Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.867570169270039
cohesive_energy=4.280336240308329
mass=55.845
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=[1.9007742932785797e-19, 2.7152888504715e-19, 3.34044215129196e-19, 3.85060723509024e-19, 4.2799905730022395e-19, 4.64801054583204e-19, 4.9670680007268e-19, 5.245718560912079e-19, 5.490162649961459e-19, 5.7051106671789e-19, 5.8941835317572395e-19, 6.06034527046938e-19, 6.20598312649998e-19, 6.33305175534252e-19, 6.443217420696359e-19, 6.5379220815321e-19, 6.61836737032524e-19, 6.68561072365422e-19, 6.7405974257331e-19, 6.7841445866452195e-19, 6.816973185875879e-19, 6.83972409407868e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837705351519839e-19, 6.810580501106219e-19, 6.769100148051959e-19, 6.71068478797632e-19, 6.63224221997568e-19, 6.53000732896014e-19, 6.399477998588159e-19, 6.23512671947244e-19, 6.0301923062174995e-19, 5.776375483859219e-19, 5.463294147809279e-19, 5.078002710864959e-19, 4.6040948842941e-19, 4.0206302194903194e-19, 3.30061204017072e-19, 2.4086963297892597e-19, 1.298152402462062e-19, -9.389091532333138e-21, -1.85367030023898e-19, -4.10432792685048e-19, -7.03196926839234e-19, -1.09301291059797e-18, -1.62864459199368e-18, -2.39579880788556e-18, -3.55660782275124e-18, -5.4488425145706e-18, -8.8533076441572e-18, -1.5798262699557e-17, -3.2261428702224e-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: 0.01606676979744238
Energy: 0.016289252456432195
Energy: 1.7042841682043104
Energy: 0.01697645793953152
Energy: 0.017108205487486684
Energy: 1.7026304068910583
Energy: 0.016350572830233927
Energy: 0.016552329256559105
Energy: 0.20471402031460373
Energy: 0.3650412920508819
Energy: 0.17017186380497995
Energy: 0.36440445733478755
Energy: 0.20329687254060172
Energy: 0.17037742864776004
Energy: 0.17025404528190946
Energy: 0.2031757175831568
Energy: 0.3651065047489355
Energy: 0.17030794216487607
Energy: 0.36425420840619
Energy: 0.20351651390284653
Energy: 0.17001790165619207
Energy: 0.17082126770865522
Energy: 0.36556830151062863
Energy: 0.20425330772531064
Energy: 0.1705341184443838
Energy: 0.1709194496392138
Energy: 0.2041205700431143
Energy: 0.1709986391796976
Energy: 0.16986691969915746
Energy: 0.20379048629975727
Energy: 0.3653386965434891
Energy: 0.17008221077788455
Energy: 0.36404689264146206
Energy: 0.2032675581565114
Energy: 0.17038576368614025
Energy: 0.01633575304223208
Energy: 0.20331227000276034
Energy: 0.3649287758809822
Energy: 0.016910709146902732
Energy: 0.017032286975491976
Energy: 0.3645951195082973
Energy: 0.1705619486299931

minimum gb energy = 0.01606676979744238 eV
minimum distance =  2.45196843059513 Angstroms
sigma value = 5


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

Energy: 1.9899162362569298
Energy: 1.484305886214449
Energy: 1.2487913500944574
Energy: 1.8600378469740184
Energy: 1.8600525881758558
Energy: 1.3580706018871442
Energy: 1.4834821300839398
Energy: 1.2214090936104514
Energy: 1.2697594347560002
Energy: 1.298427628898636
Energy: 1.2099118167360747
Energy: 1.223759614689518
Energy: 1.3182997047440081
Energy: 1.191825381556679
Energy: 1.1689759553602665
Energy: 1.1847668011881214
Energy: 1.2158866311604763
Energy: 1.205724480856743
Energy: 1.1991347535194927
Energy: 1.1893059856730364
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Energy: 1.1883957939084469
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Energy: 1.198587801360896
Energy: 1.152897899856225
Energy: 1.1531505277479104
Energy: 1.197642540832445
Energy: 1.218951741869724
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Energy: 1.1735933610888853
Energy: 1.2011430941830208
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Energy: 1.212479984555811
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Energy: 1.2890668239051788
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Energy: 1.2471650101472598
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Energy: 1.1650161492370472
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Energy: 1.1816324470539439
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Energy: 1.2575078733084801
Energy: 1.2550023726023345
Energy: 1.2716308221853587
Energy: 1.2617610895083642
Energy: 1.2579251757857703
Energy: 1.291913556796662
Energy: 1.2301446401459577
Energy: 1.2043514697817705
Energy: 1.244161048912127
Energy: 1.2864885613261303
Energy: 1.214096242923109
Energy: 1.2208960253915686
Energy: 1.1945981400223453
Energy: 1.163438606671149
Energy: 1.2180925587229061
Energy: 1.2556642386507855
Energy: 1.2208016939925852
Energy: 1.1970878132285265
Energy: 1.2599656922822737
Energy: 1.2004916772527787
Energy: 1.1993843430006292
Energy: 1.207483133954898
Energy: 1.2508095931995973
Energy: 1.307156253580144
Energy: 1.1899991528343101
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Energy: 1.3355308632495044
Energy: 1.2421171573927103
Energy: 1.241504232283504
Energy: 1.3281056059889036
Energy: 1.2852502433860444

minimum gb energy = 1.1187389069820717 eV
minimum distance =  2.26452888509408 Angstroms
sigma value = 401


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

Energy: 1.7399386664190877
Energy: 1.4710055032186842
Energy: 1.5639285013921587
Energy: 1.178251352128431
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Energy: 1.2892081694934792
Energy: 1.309346528189385
Energy: 1.2288509475239198
Energy: 1.230760066049433
Energy: 1.3027803034975565
Energy: 1.3174359695072946
Energy: 1.2337020213285155
Energy: 1.2273064431512308
Energy: 1.3131418606557337
Energy: 1.2596200621735885
Energy: 1.2805861802110141
Energy: 1.283532124504523
Energy: 1.3318212750548082
Energy: 1.2768896265172125
Energy: 1.2879019356932673
Energy: 1.2961555653513013
Energy: 1.2410610415352845
Energy: 1.2840621696470778
Energy: 1.2901815799785161
Energy: 1.2480739913551704
Energy: 1.2848236297848863
Energy: 1.319588494371038
Energy: 1.3234052346208478
Energy: 1.2678648788624314
Energy: 1.4779308603229657
Energy: 1.2163794391665521
Energy: 1.2289640726594424
Energy: 1.4767732068221409
Energy: 1.2621861234682885
Energy: 1.2360499341483855
Energy: 1.2462397402041303
Energy: 1.2901919421554224
Energy: 1.3172475563203137
Energy: 1.2465664934317264
Energy: 1.242468898709703
Energy: 1.306177196263592
Energy: 1.3161185042077534
Energy: 1.2769286597615621
Energy: 1.28484856650142
Energy: 1.28714184301931
Energy: 1.3243570854998772
Energy: 1.277333890798148
Energy: 1.306158432721602
Energy: 1.3181667940010175
Energy: 1.3011246401371153
Energy: 1.2313828082574478
Energy: 1.302053964081722
Energy: 1.3629335645556626
Energy: 1.2309854729949377
Energy: 1.1989762719924864
Energy: 1.3052892070519515
Energy: 1.2754539332221084
Energy: 1.2912001244560878
Energy: 1.3073575936176014
Energy: 1.2936861916416533
Energy: 1.2761553480196655
Energy: 1.2522070249657504
Energy: 1.255431435452719
Energy: 1.2532562298444814
Energy: 1.297632087976722
Energy: 1.2679080551424116
Energy: 1.213238992288868
Energy: 1.2924614191223704
Energy: 1.2771282972177014
Energy: 1.249880140904542
Energy: 1.243154965669696
Energy: 1.2810167842041236
Energy: 1.2585916777406747
Energy: 1.2442352672453565
Energy: 1.269855392433176
Energy: 1.2673477986329431
Energy: 1.2698096040230202
Energy: 1.2465930563504
Energy: 1.2912893695134249
Energy: 1.2847932302539564
Energy: 1.2359780987519415
Energy: 1.1658057923200158
Energy: 1.290035662402691
Energy: 1.297410588069116
Energy: 1.2512303102446947
Energy: 1.2539495571493067
Energy: 1.1968254472847286
Energy: 1.2083924872832281
Energy: 1.2697576862194875
Energy: 1.2861695053126916
Energy: 1.3093215985143618
Energy: 1.240167268766137
Energy: 1.2362713702578725
Energy: 1.1733287786608566
Energy: 1.2332523599226166
Energy: 1.3277969803068879
Energy: 1.2608323975994638
Energy: 1.2167358901448138
Energy: 1.18985455362212
Energy: 1.403489257631095
Energy: 1.2241968735391926
Energy: 1.20097545316489
Energy: 1.3018560777509702
Energy: 1.2140135283807687
Energy: 1.2147602188216786
Energy: 1.2343661528028682
Energy: 1.2224272308928468
Energy: 1.1791805452262925
Energy: 1.1869311698411704
Energy: 1.1952077517261808
Energy: 1.1852063651383191

minimum gb energy = 1.158422627991825 eV
minimum distance =  2.27433465832705 Angstroms
sigma value = 311


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

Energy: 1.27612213242976
Energy: 1.2786370650604468
Energy: 1.4299723137378584
Energy: 1.4021230474380464
Energy: 1.4001214911388862
Energy: 1.4155123743882796
Energy: 1.267083975559042
Energy: 1.3082993540787213
Energy: 1.2969663820854556
Energy: 1.300897797046513
Energy: 1.2976923093351607
Energy: 1.277846176469197
Energy: 1.3044516306706233
Energy: 1.2984059619898916
Energy: 1.2960695746424027
Energy: 1.266985186698543
Energy: 1.250693098474525
Energy: 1.2611170925660395
Energy: 1.278094790735596
Energy: 1.283984860569038
Energy: 1.262430936837252
Energy: 1.2540426187249425
Energy: 1.2902644446893747
Energy: 1.2488055308162969
Energy: 1.2590569830213454
Energy: 1.2827553265038327
Energy: 1.2953024383088616
Energy: 1.243155367465012
Energy: 1.2824109707964488
Energy: 1.2751119978751333
Energy: 1.3047677840615266
Energy: 1.2958055702717355
Energy: 1.2800825403545106
Energy: 1.3283944713237972
Energy: 1.295196715690238
Energy: 1.2732669756447956
Energy: 1.2820303310613754
Energy: 1.3150995191959813
Energy: 1.290393646709524
Energy: 1.2776073361811264
Energy: 1.3146744492770448
Energy: 1.2860027530601277
Energy: 1.2494455350543008
Energy: 1.2697369285728852
Energy: 1.3071640792459376
Energy: 1.2914747201547665
Energy: 1.268321206005929
Energy: 1.307698598829106
Energy: 1.2894436577682584
Energy: 1.30144896346184
Energy: 1.3285620572495827
Energy: 1.3176357603401425
Energy: 1.3110125552590417
Energy: 1.30420328433076
Energy: 1.3207537128183031
Energy: 1.3035713257595551
Energy: 1.2886851575454414
Energy: 1.295114186190348
Energy: 1.2673390356649816
Energy: 1.2992643849072503
Energy: 1.3209063711703266
Energy: 1.2863859198626235
Energy: 1.3388837067853778
Energy: 1.3248068256110754
Energy: 1.2996130699856732
Energy: 1.3032389467019678
Energy: 1.2900021339601768
Energy: 1.339380684603469
Energy: 1.3286756191073927
Energy: 1.322935709927451
Energy: 1.3119171357443413
Energy: 1.3267162928560285
Energy: 1.347681656830606
Energy: 1.3134278196390434
Energy: 1.3363046386483304
Energy: 1.3180529384720134
Energy: 1.3224318891793236
Energy: 1.260371331935555
Energy: 1.2694300730290207
Energy: 1.2970939216754835
Energy: 1.2705014262394747
Energy: 1.2529279533501267
Energy: 1.328086437189278
Energy: 1.3123288516844227
Energy: 1.2311578922828337
Energy: 1.239688057834208
Energy: 1.284415710557814
Energy: 1.2842805437460854
Energy: 1.2318939767043655
Energy: 1.2788559150747731
Energy: 1.2666076536105724
Energy: 1.2743088204477677
Energy: 1.2961258021326645
Energy: 1.3172194385047684
Energy: 1.2542037817193514
Energy: 1.2858238037798715
Energy: 1.2679742764014734
Energy: 1.2570492977318497
Energy: 1.2772132787826938
Energy: 1.250911721683206
Energy: 1.2935302413795458
Energy: 1.267098577892199
Energy: 1.2924597037185581
Energy: 1.2615077767005431
Energy: 1.2962906196350514
Energy: 1.2900210306074502
Energy: 1.2485673497732468
Energy: 1.2532218363875327
Energy: 1.3126334234549482
Energy: 1.2959407445374787
Energy: 1.2552668583024529
Energy: 1.2699566996386444
Energy: 1.3056220305862223
Energy: 1.3294278752271866
Energy: 1.304823335179621
Energy: 1.2791553127202777
Energy: 1.3135514892979816
Energy: 1.2960176817527196
Energy: 1.2794940799388317
Energy: 1.2760742382888095
Energy: 1.306559923018912
Energy: 1.2946280735745852
Energy: 1.2785264674797086
Energy: 1.3137527624681442
Energy: 1.2912813889576529
Energy: 1.2835344507394952
Energy: 1.2975536940212762
Energy: 1.301954379884895
Energy: 1.2850740236915077
Energy: 1.2690418948301354
Energy: 1.3068042956983714
Energy: 1.2883113071756422
Energy: 1.2692541435911748
Energy: 1.329475625586801
Energy: 1.347176802394882
Energy: 1.3046651921473476
Energy: 1.3170791616519544
Energy: 1.2891229949855172
Energy: 1.3040157393106921
Energy: 1.3047101415819102
Energy: 1.360788683766601
Energy: 1.3098352719008737
Energy: 1.2888833235867037
Energy: 1.3007525985443946
Energy: 1.3112515855141178
Energy: 1.3117251042089744
Energy: 1.3067423557597209
Energy: 1.3038732485944688
Energy: 1.238079268230192
Energy: 1.3426019903591224
Energy: 1.3031691375725336
Energy: 1.2685452763320757
Energy: 1.3951807396957865
Energy: 1.3248562440937288
Energy: 1.325558245226783
Energy: 1.3309322597787312
Energy: 1.319227354171338
Energy: 1.3387598504730502
Energy: 1.359047085034989
Energy: 1.3210530447749913
Energy: 1.3120242637845192
Energy: 1.2571006871523593
Energy: 1.3041656139656537
Energy: 1.2665625498768907
Energy: 1.2334912767609276
Energy: 1.2817485055950344
Energy: 1.2811945963345437
Energy: 1.2509924270897073
Energy: 1.2842077471957292
Energy: 1.3092287176420878
Energy: 1.2838688724317697
Energy: 1.2405199624159922
Energy: 1.2650526094085157
Energy: 1.2808347170201486
Energy: 1.2772919798255362
Energy: 1.2624491716673805
Energy: 1.284309453183312
Energy: 1.2671712347110273
Energy: 1.277732681631344
Energy: 1.2679923564505982
Energy: 1.2491637201939298
Energy: 1.2742178143088745
Energy: 1.2821551907623712
Energy: 1.295876165378748
Energy: 1.3163163821637436
Energy: 1.2502120950885305
Energy: 1.2946878401307045
Energy: 1.3231443522015067
Energy: 1.3063268925768312
Energy: 1.26303611118049
Energy: 1.2588000641259793
Energy: 1.3240369744411398
Energy: 1.2486732654722836
Energy: 1.2693056291402378
Energy: 1.2748205714421208
Energy: 1.3233466371384732
Energy: 1.3199349855776112
Energy: 1.2958210971140807
Energy: 1.2862389547000423
Energy: 1.33683791473951
Energy: 1.3157257361106325
Energy: 1.30785243251806
Energy: 1.3346121968187405
Energy: 1.2743276374442105
Energy: 1.2502072953921264
Energy: 1.2645151133432748
Energy: 1.3020466643769513
Energy: 1.2905848026347402
Energy: 1.2692465408680969
Energy: 1.302170106729072
Energy: 1.3120118082271908
Energy: 1.2910808649154235
Energy: 1.3068659237387792
Energy: 1.3233096206288664
Energy: 1.3001621084334831
Energy: 1.3086295312915641
Energy: 1.3419837735445572
Energy: 1.352618006858331
Energy: 1.2739581434848035
Energy: 1.2892336832907496
Energy: 1.277313434874578
Energy: 1.2729653739765827
Energy: 1.2747951646921012
Energy: 1.3276615929677318
Energy: 1.3185367426930197
Energy: 1.2883481812220212
Energy: 1.3009968114816937
Energy: 1.302574340143757
Energy: 1.3117608678848913
Energy: 1.2875128804201257
Energy: 1.3271887229895705
Energy: 1.2769812298536973
Energy: 1.284654075182955
Energy: 1.3024110199071135
Energy: 1.2674816321713929
Energy: 1.3279439743855572
Energy: 1.303169301816672
Energy: 1.283839151938193
Energy: 1.3406513903059765
Energy: 1.3170666140502285
Energy: 1.327002938685897
Energy: 1.3528840987388064
Energy: 1.3240371231227273
Energy: 1.3245983105098735
Energy: 1.3253887397469566
Energy: 1.27563455993675
Energy: 1.257905248084512
Energy: 1.2344384324774338
Energy: 1.2823126166394188
Energy: 1.28096232855561
Energy: 1.2301086231616092
Energy: 1.2676854398344661

minimum gb energy = 1.2301086231616092 eV
minimum distance =  2.25239106289936 Angstroms
sigma value = 39


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

Energy: 1.2356749579370434
Energy: 1.2552650534710341
Energy: 1.3836069246433464
Energy: 1.2378262161497406
Energy: 1.2378678806672865
Energy: 1.358036410460619
Energy: 1.2381108204285833
Energy: 1.2327902045528263
Energy: 1.2159044592365476
Energy: 1.2929980778512273
Energy: 1.272162017786254
Energy: 1.2275590050516259
Energy: 1.1714170562098498
Energy: 1.2719467286875445
Energy: 1.2849485650291321
Energy: 1.2050298984984962
Energy: 1.2033666725228203
Energy: 1.2716145986387688
Energy: 1.2311307915403304
Energy: 1.1724219532372777
Energy: 1.2001873559021883
Energy: 1.2473437361508601
Energy: 1.1022946442189328
Energy: 1.2396287200588427
Energy: 1.2296008459562406
Energy: 1.1427317280795704
Energy: 1.1024914145821663
Energy: 1.2434903407447193
Energy: 1.250249600204195
Energy: 1.1655655211741505
Energy: 1.1927057895242965
Energy: 1.2231327846858036
Energy: 1.1656920962428536
Energy: 1.199964688733751
Energy: 1.1934179374624376
Energy: 1.178505581855687
Energy: 1.165546656185206
Energy: 1.1583150835591465
Energy: 1.1825139675586709
Energy: 1.1652335227446102
Energy: 1.1650650541396195
Energy: 1.1827483781901473
Energy: 1.249848701244724
Energy: 1.208286791825106
Energy: 1.1579691356682165
Energy: 1.2263933026612628
Energy: 1.2216451866505826
Energy: 1.1874776363251989
Energy: 1.1819987382747132
Energy: 1.2293564761402043
Energy: 1.2170816423354978
Energy: 1.211615519002041
Energy: 1.2369512052100335
Energy: 1.2162328259054256
Energy: 1.2102166346194823
Energy: 1.2778647781695733
Energy: 1.2418197779700508
Energy: 1.2385724673586178
Energy: 1.3199279228023122
Energy: 1.2429775918960626
Energy: 1.2403205301499787
Energy: 1.3354744785391208
Energy: 1.243904283358512
Energy: 1.2194883317047183
Energy: 1.2518911564464374
Energy: 1.3697926965826024
Energy: 1.218454045313743
Energy: 1.2206590375314206
Energy: 1.36911718131294
Energy: 1.2457168416814042
Energy: 1.228427941355007
Energy: 1.2156090627958547
Energy: 1.3390574055492317
Energy: 1.2802031168169294
Energy: 1.2281049312292136
Energy: 1.1957112104790957
Energy: 1.2719119984995932
Energy: 1.2514919756213279
Energy: 1.1944574449564804
Energy: 1.2038520954773162
Energy: 1.2718074581646959
Energy: 1.2162439793464317
Energy: 1.203882666571495
Energy: 1.2726429908909107
Energy: 1.2967257755559005
Energy: 1.195301030038587
Energy: 1.3148219786312416
Energy: 1.2958850676328446
Energy: 1.1942912450973806
Energy: 1.2032722698294793
Energy: 1.3211340893631849
Energy: 1.2854172976527427
Energy: 1.2411742218019344
Energy: 1.2034898470608617
Energy: 1.2720995390476773
Energy: 1.2223023444764962
Energy: 1.2355562675952403
Energy: 1.2719924058907042
Energy: 1.232677969411568
Energy: 1.227615942029813
Energy: 1.373681861572982
Energy: 1.2721327371002966
Energy: 1.2281919858963042
Energy: 1.3684093868669298
Energy: 1.2520332669579735
Energy: 1.2358291368521064
Energy: 1.2229630779793839
Energy: 1.2932056890046801
Energy: 1.2376632220696966
Energy: 1.2377764566045397
Energy: 1.3396354347361104
Energy: 1.2380407696924383
Energy: 1.272507071758479
Energy: 1.2040871636706734
Energy: 1.2931977839174909
Energy: 1.2721689137696675
Energy: 1.2365142520351644
Energy: 1.1714590377729106
Energy: 1.2720494295931086
Energy: 1.2728251869661769
Energy: 1.2048385844070668
Energy: 1.2033214861600903
Energy: 1.271626759114309
Energy: 1.231056006160867
Energy: 1.1725616689464053
Energy: 1.2006852768849678
Energy: 1.2471059176251078
Energy: 1.1009503739565039
Energy: 1.2388078759142582
Energy: 1.2446036821204343
Energy: 1.1426823984574468
Energy: 1.1019593408039867
Energy: 1.2409584035992962
Energy: 1.2499247890109715
Energy: 1.1655399123823624
Energy: 1.1927430763422873
Energy: 1.2230504468568826
Energy: 1.1659299500097964
Energy: 1.1734730755570328
Energy: 1.1934627519632133
Energy: 1.1781237584215511
Energy: 1.1653274964045046
Energy: 1.158539574593139
Energy: 1.1825947687207097
Energy: 1.16521320842557
Energy: 1.164881255599116
Energy: 1.1829662066857447
Energy: 1.2493728446246277
Energy: 1.204999913650925
Energy: 1.1582115266812236
Energy: 1.2286416912222942
Energy: 1.222052000936292
Energy: 1.1884024438488439
Energy: 1.1824792167492626
Energy: 1.229466952637035
Energy: 1.2170132485172211
Energy: 1.211744192462629
Energy: 1.237311581990202
Energy: 1.2162443317887577
Energy: 1.210346600839345
Energy: 1.2778289709606887
Energy: 1.220199995950302
Energy: 1.2388276265518126
Energy: 1.3198995592676095
Energy: 1.2428404947294696
Energy: 1.24035603575613
Energy: 1.3353426025780661
Energy: 1.2446245185487936
Energy: 1.219500803744198
Energy: 1.2505863683138152
Energy: 1.369681300920134
Energy: 1.2184792235690984
Energy: 1.2206324435576752
Energy: 1.3687438094015447
Energy: 1.2465605637794193
Energy: 1.2287055416282764
Energy: 1.2154304806339922
Energy: 1.1953897184265772
Energy: 1.289602250913334
Energy: 1.2280360351097679
Energy: 1.1958293143198226
Energy: 1.271947980267822
Energy: 1.2857210394986833
Energy: 1.19417355293192
Energy: 1.2032731794692921
Energy: 1.2719517823148137
Energy: 1.2164718698602983
Energy: 1.2048475182634126
Energy: 1.2978870830163265
Energy: 1.3062166524021512
Energy: 1.1949649145692043
Energy: 1.316707573096425
Energy: 1.3138810553386335
Energy: 1.194359450249173
Energy: 1.1951448665502373
Energy: 1.3267344349692753
Energy: 1.2854746318141923
Energy: 1.2411964829230524
Energy: 1.2023998961279745
Energy: 1.2741996597078706
Energy: 1.2221515128795735
Energy: 1.2353210650602657
Energy: 1.272010798053309
Energy: 1.2327095091317564
Energy: 1.2275348325568232
Energy: 1.3393290864021454
Energy: 1.2722081537116205
Energy: 1.2280539154196075
Energy: 1.3683435463197129
Energy: 1.2520779831377906

minimum gb energy = 1.1009503739565039 eV
minimum distance =  2.23709617459851 Angstroms
sigma value = 21


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

Energy: 1.4490132512948952
Energy: 1.0821693872197606
Energy: 1.081078870059888
Energy: 1.1414465652716554
Energy: 1.2854925832501807
Energy: 1.5357274876694158
Energy: 1.0822851673308842
Energy: 1.1394657363147467
Energy: 1.1399397816333865
Energy: 1.0935933131341244
Energy: 1.1752080965511738
Energy: 1.1310725097565273
Energy: 1.093536851233978
Energy: 1.1752059396554735
Energy: 1.1155991423581826
Energy: 1.0908609124531419
Energy: 1.080061488905828
Energy: 1.0972737514214868
Energy: 1.0927652666319274
Energy: 1.0798554419021775
Energy: 1.0792830338152155
Energy: 1.0964641407743991
Energy: 1.0610883756611011
Energy: 1.016172949431342
Energy: 1.079343182872691
Energy: 1.0872323242314965
Energy: 1.0158607943846103
Energy: 1.079263867379945
Energy: 1.088248331002358
Energy: 1.0595113304974315
Energy: 1.0797916565518382
Energy: 1.096667517449257
Energy: 1.0720643106756724
Energy: 1.0154519315464312
Energy: 1.0797655753120519
Energy: 1.0441313745970915
Energy: 1.0964347474928915
Energy: 1.089883299547733
Energy: 1.052725361329121
Energy: 1.0586506279932775
Energy: 1.0723095132210072
Energy: 1.0765684678605196
Energy: 1.004611161185546
Energy: 1.0613171760911573
Energy: 1.0345149463140733
Energy: 1.0441172510981116
Energy: 1.061021834527796
Energy: 1.086566951520715
Energy: 1.0387030678883586
Energy: 1.004645216259293
Energy: 1.0045038843930025
Energy: 1.1084186206216522
Energy: 1.0368823570165688
Energy: 1.0043990300304393
Energy: 1.1209484068543967
Energy: 1.0344153103595692
Energy: 1.0048063599216903
Energy: 1.0062387758073172
Energy: 1.107540882709535
Energy: 1.0521984395493758
Energy: 1.0049788298969298
Energy: 1.1075247703420577
Energy: 1.0514075396897362
Energy: 1.001909667230675
Energy: 1.0079747599289632
Energy: 1.0917072273781459
Energy: 1.0267496635408628
Energy: 1.0078454864530004
Energy: 1.0372163976315958
Energy: 1.027191467795974
Energy: 1.0267572906394895
Energy: 1.0613866478307301
Energy: 1.0889785444428792
Energy: 1.052929320273737
Energy: 1.0608075669419414
Energy: 1.0831399132051616
Energy: 1.0524400580614193
Energy: 1.0607828495935898
Energy: 1.0667088837951229
Energy: 1.0677962392782054
Energy: 1.0526074492782462
Energy: 1.0830318806346884
Energy: 1.0678544242470378
Energy: 1.0522737269981763
Energy: 1.0391540275471816
Energy: 1.0372780373693875
Energy: 1.0076319794107327
Energy: 1.026969465980056
Energy: 1.0367501039263984
Energy: 1.0081071188449016
Energy: 1.0085024789402646
Energy: 1.0520453808899002
Energy: 1.0096633524883931
Energy: 1.0046549592799185
Energy: 1.027007156001745
Energy: 1.0959234907386717
Energy: 1.004283991790866
Energy: 1.0013947601175075
Energy: 1.0588936527847126
Energy: 1.1201313361924254
Energy: 1.0046950167411157
Energy: 1.0513438500836803
Energy: 1.1242204253498418
Energy: 1.0395924837888477
Energy: 1.036819520125286
Energy: 1.094380645945418
Energy: 1.0679012084567243
Energy: 1.0046931110070838
Energy: 1.044169471829207
Energy: 1.0586478007853972
Energy: 1.0045372539077921
Energy: 1.04397676240163
Energy: 1.0772186049453607
Energy: 1.0721540388561583
Energy: 1.0055341460050855
Energy: 1.0561057777339258
Energy: 1.096611738837011
Energy: 1.0611538392346647
Energy: 1.044124565653924
Energy: 1.078718292101666
Energy: 1.0923468870098787
Energy: 1.0572813811901047
Energy: 1.0968343550512805
Energy: 1.0804279752323376
Energy: 1.0730858513631347
Energy: 1.096655550349622
Energy: 1.0796515152394075
Energy: 1.0156500052097592
Energy: 1.1145081439509674
Energy: 1.0788629584856124
Energy: 1.0152141939777928
Energy: 1.0165234030685664
Energy: 1.0705403851792497
Energy: 1.0791678012548924
Energy: 1.0801653575173153
Energy: 1.1163432086145215
Energy: 1.0969173199987468
Energy: 1.080105741348743
Energy: 1.073879266934388
Energy: 1.0968051479635068
Energy: 1.0787370471922675
Energy: 1.0935822816017655
Energy: 1.164191587366387
Energy: 1.1747975066332785
Energy: 1.0935032821099544
Energy: 1.1543831980828672
Energy: 1.1749758369603092
Energy: 1.1155034600816502
Energy: 1.0618261520078947
Energy: 1.1414623537264874
Energy: 1.1410979907984296
Energy: 1.0876794472348605
Energy: 1.0830498512601863
Energy: 1.141240128815324
Energy: 1.1154199770148319
Energy: 1.0610206510994238
Energy: 1.142041393645205
Energy: 1.1411903354741961
Energy: 1.0878617418916223
Energy: 1.0152522790663645
Energy: 1.1419585722151835
Energy: 1.1394019567963625
Energy: 1.1736335347999276
Energy: 1.08011388627839
Energy: 1.174981216327862
Energy: 1.0930539855389232
Energy: 1.0931842488700805
Energy: 1.1746384780096266
Energy: 1.1386414197775756
Energy: 1.131262289224458
Energy: 1.1059649459552525
Energy: 1.1409166550854974
Energy: 1.1413891671664287
Energy: 1.1645434670955672
Energy: 1.1764074327853016

minimum gb energy = 1.0013947601175075 eV
minimum distance =  2.29174099849973 Angstroms
sigma value = 113


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

Energy: 1.4933846761786773
Energy: 1.1021109703106717
Energy: 1.0374010034510333
Energy: 1.142839951932163
Energy: 1.1425060810457934
Energy: 1.025621625064223
Energy: 1.1019230425394848
Energy: 0.9689805340742249
Energy: 0.9883630795953238
Energy: 0.9826076677904041
Energy: 0.968642581643224
Energy: 1.003769450614875
Energy: 0.9805216167202635
Energy: 0.9847214411168935
Energy: 0.9662657068727933
Energy: 0.9678811790926618
Energy: 0.9683226983442671
Energy: 0.9848352077264961
Energy: 0.992113445408471
Energy: 0.9685094921650265
Energy: 0.9687908642501427
Energy: 0.9475378175376618
Energy: 0.9737024042875492
Energy: 0.9519605702218032
Energy: 0.9328443234403514
Energy: 0.9533697510338313
Energy: 0.9518366572470239
Energy: 0.9695473098793003
Energy: 0.9141257380411661
Energy: 0.9677192100933762
Energy: 0.989712147731442
Energy: 0.9702871485532261
Energy: 0.9597266491102124
Energy: 0.9520240350983341
Energy: 0.9703774190468879
Energy: 0.9393723842616042
Energy: 0.951393414625151
Energy: 0.9857934720178644
Energy: 0.9737861998230994
Energy: 0.9347442453354123
Energy: 0.9628343813752246
Energy: 0.9873561911669764
Energy: 0.9352092231758352
Energy: 0.9540985566064505
Energy: 0.9646325480954226
Energy: 0.9475932633899014
Energy: 0.9329983246478173
Energy: 0.9619648600719024
Energy: 0.953812260823504
Energy: 0.9350898846883428
Energy: 0.9151856017454402
Energy: 0.9481619852661595
Energy: 0.9149345312300106
Energy: 0.933527474454506
Energy: 0.9473699661843814
Energy: 0.9253679905638909
Energy: 0.9433115199509705
Energy: 0.9356618949215714
Energy: 0.9408448732917974
Energy: 0.9686740306253068
Energy: 0.9443835678677724
Energy: 0.9551620818465965
Energy: 0.9298558195931196
Energy: 0.9219590076599314
Energy: 0.9304667529917379
Energy: 0.9210741227360226
Energy: 0.9338460909310602
Energy: 0.9328786159028674
Energy: 0.9327341547957598
Energy: 0.9166708756095655
Energy: 0.9371857478820982
Energy: 0.9309181428454958
Energy: 0.9030826649888416
Energy: 0.9291754512250963
Energy: 0.9292082703673136
Energy: 0.9022966643825204
Energy: 0.9217848884730183
Energy: 0.9349982575352329
Energy: 0.9339956832867977
Energy: 0.9030948314520628
Energy: 0.9232223266403105
Energy: 0.9489086839631383
Energy: 0.9031502638944836
Energy: 0.9250777968628914
Energy: 0.9248122043879872
Energy: 0.9355061004306373
Energy: 0.8925994820975099
Energy: 0.9110443278355713
Energy: 0.9597500483534005
Energy: 0.8917367125697093
Energy: 0.904115809688784
Energy: 0.9099953610430136
Energy: 0.9163822229657679
Energy: 0.889462639212505
Energy: 0.9026805104500619
Energy: 0.9314973735603381
Energy: 0.8770253169410651
Energy: 0.903917181350948
Energy: 0.9054714874212682
Energy: 0.9159711773622492
Energy: 0.9125516058905184
Energy: 0.9165814717596056
Energy: 0.9030754361222993
Energy: 0.908917581094912
Energy: 0.9285177224086861
Energy: 0.8868464966343004
Energy: 0.8902566013372678
Energy: 0.8987825466758921
Energy: 0.8916378527104828
Energy: 0.8872134265945311
Energy: 0.9051575349828254
Energy: 0.9022916102753727
Energy: 0.8857141065718734
Energy: 0.88745851334161
Energy: 0.8981211355054873
Energy: 0.9044376139909769
Energy: 0.8867867924740386
Energy: 0.9020266323831989
Energy: 0.8993652268635207
Energy: 0.8943872634378593
Energy: 0.8857648044133813
Energy: 0.922464848100354
Energy: 0.9044590047940635
Energy: 0.890925160048443
Energy: 0.9244210098738314
Energy: 0.901574764198917
Energy: 0.8864050398523465
Energy: 0.8878984470131518
Energy: 0.9271622785220397
Energy: 0.9018944562871833
Energy: 0.8883484382887933
Energy: 0.9271857034936595
Energy: 0.9030746258415553
Energy: 0.8689714184110477
Energy: 0.8718864188891449
Energy: 0.9201047567531546
Energy: 0.887308957732789
Energy: 0.8665052858923817
Energy: 0.8877124055814904
Energy: 0.8934207602136053
Energy: 0.8967129177741451
Energy: 0.8995731243354379
Energy: 0.9185397343036397
Energy: 0.8975777082702777
Energy: 0.8948862330249641
Energy: 0.8955223363856589
Energy: 0.8983695445424574
Energy: 0.9061643281910444
Energy: 0.8987431959057748
Energy: 0.8970612523897413
Energy: 0.8969134850761792
Energy: 0.9226988746305423
Energy: 0.8962325778724833
Energy: 0.8954333439454198
Energy: 0.8906175809309854
Energy: 0.8875598017520512
Energy: 0.8656692676103512
Energy: 0.8902087743098704
Energy: 0.92017287885134
Energy: 0.867623069856492
Energy: 0.8766978164830902
Energy: 0.8982982411836511
Energy: 0.9069071772667332
Energy: 0.888411424171305
Energy: 0.901773012008644
Energy: 0.9255721542726996
Energy: 0.8882093506972533
Energy: 0.9058754875806708
Energy: 0.921827190373279
Energy: 0.9265490248998618
Energy: 0.891309153295715
Energy: 0.9056136705468493
Energy: 0.9214306794687968
Energy: 0.8878469294477414
Energy: 0.905247164227002
Energy: 0.895322134291553
Energy: 0.9029088549343239
Energy: 0.8823108254079212
Energy: 0.8944639055696503
Energy: 0.9065883697689128
Energy: 0.8868756533449317
Energy: 0.9056317097101317
Energy: 0.8914974224638005
Energy: 0.9037975393526142
Energy: 0.8804113670825381
Energy: 0.9030690605617051
Energy: 0.9001982612414965
Energy: 0.8887222385173951
Energy: 0.9041832797326463
Energy: 0.9165832590496177
Energy: 0.9070020680879006
Energy: 0.9024104764331147
Energy: 0.9293607547122267
Energy: 0.909167657600989
Energy: 0.9115484172798538
Energy: 0.9159311394535202
Energy: 0.9042611648004107
Energy: 0.889269702210964
Energy: 0.9482783627993245
Energy: 0.9037710579357868
Energy: 0.8891261295501328
Energy: 0.9258702565177969
Energy: 0.9093157797688791
Energy: 0.9013191913839311
Energy: 0.8953121149264237
Energy: 0.9547630030603826
Energy: 0.9035160389047057
Energy: 0.889581771344332
Energy: 0.9349221099859857
Energy: 0.913792476118891
Energy: 0.9081523613399358
Energy: 0.9025643688177821
Energy: 0.9493545688500836
Energy: 0.9243945620671156
Energy: 0.9031690650946844
Energy: 0.9485330950960904
Energy: 0.9208587380394546
Energy: 0.9328104176883153
Energy: 0.9141418326874265
Energy: 0.9289805465276441
Energy: 0.9212266995356052
Energy: 0.9020170906814858
Energy: 0.937430301296356
Energy: 0.9289243076522047
Energy: 0.929778138833893
Energy: 0.9334390542765545
Energy: 0.9339833985267744
Energy: 0.9332621986509066
Energy: 0.9437714578183698
Energy: 0.9337410926762667
Energy: 0.9487925591308661
Energy: 0.9283340064293492
Energy: 0.9512611706943244
Energy: 0.9428737377202046
Energy: 0.9502739351981424
Energy: 0.9674195323212837
Energy: 0.9427357617204246
Energy: 0.9458146165588094
Energy: 0.9235819223103279
Energy: 0.9472627385691612
Energy: 0.9340792893941464
Energy: 0.9263826012853253
Energy: 0.9278663529827805
Energy: 0.9334727733608921
Energy: 0.9445267541174052
Energy: 0.950020053640692
Energy: 0.9701360400593803
Energy: 0.9339657088220007
Energy: 0.9267875704046128
Energy: 0.9847090597307399
Energy: 0.9504047289675521
Energy: 0.9379808123981945
Energy: 0.9690576223490105
Energy: 0.9625847440277508
Energy: 0.9417959284151036
Energy: 0.9735324637839554
Energy: 0.9852863954053587
Energy: 0.9528011567019493
Energy: 0.950763233507823
Energy: 0.9667278771244638
Energy: 0.95210824994043
Energy: 0.9560826482746566
Energy: 0.9711632504635561
Energy: 0.9519247714489756
Energy: 0.9677684752119601
Energy: 0.9512156749459765
Energy: 0.9676541382597411
Energy: 0.9564965419129944
Energy: 0.9762638246210192
Energy: 0.9525239959209961
Energy: 0.9519942115617424
Energy: 0.9456875099216624
Energy: 0.935388411268766
Energy: 0.9772021361889089
Energy: 0.9683125546586365
Energy: 0.9926035262637685
Energy: 0.9683505575555459
Energy: 0.9685292239028309
Energy: 0.9685932350786369
Energy: 0.9818129522621729
Energy: 0.9653636943978919
Energy: 0.9869706377350742
Energy: 1.0103091833275504
Energy: 0.9688159570880589
Energy: 0.9813260671815347
Energy: 1.0063700771916475
Energy: 0.9762473557734743
Energy: 1.0023707724585507
Energy: 0.985700287536359
Energy: 0.968459073414671
Energy: 0.9660818401542122
Energy: 0.9540453294693515
Energy: 0.9686159900490509
Energy: 0.9808065575951745
Energy: 0.9660515891554473
Energy: 0.9803745397356104
Energy: 1.0036096030285533
Energy: 0.9679564846871658
Energy: 0.9820663747204562
Energy: 1.0024618514085533
Energy: 0.968827277716716
Energy: 0.9685087915150298
Energy: 1.0009936008431246
Energy: 1.0015463211853588
Energy: 0.9686765388015486
Energy: 0.9687974932888723
Energy: 0.9810626290800586
Energy: 0.9823514890496187
Energy: 1.0061735898245534
Energy: 0.9366449901998335
Energy: 0.9528571885475294
Energy: 0.9675083403426961
Energy: 0.967754536714346
Energy: 0.9459609777256119
Energy: 0.9663860476685616

minimum gb energy = 0.8656692676103512 eV
minimum distance =  2.31311035052 Angstroms
sigma value = 365


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

Energy: 1.0246915998077566
Energy: 1.1586535473345254
Energy: 1.1511808695441077
Energy: 1.1486814785771444
Energy: 1.1481157935383581
Energy: 1.149943860771321
Energy: 1.1488798094179966
Energy: 0.824675266421877
Energy: 0.3515412496138149
Energy: 0.3514166559493287
Energy: 0.35101522272126195
Energy: 0.3510319827496907
Energy: 0.3512719969844832
Energy: 0.35161263663853326
Energy: 0.36655263403113597
Energy: 0.3515158809686074
Energy: 0.3514095870475591
Energy: 0.3511203033547944
Energy: 0.3510617436382717
Energy: 0.3511176164161679
Energy: 0.3513184722832969
Energy: 0.8103999851551001
Energy: 0.8236557491699933
Energy: 1.1583653046631843
Energy: 1.1613686674216415
Energy: 1.161245941396817
Energy: 1.1583775814700799
Energy: 1.158306477583008
Energy: 0.8249037262830717
Energy: 0.8248791313748897
Energy: 0.8246998159770658
Energy: 0.8110121177231302
Energy: 1.1583449585627172
Energy: 0.8227390593965265
Energy: 0.8234931802412665
Energy: 0.366567690264534
Energy: 0.35142481054009694
Energy: 0.3511027834104287
Energy: 0.3510576484500395
Energy: 0.3509604524305167
Energy: 0.350989641446718
Energy: 0.35120554911431984
Energy: 0.8107176345995117
Energy: 0.8234032964696719
Energy: 1.1585055320156028
Energy: 1.158506423363633
Energy: 1.158220912180237
Energy: 1.158541238982194
Energy: 0.824304023018557
Energy: 0.8111658825402335
Energy: 0.8243963064716779
Energy: 1.158582523351967
Energy: 1.158353241318042
Energy: 1.1585426677475683
Energy: 1.158411119215956
Energy: 0.8237689673022492
Energy: 0.3666232365024237
Energy: 0.35116456119237666
Energy: 0.35098102664271813
Energy: 0.35093346910272505
Energy: 0.35114091305193396
Energy: 0.35104375962417833
Energy: 0.35126026176260194
Energy: 0.8248697671108715
Energy: 0.8245746534057775
Energy: 0.8237724034804358
Energy: 0.8104288165459719
Energy: 0.8103100627527335
Energy: 0.8248971754103616
Energy: 0.8245041133508383
Energy: 0.8098370975016842
Energy: 0.8248063153999462
Energy: 1.1584650643466217
Energy: 1.1607911538958156
Energy: 1.1609618683210394
Energy: 1.1612632338700704
Energy: 1.1582901610075895
Energy: 0.3668662083058842
Energy: 0.3514953763772171
Energy: 0.3511662781597553
Energy: 0.3511130684028692
Energy: 0.3511142917111559
Energy: 0.35122814287037096
Energy: 0.3512967600060197
Energy: 0.3666617233398278
Energy: 0.3517685128972277
Energy: 0.3513976061052246
Energy: 0.3512087613323615
Energy: 0.35103914594876645
Energy: 0.3513130326739425
Energy: 0.35145681659633116
Energy: 0.8105198301609641
Energy: 0.8239387348609781
Energy: 1.161220550719233
Energy: 1.1596569974318047
Energy: 1.1593816553554246
Energy: 1.1605796084620594
Energy: 1.158058309053637
Energy: 0.8257079548137909
Energy: 0.8249536370287346
Energy: 0.8249428747264494
Energy: 0.3508893843142609
Energy: 0.3509559140062869
Energy: 0.35130766706775873
Energy: 0.8105355130779647
Energy: 0.3665239508268618
Energy: 0.35155047444104837
Energy: 0.35129471005537355
Energy: 0.35118297968461454
Energy: 0.3510630600303378
Energy: 0.3510419841428925
Energy: 0.3512662348018869
Energy: 0.8103697542575177
Energy: 0.823855196083668
Energy: 1.158370038000139
Energy: 1.1587789725403523
Energy: 1.1584407342796514
Energy: 1.158400902347193
Energy: 1.1584904276702828
Energy: 0.8245921449295873
Energy: 0.8244939015923524
Energy: 0.8248089351575281
Energy: 1.158348794486149
Energy: 1.158307170165211
Energy: 0.8228199332906116
Energy: 0.8237159697958347
Energy: 0.3666154269030831
Energy: 0.351337874908805
Energy: 0.3512404425030328
Energy: 0.3510516879780622
Energy: 0.35110929637339267
Energy: 0.35109041031883764
Energy: 0.35124123543657415
Energy: 0.8120278239209944
Energy: 0.8237963933321346
Energy: 0.8237055167451739
Energy: 1.1584111187992128
Energy: 1.1583112314104613
Energy: 1.1584971040117433
Energy: 0.8247801902808778

minimum gb energy = 0.3508893843142609 eV
minimum distance =  2.40028597064816 Angstroms
sigma value = 23