Energy: 1.3469950903335453
Energy: 1.3403900115368341
Energy: 1.3801909326762976
Energy: 1.3515289367266834
Energy: 1.306108255140437
Energy: 1.2950943253550846
Energy: 1.3543324338771217
Energy: 1.2978050446627827
Energy: 1.3685793216697306
Energy: 1.3157542931393698
Energy: 1.3783912435229209
Energy: 1.330420008178618
Energy: 1.3029466499753792
Energy: 1.3099532039001633
Energy: 1.295964358364624
Energy: 1.3712933125042621
Energy: 1.332634616951552
Energy: 1.318340393509712
Energy: 1.3005610821069848
Energy: 1.3288137002538227
Energy: 1.3360656613138588
Energy: 1.461248880629862
Energy: 1.3422779025096456
Energy: 1.4286697489830318
Energy: 1.3886197426753792
Energy: 1.3962304915831578
Energy: 1.3033425598043038
Energy: 1.3956067489884203
Energy: 1.323833923763734
Energy: 1.4305017153651027
Energy: 1.357707888120817
Energy: 1.313432798587734

minimum gb energy = 1.2791617492792475 eV
minimum distance =  2.26883035578371 Angstroms
sigma value = 39


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

Energy: 1.261504537499541
Energy: 1.3951448273350937
Energy: 1.6130776526050492
Energy: 1.4924665031877988
Energy: 1.40710230596105
Energy: 1.4207762638509558
Energy: 1.2245375391864948
Energy: 1.3161603255560501
Energy: 1.3191560265278675
Energy: 1.3905557515447353
Energy: 1.235604729150975
Energy: 1.2500140997082028
Energy: 1.31373223108739
Energy: 1.4003186257588858
Energy: 1.3145710399812314
Energy: 1.2879434620493746
Energy: 1.418073922203906
Energy: 1.236650458012301
Energy: 1.248851978171503
Energy: 1.3400587780282942
Energy: 1.3946951653340482
Energy: 1.3018166980008943
Energy: 1.236479194450117
Energy: 1.3384763939366198
Energy: 1.2318316302479702
Energy: 1.2552153696849282
Energy: 1.3917985119871352
Energy: 1.4003484983245285
Energy: 1.3438441904157068
Energy: 1.246480538778137
Energy: 1.352332949748792
Energy: 1.3492721739840114
Energy: 1.291030369446892
Energy: 1.4248767154621582
Energy: 1.3171444846497598
Energy: 1.2226054351455113
Energy: 1.2482146314707414
Energy: 1.305860353605745
Energy: 1.469659763142317
Energy: 1.3325144172474772
Energy: 1.3338922227644736
Energy: 1.3309591893192305
Energy: 1.315250876924901
Energy: 1.3322375422347073
Energy: 1.2927512481953412
Energy: 1.4729738417185334
Energy: 1.2248435698413815
Energy: 1.2244535841856399
Energy: 1.4948866783614476
Energy: 1.2237125327366343
Energy: 1.3369417177072465
Energy: 1.5815405118386667
Energy: 1.318166125605098
Energy: 1.3303493357864977
Energy: 1.3890453270579943
Energy: 1.3311328765579586
Energy: 1.223517203937602
Energy: 1.3375369407630155
Energy: 1.5929877229014398
Energy: 1.22912839517097
Energy: 1.3729108007845776
Energy: 1.4005461478741261
Energy: 1.3297866105365779
Energy: 1.4040179643118973
Energy: 1.3180146539937403
Energy: 1.3894250689746552
Energy: 1.2358289435047216
Energy: 1.2480086010988605
Energy: 1.3122563925824426
Energy: 1.3930184815344995
Energy: 1.3000280495906305
Energy: 1.233698682093461
Energy: 1.3861268673617215
Energy: 1.2273480722953525
Energy: 1.2446674824573816
Energy: 1.3341806595642154
Energy: 1.3991423889599806
Energy: 1.341602732765876
Energy: 1.2486475052136243
Energy: 1.3380762806828468
Energy: 1.2904546617308288
Energy: 1.2364703299642477
Energy: 1.3928051085078592
Energy: 1.332202476692308
Energy: 1.2252172277636852
Energy: 1.245897527010676
Energy: 1.3259003509802985
Energy: 1.3112170034193469
Energy: 1.3309999881726213
Energy: 1.420433225139693
Energy: 1.314370675435414
Energy: 1.3898685641110184
Energy: 1.227105557258487
Energy: 1.3486693880822842
Energy: 1.4676932568456535
Energy: 1.2238360690529453
Energy: 1.224998468511746
Energy: 1.4017641581575544
Energy: 1.2240847999315143
Energy: 1.3192115924525256
Energy: 1.2924964316701342
Energy: 1.4687107822066403
Energy: 1.2230745062209993
Energy: 1.224549651619076
Energy: 1.3308963222744774
Energy: 1.2218854372424368
Energy: 1.322557504062003
Energy: 1.5782210681224145
Energy: 1.3058299794248691
Energy: 1.3883928659515394
Energy: 1.4207752751708382
Energy: 1.2248263640448034
Energy: 1.315384035965823
Energy: 1.3196595910265743
Energy: 1.3902723848026746
Energy: 1.2355169226277076
Energy: 1.2495651051517085
Energy: 1.3134931468402513
Energy: 1.3993876718248337
Energy: 1.3152941723486495
Energy: 1.2876835400589812
Energy: 1.418406295471953
Energy: 1.2366862688808222
Energy: 1.2491836007160115
Energy: 1.34032918124875
Energy: 1.3951454227216957
Energy: 1.3009991160318668
Energy: 1.2393530735487341
Energy: 1.3381087912188576
Energy: 1.2267063453855478
Energy: 1.2511274864535675
Energy: 1.3918020538613411
Energy: 1.4010869114353024
Energy: 1.3438617544208271
Energy: 1.2469641030619365
Energy: 1.3511072782482245
Energy: 1.3051572896220305
Energy: 1.251116319821233
Energy: 1.424683257840827
Energy: 1.320293862210406
Energy: 1.222610999196603
Energy: 1.2513968234139243
Energy: 1.3535956615641653
Energy: 1.4683412927534305
Energy: 1.320329881201847
Energy: 1.224534694210125
Energy: 1.3295037609416578
Energy: 1.3143955390887672
Energy: 1.3189132320427774
Energy: 1.2934246670258873
Energy: 1.5142409877801237
Energy: 1.2244419500541337
Energy: 1.2266088490654368
Energy: 1.411082623738812
Energy: 1.223893262739976
Energy: 1.3370308468439922
Energy: 1.5812316150613124
Energy: 1.3174412434677998
Energy: 1.3938831757459516
Energy: 1.3902491291128418
Energy: 1.3408475751793114
Energy: 1.2237743285051987
Energy: 1.3376827461909182
Energy: 1.5930272704796222
Energy: 1.2285928473002496
Energy: 1.3728173196635047
Energy: 1.3919650301837605
Energy: 1.328823936912059
Energy: 1.4037062037756032
Energy: 1.3177033405661924
Energy: 1.3896178014355827
Energy: 1.2363367627190318
Energy: 1.2479327990537759
Energy: 1.3127819317559044
Energy: 1.3925657891098313
Energy: 1.300332100789435
Energy: 1.2295431416096168
Energy: 1.3858709101728437
Energy: 1.2279916656169072
Energy: 1.2447210121490977
Energy: 1.3063622644689243
Energy: 1.398687154694266
Energy: 1.3420769674476105
Energy: 1.2491701912814095
Energy: 1.3385258077763207
Energy: 1.2902518111543615
Energy: 1.2526636218428076
Energy: 1.3924465737176586
Energy: 1.3319666051574508
Energy: 1.2255686400545587
Energy: 1.2456980785067857
Energy: 1.3261107884780852
Energy: 1.3111438732264655
Energy: 1.3303411516115617
Energy: 1.4202414060751134
Energy: 1.3139661712211022
Energy: 1.3902019429427785
Energy: 1.2259142361098088
Energy: 1.3487243224826837
Energy: 1.467887913969002
Energy: 1.2236768858338163
Energy: 1.2250305469560003
Energy: 1.4013259721458875
Energy: 1.224240720850774
Energy: 1.3201994938213557
Energy: 1.292296109219639
Energy: 1.4586701107702884
Energy: 1.2236820301704994
Energy: 1.2244730388911549
Energy: 1.3309726971893383

minimum gb energy = 1.2218854372424368 eV
minimum distance =  2.24231627759305 Angstroms
sigma value = 21


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

Energy: 1.5719844715853384
Energy: 1.5541394267639326
Energy: 1.3105138428393823
Energy: 1.4089171454572396
Energy: 1.3943845366107215
Energy: 1.3781955495386629
Energy: 1.4449044536272866
Energy: 1.2603452036562774
Energy: 1.2458356794818806
Energy: 1.2826249940531804
Energy: 1.566450457623994
Energy: 1.5312462858719071
Energy: 1.310461876109556
Energy: 1.4634637977214557
Energy: 1.2535006506592798
Energy: 1.246457424228944
Energy: 1.3332626290423581
Energy: 1.5300083618042808
Energy: 1.5216626768907213
Energy: 1.280204302590223
Energy: 1.445800797262349
Energy: 1.4038334154124144
Energy: 1.431762010323556
Energy: 1.397028464279508
Energy: 1.3994294403078633
Energy: 1.256620192901745
Energy: 1.4051376972935592
Energy: 1.4127035867932887
Energy: 1.3102275003214368
Energy: 1.3082901157735125
Energy: 1.2674837644633241
Energy: 1.279386705186007
Energy: 1.267760354377582
Energy: 1.3642758095056027
Energy: 1.3252531248602304
Energy: 1.273693947514504
Energy: 1.2600407547752592
Energy: 1.3969508823993604
Energy: 1.277974011326693
Energy: 1.3632196865815922
Energy: 1.2949570020990804
Energy: 1.2859871884634446
Energy: 1.3416827701628466
Energy: 1.2967690732380013
Energy: 1.3803706937359534
Energy: 1.249579595012628
Energy: 1.2889375468171778
Energy: 1.2739307289588377
Energy: 1.3224200574266305
Energy: 1.379622705514229
Energy: 1.2500335843937425
Energy: 1.3349942211000676
Energy: 1.4150931959657813
Energy: 1.3952747431859
Energy: 1.3255704658330512
Energy: 1.2861107432016263
Energy: 1.3773387137549447
Energy: 1.2484646139227547
Energy: 1.4628219715732058
Energy: 1.437462814941703
Energy: 1.466984036367916
Energy: 1.3990046549945296
Energy: 1.3003944382544486
Energy: 1.278249171705311
Energy: 1.5166170719486378
Energy: 1.3172014943150252
Energy: 1.4105513619220726
Energy: 1.2651970167898874
Energy: 1.3888250380056235
Energy: 1.4737540112318483
Energy: 1.364014499742275
Energy: 1.3686621339601763
Energy: 1.3271674435492589
Energy: 1.2626542642434881
Energy: 1.3546621390953253
Energy: 1.2727313696462639
Energy: 1.326249312627893
Energy: 1.3788533495298194
Energy: 1.2453588241448152
Energy: 1.4101478218704706
Energy: 1.435364104727946
Energy: 1.5100793331608846
Energy: 1.3782845657385303
Energy: 1.4644615105265646
Energy: 1.2726209218405875
Energy: 1.386920087234383
Energy: 1.5273752919880133
Energy: 1.4074812077756247
Energy: 1.2965294994874172
Energy: 1.3788915073004964
Energy: 1.4576163778985212
Energy: 1.270778231315439
Energy: 1.3867793176660177
Energy: 1.2805095388619911
Energy: 1.29337840161602
Energy: 1.2278383852965005
Energy: 1.3338900950745858
Energy: 1.5734768378058437
Energy: 1.3812149350974403
Energy: 1.2456300924369963
Energy: 1.3258366868934783
Energy: 1.5343356484445103
Energy: 1.5599915221299236
Energy: 1.2780415481037977
Energy: 1.4700040952225868
Energy: 1.465919276926788
Energy: 1.3071398021575658
Energy: 1.3970618550803835
Energy: 1.255361718755267
Energy: 1.2225468406440445
Energy: 1.3359693832381996
Energy: 1.321038703122431
Energy: 1.2806707159184414
Energy: 1.358401055855647
Energy: 1.3808907827420636
Energy: 1.2823923935025032
Energy: 1.2271488428572872
Energy: 1.522456251439034
Energy: 1.2872012116382017
Energy: 1.2712016134230582
Energy: 1.2452121383879633
Energy: 1.2670183546033325
Energy: 1.5136913254596718
Energy: 1.3636930655851205
Energy: 1.30191014346745
Energy: 1.3252601917165099
Energy: 1.272326645284791
Energy: 1.334148702185586
Energy: 1.383832635369643
Energy: 1.2424844033336009
Energy: 1.2892398830471181
Energy: 1.2888400013390966
Energy: 1.2706760759163558
Energy: 1.3175606616893485
Energy: 1.2818997992857908
Energy: 1.3639159625451147
Energy: 1.2346976189153203
Energy: 1.2471758498192835
Energy: 1.2849003908782977
Energy: 1.2878715289787328
Energy: 1.3784381696006593
Energy: 1.3348732631724693
Energy: 1.5702759550663203
Energy: 1.5000243636154567
Energy: 1.5315084616779855
Energy: 1.3637001156599686
Energy: 1.3538166332622983
Energy: 1.2776747190030464
Energy: 1.28039642650964
Energy: 1.321907293323786
Energy: 1.3329280272116493
Energy: 1.2272411063872473
Energy: 1.4261166983796523
Energy: 1.3356176817110224
Energy: 1.3994502284927446
Energy: 1.4156548238259508
Energy: 1.5330378997272922
Energy: 1.3298045627107025
Energy: 1.2807449757021163
Energy: 1.3466000621061767
Energy: 1.3753559893580811
Energy: 1.3832962464070937
Energy: 1.276456526744864
Energy: 1.3190095238559632
Energy: 1.3456718800142304
Energy: 1.5476932905093106
Energy: 1.4983793858993302
Energy: 1.6277844340417342
Energy: 1.2706998486363732
Energy: 1.3974787592323432
Energy: 1.5106956681397736
Energy: 1.2948795474187966
Energy: 1.2673055276281722
Energy: 1.346585344337188
Energy: 1.572880662741026

minimum gb energy = 1.2225468406440445 eV
minimum distance =  2.21759697561905 Angstroms
sigma value = 113


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

Energy: 1.4781060327461077
Energy: 1.7449223429478815
Energy: 1.5510708116588816
Energy: 1.5866918004793589
Energy: 1.566026718596184
Energy: 1.5120469874572458
Energy: 1.6847148374193133
Energy: 1.594992031274589
Energy: 1.493289511748566
Energy: 1.6145542882081887
Energy: 1.6230943361294954
Energy: 1.68976537503123
Energy: 1.6060279705009863
Energy: 1.412532436638316
Energy: 1.713073319446008
Energy: 1.5032180593931714
Energy: 1.526257763520085
Energy: 1.5778011656934616
Energy: 1.5728046029934424
Energy: 1.548662226344705
Energy: 1.5214259831461068
Energy: 1.5167256568962202
Energy: 1.5945003427133557
Energy: 1.505739233303096
Energy: 1.5109149298805886
Energy: 1.557373232615189
Energy: 1.521702255182668
Energy: 1.5317844788549542
Energy: 1.4825194867328928
Energy: 1.556248915560736
Energy: 1.4987679490699428
Energy: 1.4971299841246168
Energy: 1.469768851362289
Energy: 1.5514226228655295
Energy: 1.5206245397438738
Energy: 1.3830730185482838
Energy: 1.4900462241974832
Energy: 1.4352310932753802
Energy: 1.531909331583957
Energy: 1.4084028947084333
Energy: 1.407116355120408
Energy: 1.5068742776549737
Energy: 1.3527947317213787
Energy: 1.44650675181393
Energy: 1.4978598475473675
Energy: 1.5067213362311884
Energy: 1.5009904786550088
Energy: 1.4464799389074285
Energy: 1.573290433539889
Energy: 1.3681904900750672
Energy: 1.3788527268425985
Energy: 1.4628090520571815
Energy: 1.5720231245045315
Energy: 1.5777454453744368
Energy: 1.5329458195865577
Energy: 1.4073302342351757
Energy: 1.420044517243457
Energy: 1.4534544127599318
Energy: 1.4651645085872473
Energy: 1.4280703551731442
Energy: 1.4504572656360368
Energy: 1.4129221840860573
Energy: 1.411230909438365
Energy: 1.4176819586931857
Energy: 1.4797548943684438
Energy: 1.4992194347016714
Energy: 1.3535140822700447
Energy: 1.3939084552770002
Energy: 1.3186097889650397
Energy: 1.4129883125191056
Energy: 1.4512295696562276
Energy: 1.4148796415258098
Energy: 1.4591707525591235
Energy: 1.4324585427134462
Energy: 1.4358085734410313
Energy: 1.447202202021631
Energy: 1.470893312324719
Energy: 1.4293365442518153
Energy: 1.308511560859952
Energy: 1.5417397195513995
Energy: 1.5058509560130409
Energy: 1.4556725627701788
Energy: 1.448585091300708
Energy: 1.3876325941861558
Energy: 1.5469377000921973
Energy: 1.334318158142656
Energy: 1.4584956213951723
Energy: 1.490908024097286
Energy: 1.5743781581648975
Energy: 1.5113756920059234
Energy: 1.386127219881676
Energy: 1.4593715478703848
Energy: 1.4320165991783047
Energy: 1.4507470528621997
Energy: 1.4185518494332428
Energy: 1.3434135503243765
Energy: 1.3867258487702814
Energy: 1.4299735532079307
Energy: 1.4018386521919068
Energy: 1.505823002206649
Energy: 1.4167648349876887
Energy: 1.4453389684735394
Energy: 1.4857314204094325
Energy: 1.4189398953154706
Energy: 1.4369399041333895
Energy: 1.4777683760684615
Energy: 1.4744046442589789
Energy: 1.5446656039510338
Energy: 1.3886826993727779
Energy: 1.4827931119284572
Energy: 1.54476286187019
Energy: 1.4983742120231718
Energy: 1.4714166712459447
Energy: 1.460733108784778
Energy: 1.4570983540597087
Energy: 1.5149576030645757
Energy: 1.494800968618367
Energy: 1.4993309831119828
Energy: 1.6172604089699973
Energy: 1.4486764670875116
Energy: 1.486973869790797
Energy: 1.4533529689047526
Energy: 1.4991535864393049
Energy: 1.4900890780810978
Energy: 1.5243718956568542
Energy: 1.5014833285394389
Energy: 1.5407426363491623
Energy: 1.522845621300899
Energy: 1.5219078468703744
Energy: 1.5517066175844452
Energy: 1.66865869807373
Energy: 1.5478383813026206
Energy: 1.483689962079717
Energy: 1.5147051242247227
Energy: 1.6923595253031323
Energy: 1.5075959990882342
Energy: 1.5925886198890948
Energy: 1.5120869180673595
Energy: 1.5089188050166438
Energy: 1.6186244032745212
Energy: 1.6745729176504254
Energy: 1.479489808300326
Energy: 1.5256112967603415
Energy: 1.55443334033984
Energy: 1.5444718543576503
Energy: 1.4746494406922097
Energy: 1.625041253842423
Energy: 1.592564653892004
Energy: 1.453804717434569
Energy: 1.5186726807639155
Energy: 1.706807074968741
Energy: 1.5302426216762015
Energy: 1.5010196895825043
Energy: 1.5392240650728877
Energy: 1.4851671297426612
Energy: 1.5848294053631669
Energy: 1.6283275800382206
Energy: 1.5851563804558113
Energy: 1.565816187910839
Energy: 1.5222070111494388
Energy: 1.6265533314790401
Energy: 1.6601636751157292
Energy: 1.5084389452145168
Energy: 1.5806029999540723
Energy: 1.5920150569633893
Energy: 1.6898679178052978
Energy: 1.5754134489349358
Energy: 1.559250513717005
Energy: 1.4679448739553922
Energy: 1.5312137401562185
Energy: 1.5042051701730375
Energy: 1.5755835328954888
Energy: 1.487656329588679
Energy: 1.5490510045007486
Energy: 1.5995909494200642
Energy: 1.5176650003406424
Energy: 1.6469086772492645
Energy: 1.504645902475172
Energy: 1.5128430252754033
Energy: 1.5565398755946505
Energy: 1.5113567360858962
Energy: 1.5497451146451746
Energy: 1.5183931222767513
Energy: 1.559585913509174
Energy: 1.5070330999751254
Energy: 1.5013012512725277
Energy: 1.526499250354366
Energy: 1.5640375330793803
Energy: 1.5424421362595324
Energy: 1.3800553384772576
Energy: 1.4948710036238146
Energy: 1.504968579716136
Energy: 1.526663897795456
Energy: 1.4937327620309628
Energy: 1.4783215040467075
Energy: 1.4936213617327727
Energy: 1.3539496185250568
Energy: 1.4453697174863027
Energy: 1.3850807637453073
Energy: 1.5201910223265507
Energy: 1.5102846518454631
Energy: 1.4419277970453022
Energy: 1.4908807396674078
Energy: 1.3704975610862071
Energy: 1.3784265943041023
Energy: 1.4566945146830956
Energy: 1.5725183497546642
Energy: 1.57542638010799
Energy: 1.4639572289101002
Energy: 1.4030740999941795
Energy: 1.4301608625799782
Energy: 1.4310471151015443
Energy: 1.4655661780425133
Energy: 1.4286845220398694
Energy: 1.4581242119507423
Energy: 1.5417009433215996
Energy: 1.4113423074065363
Energy: 1.5325216320475012
Energy: 1.3981710522156334
Energy: 1.4664656496712067
Energy: 1.3556311129912728
Energy: 1.371030111657654
Energy: 1.5081903835132595
Energy: 1.4074329229804725
Energy: 1.506137245350373
Energy: 1.4083580879438675
Energy: 1.3876396584261261
Energy: 1.3547823059022535
Energy: 1.3023190256228963
Energy: 1.3407845343189995
Energy: 1.3654423306592671
Energy: 1.4296389399961593
Energy: 1.4608714991965746
Energy: 1.534098656046587
Energy: 1.505621682956446
Energy: 1.4426417170616215
Energy: 1.4480143900749625
Energy: 1.4321829223485603
Energy: 1.466347188077557
Energy: 1.360483540102226
Energy: 1.4571380119215043
Energy: 1.4948985886171524
Energy: 1.5502281613416116
Energy: 1.5131924070731548
Energy: 1.3825598225816151
Energy: 1.4048565821061463
Energy: 1.4302428219939145
Energy: 1.3896400064153638
Energy: 1.4151381172636497
Energy: 1.4487328661573633
Energy: 1.3864639608413498
Energy: 1.5261168367072844
Energy: 1.3803815825252543
Energy: 1.5086619911258285
Energy: 1.4139767968572572
Energy: 1.4525358601900664
Energy: 1.4745922944567047
Energy: 1.4132313274769992
Energy: 1.4380485574827475
Energy: 1.4781464073278467
Energy: 1.4695943677211145
Energy: 1.5014136013408836
Energy: 1.4596729959923962
Energy: 1.498102259699977
Energy: 1.530127358144097
Energy: 1.5102459587234354
Energy: 1.4733791903306659
Energy: 1.5234400787536755
Energy: 1.4549061890632327
Energy: 1.5137077585218472
Energy: 1.4940920980431187
Energy: 1.4328658070017528
Energy: 1.51649573555828
Energy: 1.4657591403835146
Energy: 1.4869599152997433
Energy: 1.4358231489318234
Energy: 1.5010093728326388
Energy: 1.5739451306038554
Energy: 1.524023233314405
Energy: 1.4922682162754692
Energy: 1.573979454311981
Energy: 1.524859386966304
Energy: 1.547082668592015
Energy: 1.613704507002017
Energy: 1.6323698355190535
Energy: 1.5986033059282287
Energy: 1.4938764967607243
Energy: 1.523197660080355
Energy: 1.690165637186641
Energy: 1.5034276497062504
Energy: 1.5890423766406316
Energy: 1.509663264478307
Energy: 1.510345550165743
Energy: 1.6392687968077755
Energy: 1.6764441866077509
Energy: 1.5215139666416648
Energy: 1.5221082230231482
Energy: 1.662137343303885
Energy: 1.5444100599626118
Energy: 1.4750166376788312
Energy: 1.5948397565428174
Energy: 1.5903949337590622
Energy: 1.4872472245578652
Energy: 1.5181376858275457
Energy: 1.5760865217181999
Energy: 1.5445537805567948
Energy: 1.500360748000904
Energy: 1.5328966062255762
Energy: 1.4752929919282696
Energy: 1.6278982471453838
Energy: 1.5226988363583858
Energy: 1.584325657515189
Energy: 1.5643079499782206
Energy: 1.5219257695174417
Energy: 1.6251225818693553

minimum gb energy = 1.3023190256228963 eV
minimum distance =  2.18367090320397 Angstroms
sigma value = 365


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

Energy: 1.4087076869056072
Energy: 1.5342247268908153
Energy: 1.39344760570348
Energy: 1.346411955405795
Energy: 1.34141761480122
Energy: 1.3205450135111143
Energy: 1.3406320353434877
Energy: 1.3773681754204237
Energy: 1.4915303206796005
Energy: 1.3177759296790905
Energy: 1.3204459859574247
Energy: 1.3210476746133244
Energy: 1.3195373815146387
Energy: 1.4921433790662253
Energy: 1.3746189343829283
Energy: 1.5784538406368878
Energy: 1.319953294341088
Energy: 1.3195070881258024
Energy: 1.3182586567659853
Energy: 1.3208627781205848
Energy: 1.3208398182381254
Energy: 1.3738506442397487
Energy: 1.5814961978121604
Energy: 1.3165877401215138
Energy: 1.3200609211095098
Energy: 1.320299926355457
Energy: 1.3208770027541914
Energy: 1.3458130127191272
Energy: 1.2773342855944996
Energy: 1.4922466878873724
Energy: 1.2419695198799299
Energy: 1.493561396790721
Energy: 1.3203803597069648
Energy: 1.24856980028107
Energy: 1.492217020632654
Energy: 1.3776487198002856
Energy: 1.579965611367436
Energy: 1.3192124846968383
Energy: 1.3414216213647743
Energy: 1.3204810700270317
Energy: 1.3193461926770964
Energy: 1.3410871979084802
Energy: 1.3755625596352334
Energy: 1.4911095584841738
Energy: 1.317429623642801
Energy: 1.3191909195691303
Energy: 1.3206612215499198
Energy: 1.320371467101609
Energy: 1.491049193084541
Energy: 1.377354838190778
Energy: 1.4934856588837666
Energy: 1.3195926192949545
Energy: 1.3191550520751347
Energy: 1.3187813535105284
Energy: 1.321401053172371
Energy: 1.4913885537380243
Energy: 1.3752875715113932
Energy: 1.5793133168576112
Energy: 1.3171551037597573
Energy: 1.3205919467052785
Energy: 1.321078002288189
Energy: 1.319698972009823
Energy: 1.3429814223017233
Energy: 1.2798285443648112
Energy: 1.4908239922561008
Energy: 1.2420529200677872
Energy: 1.493063357651801
Energy: 1.489760389762538
Energy: 1.2481478491126021
Energy: 1.49128614585236
Energy: 1.3745410985123183
Energy: 1.5822202998692807
Energy: 1.3200641457096698
Energy: 1.3199842598581377
Energy: 1.3205046366800564
Energy: 1.3195654541144017
Energy: 1.344730147933416
Energy: 1.376187956213316
Energy: 1.5781935214284035
Energy: 1.31703445124668
Energy: 1.3187671055193344
Energy: 1.319876204637271
Energy: 1.3211449775116786
Energy: 1.4921708194821686
Energy: 1.3760068607711937
Energy: 1.4916746699222168
Energy: 1.3197461569105131
Energy: 1.3200117396459594
Energy: 1.319616895065049
Energy: 1.3190171261719863
Energy: 1.4895816590227913
Energy: 1.37732577900247
Energy: 1.5798026075039369
Energy: 1.317023723234181
Energy: 1.3449813044843968
Energy: 1.3408884748383025
Energy: 1.3192321340489237
Energy: 1.3408409908436487
Energy: 1.2759739089663091
Energy: 1.4922341705875046
Energy: 1.2421123487718968
Energy: 1.3211959680935528
Energy: 1.3204088189951326
Energy: 1.3184283968646653
Energy: 1.4887334078383068
Energy: 1.3745484357721733
Energy: 1.5804300166659917
Energy: 1.3199953806993499
Energy: 1.3190200807162593
Energy: 1.3190743766664883
Energy: 1.3193639609492387
Energy: 1.3406735529036622
Energy: 1.374665347758447
Energy: 1.5782943846777442
Energy: 1.3185491046946671
Energy: 1.318351891976273
Energy: 1.3191776753342503
Energy: 1.3207414583892283
Energy: 1.3411475989577422
Energy: 1.2766340212619718
Energy: 1.4926419119375463
Energy: 1.317857915790571
Energy: 1.321742015370276
Energy: 1.3208306599363902
Energy: 1.319199267776292
Energy: 1.4934641805869036
Energy: 1.3772916075932389
Energy: 1.5358429734174046
Energy: 1.3175873415977892
Energy: 1.3463981548293609
Energy: 1.3415845932963224
Energy: 1.317244815594239
Energy: 1.3402816575231
Energy: 1.3767033305999483
Energy: 1.4904152221248146
Energy: 1.3194050959345938
Energy: 1.3198001960851575
Energy: 1.321681230371964
Energy: 1.3188135638040226
Energy: 1.4892869054983235

minimum gb energy = 1.2419695198799299 eV
minimum distance =  2.2234300900938 Angstroms
sigma value = 23