Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834252
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4558483881278797e-19, 2.90855941783092e-19, 3.2776528490055e-19, 3.5962136291437197e-19, 4.79688479866332e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.85311829073892e-19, 6.82496804727954e-19, 6.78172529992788e-19, 6.7204901089764e-19, 6.63780177289566e-19, 6.52939850183922e-19, 6.39015333057828e-19, 6.213721639642199e-19, 5.992284807057059e-19, 5.716085577121799e-19, 5.37293138565168e-19, 4.94750542402566e-19, 4.4202451155426e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-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: 0.014917206429495261
Energy: 0.015241183518953316
Energy: 0.09738413675000673
Energy: 0.09695787008579672
Energy: 0.11073129394757397
Energy: 0.10899840761396629
Energy: 0.11039833253946371
Energy: 0.09612790316389631
Energy: 0.09609990677757788
Energy: 0.01761070667395231
Energy: 0.015185787628897116
Energy: 0.09566441104929024
Energy: 0.10944578787708151
Energy: 0.01564111876067905
Energy: 0.016295286584933455
Energy: 0.09608874303297373
Energy: 0.09582618914286438
Energy: 0.10909932231424403
Energy: 0.09555079668011211
Energy: 0.11006332372993502
Energy: 0.09636626942576207
Energy: 0.09585972462093262
Energy: 0.10902723538732649
Energy: 0.015194536417306056
Energy: 0.09692139316799774
Energy: 0.10910316725452392
Energy: 0.01535208545192898
Energy: 0.015283977565314652
Energy: 0.10919591687350812
Energy: 0.09721823296325106
Energy: 0.016551591385417678
Energy: 0.10945582018433063
Energy: 0.09560730740360476
Energy: 0.09621940518903416
Energy: 0.09595408557581432
Energy: 0.11065002436312604
Energy: 0.016064442603845618
Energy: 0.015494715293868673
Energy: 0.09602795546481642
Energy: 0.015211485427777742
Energy: 0.01679202877383205
Energy: 0.09760067171590112
Energy: 0.09592747197773047
Energy: 0.01577765589306826
Energy: 0.015174118377397572
Energy: 0.09588672520567401
Energy: 0.09638459471225519
Energy: 0.0974588220988755
Energy: 0.09572254778584453
Energy: 0.015097167462419864
Energy: 0.09603494551265776
Energy: 0.0993523954864123
Energy: 0.11037444889741994
Energy: 0.01535558501204406
Energy: 0.015102907559814567
Energy: 0.09679865914576058
Energy: 0.015558402601577946
Energy: 0.016881733197939015
Energy: 0.10980257669145563
Energy: 0.09623689359166246
Energy: 0.015227992528725238
Energy: 0.10933537746207211
Energy: 0.09563258146072186
Energy: 0.10912157238771866
Energy: 0.0963233609451984
Energy: 0.10904563035929081
Energy: 0.015192034961496867
Energy: 0.01663843247046433
Energy: 0.10906538274965791
Energy: 0.09604008575818213

minimum gb energy = 0.014917206429495261 eV
minimum distance =  2.47838967982582 Angstroms
sigma value = 3


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

Energy: 1.5257395443111164
Energy: 1.354426636065578
Energy: 1.3288918975703095
Energy: 1.291723015197281
Energy: 1.3549618929434748
Energy: 1.3421237362815723
Energy: 1.3388247421586625
Energy: 1.311147352831085
Energy: 1.3367943784031364
Energy: 1.346632932796044
Energy: 1.4481572897121702
Energy: 1.3266230065389133
Energy: 1.3417225446714056
Energy: 1.382231230253768
Energy: 1.3583004300018238
Energy: 1.3208088421647186
Energy: 1.3010416598583927
Energy: 1.344995071169554
Energy: 1.3218290464640798
Energy: 1.338322101576775
Energy: 1.3467101974926114
Energy: 1.279337152665793
Energy: 1.3266512412525358
Energy: 1.3027304803182427
Energy: 1.442211703769086
Energy: 1.443500600976741
Energy: 1.3966906091221027
Energy: 1.2805221837911038
Energy: 1.3166445153437725
Energy: 1.3684464870103699
Energy: 1.5169387018239215
Energy: 1.310709052221006
Energy: 1.3214858871638997
Energy: 1.3059460198488342
Energy: 1.241602159427754
Energy: 1.323504844530551
Energy: 1.3519485424854596
Energy: 1.379247147382038
Energy: 1.508776989195281
Energy: 1.4594421881036317
Energy: 1.5917415631973004
Energy: 1.3141838744438752
Energy: 1.4854378480360126
Energy: 1.4254888405065693
Energy: 1.273068052037062
Energy: 1.337168050224075
Energy: 1.3025861688046982
Energy: 1.3048076661539771
Energy: 1.3421811844518134
Energy: 1.2696743648195992
Energy: 1.3790202527892348
Energy: 1.3268396745213347
Energy: 1.2544136224032247
Energy: 1.2515828463235745
Energy: 1.399927496650333
Energy: 1.416412557806971
Energy: 1.4009056958344326
Energy: 1.2462074144233573
Energy: 1.302698513742532
Energy: 1.2849471000335453
Energy: 1.3649930276104447
Energy: 1.2419132038738296
Energy: 1.237312424177894
Energy: 1.2745353469503318
Energy: 1.35945295625708
Energy: 1.2753969633502398
Energy: 1.2608941862656524
Energy: 1.412177548799478
Energy: 1.37130941062845
Energy: 1.3144642801968252
Energy: 1.2353715244598003
Energy: 1.245895781621102
Energy: 1.3218083504389686
Energy: 1.3045489476656265
Energy: 1.2973901879803649
Energy: 1.232800160710623
Energy: 1.262212641356951
Energy: 1.4456890940607483
Energy: 1.2777258789515624
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Energy: 1.3994308027583078
Energy: 1.2557009585893415
Energy: 1.2367971504127262
Energy: 1.2383377678539431
Energy: 1.3129165369636855
Energy: 1.2881717771527903
Energy: 1.3503250915999965
Energy: 1.3841358411398132
Energy: 1.2324372984228789
Energy: 1.3283336849737655
Energy: 1.3597521272291901
Energy: 1.2393002994932905
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Energy: 1.325771442734327
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Energy: 1.2443823108790173
Energy: 1.2427770826565911
Energy: 1.342771311377047
Energy: 1.268800507671044
Energy: 1.2601996888223121
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Energy: 1.3517109625671115
Energy: 1.3800250886331893
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Energy: 1.374674654514045
Energy: 1.3031664366443994
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Energy: 1.3728321112064963
Energy: 1.4044032658549626
Energy: 1.3550911520140427
Energy: 1.399416914292777
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Energy: 1.3079827941763245
Energy: 1.3586462669870998
Energy: 1.2763666017809612
Energy: 1.321156365930254
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Energy: 1.3141211036281375
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Energy: 1.323385425852278
Energy: 1.3670792112690198
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Energy: 1.289952488502572
Energy: 1.4383029943648884
Energy: 1.5903381486935324
Energy: 1.3517397106091773
Energy: 1.3979462015702606
Energy: 1.4942033901335066
Energy: 1.2945754170650745
Energy: 1.3094088044265801
Energy: 1.3443693528662595
Energy: 1.28336721431986
Energy: 1.2868935575633866
Energy: 1.5678217254185716
Energy: 1.310839555484777
Energy: 1.4222829550399985
Energy: 1.3096869192763605
Energy: 1.2991159531642242
Energy: 1.4790154434617908
Energy: 1.3347400123172275
Energy: 1.3135412793761643
Energy: 1.3409995745158108
Energy: 1.2971005020053792
Energy: 1.3339508390927248
Energy: 1.3333284225666489
Energy: 1.3678367639450502
Energy: 1.29958040852212
Energy: 1.3204277166945413
Energy: 1.3743678492521636
Energy: 1.311229744141163
Energy: 1.2920731172608944
Energy: 1.661831611458732
Energy: 1.4185414887497485
Energy: 1.3373825671168964
Energy: 1.4363732667821687
Energy: 1.4069954601491306
Energy: 1.2919592831503786
Energy: 1.318537317743788
Energy: 1.37083054604382
Energy: 1.3550672148376395
Energy: 1.2868787380152997
Energy: 1.3058031273884398
Energy: 1.3148826403534628
Energy: 1.3554994410915087
Energy: 1.3266222081188803
Energy: 1.2869405024699612
Energy: 1.491860911250143
Energy: 1.6067495832481922
Energy: 1.3784015924247686
Energy: 1.3146852589911617
Energy: 1.2789299993115264
Energy: 1.3123104898778686
Energy: 1.370117038235694
Energy: 1.28547638433431
Energy: 1.340071990762364
Energy: 1.2920290399010221
Energy: 1.3353012203527774
Energy: 1.3591304905872834
Energy: 1.2666362295099842
Energy: 1.3616432394065612
Energy: 1.3948936120036963
Energy: 1.3953271253514015
Energy: 1.5604843074328576
Energy: 1.2687287315790843
Energy: 1.3352637464424937
Energy: 1.4125647696088803
Energy: 1.238797024085607
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Energy: 1.2799538355758762
Energy: 1.3436509265762289
Energy: 1.418128867636315
Energy: 1.312044647431151
Energy: 1.2461219150731406
Energy: 1.5068185408463328
Energy: 1.2816731493400841
Energy: 1.259701510999024
Energy: 1.4168231014170363
Energy: 1.277075315919656
Energy: 1.3060066761623157
Energy: 1.4019126343829487
Energy: 1.3209659130159572
Energy: 1.2372560401593
Energy: 1.3017211037186638
Energy: 1.37929891302521
Energy: 1.2330782323484584
Energy: 1.2270126859372807
Energy: 1.4628793403542744
Energy: 1.3342251021790197
Energy: 1.2426169203367186
Energy: 1.2418865564855333
Energy: 1.257859208492172
Energy: 1.3103616978335257
Energy: 1.2919996189744583
Energy: 1.3031511347437998
Energy: 1.3567684569462246
Energy: 1.2884387855248467
Energy: 1.3555873151177855
Energy: 1.3538698962051698
Energy: 1.2400669386484806
Energy: 1.3560542353862672
Energy: 1.3962093032580798
Energy: 1.2625849783184069
Energy: 1.2668068331442774
Energy: 1.234685631261549
Energy: 1.2858248309803628
Energy: 1.2886151264162882
Energy: 1.2368725271970509
Energy: 1.2394099649616652
Energy: 1.3435154841966548
Energy: 1.2926763319832955
Energy: 1.3095536037991506
Energy: 1.239610327708432
Energy: 1.2525254862104485
Energy: 1.310648834894205
Energy: 1.394996162012076
Energy: 1.2492323779816359
Energy: 1.3184776180673785
Energy: 1.33248464944491
Energy: 1.2909045175118026
Energy: 1.2728270713251906
Energy: 1.2610817988437848
Energy: 1.4227807490555209
Energy: 1.2794232025789918
Energy: 1.4632924166015773
Energy: 1.3098161814232698
Energy: 1.3048560413934658
Energy: 1.3476953089114072
Energy: 1.3269377558790125
Energy: 1.2727961951934765
Energy: 1.344344854779559
Energy: 1.2599864463123682
Energy: 1.2927145178970572
Energy: 1.3520643847627851
Energy: 1.305352246669703
Energy: 1.3713583226227015
Energy: 1.5283406239770314
Energy: 1.4990967708501426
Energy: 1.2871662254384513
Energy: 1.3460247924598254
Energy: 1.3271883314928994
Energy: 1.3085516217155815
Energy: 1.2868728714979525
Energy: 1.3202808952873881
Energy: 1.2517833892782482
Energy: 1.3371687143767559
Energy: 1.35894865743428
Energy: 1.2804868514800458
Energy: 1.3104999235756756
Energy: 1.5037071172988488
Energy: 1.5041853732334387
Energy: 1.8081146772325465
Energy: 1.3204251410595687
Energy: 1.3347407026633606
Energy: 1.2799238614342017
Energy: 1.3912928859254765
Energy: 1.3280310788532677
Energy: 1.3460041538889924
Energy: 1.29064372780198
Energy: 1.3020030534028961
Energy: 1.3193519222208612
Energy: 1.3211143226096875
Energy: 1.408779365275377
Energy: 1.6106415008948785
Energy: 1.4221353049276766

minimum gb energy = 1.2270126859372807 eV
minimum distance =  2.26479091752561 Angstroms
sigma value = 75


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

Energy: 2.6715351819095887
Energy: 1.35817560713899
Energy: 1.4277205240447186
Energy: 1.2427951853551362
Energy: 1.340075993743057
Energy: 1.3546763280241563
Energy: 1.2980527847769079
Energy: 1.3085064823164436
Energy: 1.3358325710409202
Energy: 1.3579646222794282
Energy: 1.2922886425131386
Energy: 1.336257472241628
Energy: 1.3276581853135552
Energy: 1.6693327102693973
Energy: 1.3784177788152547
Energy: 1.2858359367645993
Energy: 1.2898477353146713
Energy: 1.28900278872635
Energy: 1.298647413817059
Energy: 1.3228432669088885
Energy: 1.3415920783983686
Energy: 1.3110062919868735
Energy: 1.31825297817989
Energy: 1.235861942076737
Energy: 1.355943781654264
Energy: 1.407379960907144
Energy: 1.3381289867236346
Energy: 1.2546816854281069
Energy: 1.453771729266239
Energy: 1.4073529951167822
Energy: 1.38129256857569
Energy: 1.3089931806137183
Energy: 1.4653360547247474
Energy: 1.3845702990509718
Energy: 1.3520028606103753
Energy: 1.3091195784225622
Energy: 1.3011269412326845
Energy: 1.3498558570236068
Energy: 1.3137507769438606
Energy: 1.3539278165901563
Energy: 1.379183698152739
Energy: 1.4122350623046098
Energy: 1.323644144442872
Energy: 1.3547765607741806
Energy: 1.2888701634015738
Energy: 1.3387283047895584
Energy: 1.2914446082159923
Energy: 1.3236149843320606
Energy: 1.3001306406939026
Energy: 1.3133139738892596
Energy: 1.2632991619410683
Energy: 1.4520451230649958
Energy: 1.2853979513193783
Energy: 1.2862883296458814
Energy: 1.3473925250780023
Energy: 1.3117530388760772
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Energy: 1.3597157385294312
Energy: 1.3197119646624176
Energy: 1.3158051197476102
Energy: 1.2704188805136414
Energy: 1.2550360354545276
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Energy: 1.3274032363204586
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Energy: 1.3326114145203631
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Energy: 1.4466259761985116
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Energy: 1.3229924432490192
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Energy: 1.7211461479548604
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Energy: 1.3506117092715682
Energy: 1.318222031624999
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Energy: 1.718644459371129
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Energy: 1.2511001771712897
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Energy: 1.3573831387923483
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Energy: 1.4239951052637496
Energy: 1.238395311104373
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Energy: 1.291944164058881
Energy: 1.3015057596209973
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Energy: 1.3707463733475114
Energy: 1.308454414912437
Energy: 1.3212905388818552
Energy: 1.3731826925010224
Energy: 1.2458618959223418
Energy: 1.2993056790897195
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Energy: 1.3247261178488383
Energy: 1.4900149857593858
Energy: 1.4545247041431077
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Energy: 1.3621331984415308
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Energy: 1.3019101748222073
Energy: 1.2480667475668321
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Energy: 1.3210805602372615
Energy: 1.265026102086339
Energy: 1.4108635075153473
Energy: 1.3099145051354117
Energy: 1.3080955841504638
Energy: 1.2908167389217546
Energy: 1.289424816834827
Energy: 1.3173028526172135
Energy: 1.2974234359132935
Energy: 1.3531878193090037
Energy: 1.4037517230015828
Energy: 1.2646413773588674
Energy: 1.3310905617446798
Energy: 1.3828470198782954
Energy: 1.2880049756306644
Energy: 1.3767574608856563
Energy: 1.3469695675322153
Energy: 1.2616015808820098
Energy: 1.3201430306139517
Energy: 1.2618505796542072
Energy: 1.2910471755470978
Energy: 1.32879579295287
Energy: 1.3077485217783127
Energy: 1.3056529957452945
Energy: 1.3067219600054187
Energy: 1.3322806835423404
Energy: 1.3970335269723673
Energy: 1.2542581737166056
Energy: 1.2688571696178894
Energy: 1.3392930031155494
Energy: 1.2295590700874983
Energy: 1.3104832966422018
Energy: 1.3495043316992925
Energy: 1.3272722987683025
Energy: 1.3929205750948679
Energy: 1.4193243772473327
Energy: 1.4634041269867473
Energy: 1.2995380413938413
Energy: 1.3894856090393488
Energy: 1.2958451930019648
Energy: 1.4347279318998698
Energy: 1.2974901428712962
Energy: 1.3150777874951118
Energy: 1.4125943698302255
Energy: 1.4264693921119678
Energy: 1.3595648236809565
Energy: 1.3086237694542955
Energy: 1.4064327540170223
Energy: 1.4347119277285674
Energy: 1.456228267533404
Energy: 1.2954301606863914
Energy: 1.3351196165894976
Energy: 1.450310966729727
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minimum gb energy = 1.228744895935349 eV
minimum distance =  2.27088514225812 Angstroms
sigma value = 105


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

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Energy: 1.710817345704616
Energy: 1.519000902630495
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Energy: 1.4957818694096998
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Energy: 1.2265582123763992
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Energy: 1.3739344955013284
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Energy: 1.3184980292380868
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Energy: 1.523602433974409
Energy: 1.3324601013425612
Energy: 1.237755898860254
Energy: 1.1531331307139445
Energy: 1.3681932287558927
Energy: 2.0188870249425137
Energy: 1.3254265739771491
Energy: 1.3263513184514593
Energy: 1.258838108641373
Energy: 1.3023779359279877
Energy: 1.3889178681082426
Energy: 1.3154688179656535
Energy: 1.301208912974951
Energy: 1.354638538185323
Energy: 1.4477413675547774
Energy: 1.4011827317998125
Energy: 1.2933166851148237
Energy: 1.39180471223926
Energy: 1.2732793617434193
Energy: 1.4290741454670137
Energy: 1.260748677742528
Energy: 1.4584317867712289
Energy: 1.4554800538883714
Energy: 1.4576879964892124
Energy: 1.4259471938841595
Energy: 1.3554485074138805
Energy: 1.3213868530636468
Energy: 1.3161690250362066
Energy: 1.3035292352089627
Energy: 1.400239044521575
Energy: 1.291460419177305
Energy: 1.3198795126557374
Energy: 1.5311071369596803
Energy: 1.27832051763092
Energy: 1.3064316258946447
Energy: 1.3052331747317663
Energy: 1.299350055884965
Energy: 1.303150698171559
Energy: 1.249405056445991
Energy: 1.3399374386686693
Energy: 1.4310837713108826
Energy: 1.2842001836730257
Energy: 1.201906827352096
Energy: 1.3767631061701635
Energy: 1.3106864002116545
Energy: 1.436691249550197
Energy: 1.2175140171021577
Energy: 1.2788659860847305
Energy: 1.3384902818420004
Energy: 1.2849704870966576
Energy: 1.3506079257870611
Energy: 1.35169270630028
Energy: 1.4227945949638898
Energy: 1.4334647088517602
Energy: 1.4185162345865876
Energy: 1.324518567937355
Energy: 1.2836336181302723
Energy: 1.2725787452144277
Energy: 1.2851248597129599
Energy: 1.314954255116326
Energy: 1.3162236992758933
Energy: 1.4322901434426587
Energy: 1.3841736932410527
Energy: 1.3167699105965172
Energy: 1.3146130065452872
Energy: 1.4644986658630672
Energy: 1.5192422058201194
Energy: 1.2332721761593919
Energy: 1.2576893246327325
Energy: 1.2470914441772056
Energy: 1.8384353724701137
Energy: 1.3256405838635696
Energy: 1.1934774218741586
Energy: 1.3206966264303237
Energy: 1.370473214666049
Energy: 1.31448006614143
Energy: 1.2456651504845642
Energy: 1.2950223668174456
Energy: 1.523928895437385
Energy: 1.2297874770266768

minimum gb energy = 1.0837479000732462 eV
minimum distance =  2.26986992800384 Angstroms
sigma value = 165


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

Energy: 2.082625339197588
Energy: 1.265493797991447
Energy: 1.2282075825926217
Energy: 1.2783597128107558
Energy: 1.3934731080915734
Energy: 1.2414575782553987
Energy: 1.2404446957387876
Energy: 1.2528696991386263
Energy: 1.4417572987987544
Energy: 1.225160334949168
Energy: 1.2858178054941845
Energy: 1.561571024242596
Energy: 1.6124206019888174
Energy: 1.5484909030948215
Energy: 1.44598669178524
Energy: 1.5406928347536628
Energy: 1.2442419398669247
Energy: 1.2431868181770191
Energy: 1.2442808006918586
Energy: 1.398573223964946
Energy: 1.281771562708454
Energy: 1.26482170098445
Energy: 1.2651237670436644
Energy: 1.3641801072877469
Energy: 1.5767081048118075
Energy: 1.4062698855760734
Energy: 1.7374041047491549
Energy: 1.5014278039694748
Energy: 1.303582727363524
Energy: 1.2738268516178244
Energy: 1.3358938441704684
Energy: 1.3076665239606835
Energy: 1.3057246739007762
Energy: 1.2991049999661237
Energy: 1.232060257791755
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Energy: 1.2304912056812662
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Energy: 1.5580145896155286
Energy: 1.294340232308472
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Energy: 1.2253351757920992
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Energy: 1.2939125550403492
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Energy: 1.2294750712185578
Energy: 1.2765501284130323
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Energy: 1.3651970112960574
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Energy: 1.289312460967191
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Energy: 1.2395617163652177
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Energy: 1.5743384483645972
Energy: 1.7449764118073032
Energy: 1.6602531457136604
Energy: 1.9039451778048724
Energy: 1.6489946769220754
Energy: 1.2651907968309357
Energy: 1.5814459781012267
Energy: 1.6705386388517292
Energy: 1.2378096817296818
Energy: 1.2599018008731058
Energy: 1.3074648636727657
Energy: 1.2919272969930276
Energy: 1.2476479185148694
Energy: 1.5946976927721164
Energy: 1.3650379741775582
Energy: 1.6819543190810986
Energy: 1.372696180679361
Energy: 1.2247066425937159
Energy: 1.723612798325738
Energy: 1.2431425711820234
Energy: 1.2473460673913415
Energy: 1.2617679844939955
Energy: 1.315997894868357
Energy: 1.3219516627213765
Energy: 1.3301511802196244
Energy: 1.2807309322201748
Energy: 1.2799244781000285
Energy: 1.2365871704452536
Energy: 1.2882620116962562
Energy: 1.4728165411305354
Energy: 1.3141577442953647
Energy: 1.2744932678172056
Energy: 1.3052250758166786
Energy: 1.2366404486237692
Energy: 1.2545403557904622
Energy: 1.2707608433866857
Energy: 1.2744157997372492
Energy: 1.2335109086209337
Energy: 1.2398743835589974
Energy: 1.2485111573143457
Energy: 1.2610688274994306
Energy: 1.277976166272741
Energy: 1.2579674547514443
Energy: 1.2434319168730088
Energy: 1.2554630390958177
Energy: 1.2248213726638273
Energy: 1.2568029610515732
Energy: 1.340349829033217
Energy: 1.3120261393901806
Energy: 1.2193256707792874
Energy: 1.3050923231647602
Energy: 1.30047557945824
Energy: 1.321570659287712
Energy: 1.337777365451377
Energy: 1.2416576524307013
Energy: 1.2322498834964764
Energy: 1.3342020323841368
Energy: 1.2354584048308743
Energy: 1.277389251666444
Energy: 1.255711827773793
Energy: 1.2664050521052068
Energy: 1.3031873036099355
Energy: 1.526737849141844
Energy: 1.3737150685927098
Energy: 1.301714693002876
Energy: 1.5577628488409012

minimum gb energy = 1.2193256707792874 eV
minimum distance =  2.22719804870639 Angstroms
sigma value = 41


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

Energy: 3.0620685303503348
Energy: 1.3203394593527076
Energy: 1.4666267996571827
Energy: 1.3127662995574783
Energy: 1.202016334002437
Energy: 1.3746836009785097
Energy: 1.4593751205097023
Energy: 1.4221404293342232
Energy: 1.3923237831491515
Energy: 1.5037912499970711
Energy: 1.1931080833866157
Energy: 1.8206429473300754
Energy: 1.5169441152015146
Energy: 1.6021863916871215
Energy: 1.6639885743292726
Energy: 1.6303120462037866
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Energy: 1.3570392558163173
Energy: 1.3829649157466388
Energy: 1.3238540175010074
Energy: 1.2150705145162453
Energy: 1.350913206669298
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Energy: 1.3402253905799064
Energy: 1.974160361047346
Energy: 1.7050192086989422
Energy: 1.5767041635547359
Energy: 1.6139652694615507
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Energy: 1.2663484577342465
Energy: 1.2497616747037221
Energy: 1.2056809040636498
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Energy: 1.2096765020613296
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Energy: 1.4640528110635465
Energy: 1.2314479427965448
Energy: 1.1943383381450265
Energy: 1.2165225224854253
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Energy: 1.1583935128593374
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Energy: 1.2388624510939203
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Energy: 1.309097309049383
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Energy: 1.1839920628821161
Energy: 1.1841776733993323
Energy: 1.1459102079991168
Energy: 1.1431378795935803
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Energy: 1.169221791499356
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Energy: 1.3539403387597764
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Energy: 1.2561542714914606
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Energy: 1.2503402655035494
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Energy: 1.3458321301211498
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Energy: 1.1792847213938749
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Energy: 1.1826618215522966
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Energy: 1.6302275967636193
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Energy: 1.661906936917141
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Energy: 1.493284454990489
Energy: 1.5715979535836615
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Energy: 1.1841227849881624
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Energy: 1.379467917197496
Energy: 1.2138941867436546
Energy: 1.214550121035043
Energy: 1.3901305161813315
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Energy: 1.4838880066810038
Energy: 1.4953957136395428
Energy: 1.3703723004085613
Energy: 1.4066765212265044
Energy: 1.2721823300694102
Energy: 1.1984373938756323
Energy: 1.197336156680576
Energy: 1.2254963434925594
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Energy: 1.420160005283121
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Energy: 1.3903224792590505
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Energy: 1.4702633327633496
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Energy: 1.1938077351433278
Energy: 1.2436010154553476
Energy: 1.2344431980720036
Energy: 1.2329186783983108
Energy: 1.2416388466533486
Energy: 1.4017032411214492
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Energy: 1.3581722374566982
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Energy: 1.4969183627929283
Energy: 1.2232457482873627
Energy: 1.1916497506495285
Energy: 1.2319512517405111
Energy: 1.3171268778378538
Energy: 1.3704947506524767
Energy: 1.2384809051526444
Energy: 1.1824562875835776
Energy: 1.3895183221668028
Energy: 1.349911450135714
Energy: 1.3960199361413717
Energy: 1.5152855750407286
Energy: 1.1596700829081479
Energy: 1.3606613502520124
Energy: 1.5099390986788503
Energy: 1.3722231496687494
Energy: 1.1867655541123965
Energy: 1.307920396463425
Energy: 1.419073025476368
Energy: 1.4180384006100173
Energy: 1.3364664852680745
Energy: 1.2899814884008025
Energy: 1.2393200037686707
Energy: 1.5230443118282635
Energy: 1.4066515580445857
Energy: 1.6339916106367884
Energy: 1.4155449667114486
Energy: 1.6990864568664688
Energy: 1.5131630618593719
Energy: 1.3295814073040852
Energy: 1.27061922788679
Energy: 1.2374111034314412
Energy: 1.188448029962835
Energy: 1.3755437148949072
Energy: 1.3475601533264545
Energy: 1.2508017920681471
Energy: 1.4190341630186167
Energy: 1.3954160087977017
Energy: 1.384590361971384
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Energy: 1.491573802079873
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Energy: 1.2129483204725229
Energy: 1.2559959895203465
Energy: 1.195071011061887
Energy: 1.3553324853988091
Energy: 1.3833689824805064
Energy: 1.1567880858017414
Energy: 1.3637959221677607
Energy: 1.2809258889778647
Energy: 1.393440229852291
Energy: 1.2381067767656524
Energy: 1.2113994659148644
Energy: 1.211315242663585
Energy: 1.1710449642625824
Energy: 1.2906188034471402
Energy: 1.2626753159217787
Energy: 1.2021130745271402
Energy: 1.2648161602627983
Energy: 1.3581845637243295
Energy: 1.479950875969884
Energy: 1.3040551964418885
Energy: 1.1687338241983203
Energy: 1.2875871625287407
Energy: 1.1727155390430377
Energy: 1.156254184062889
Energy: 1.451221112660085
Energy: 1.3743211299465663
Energy: 1.2653287304911103
Energy: 1.8783191231147973
Energy: 1.363390855816968
Energy: 1.5845682873084794
Energy: 1.68505038429041
Energy: 1.1454587628814343
Energy: 1.4432139049670203
Energy: 1.3678406049065217
Energy: 1.4898812822410812
Energy: 1.5261825093986934
Energy: 1.3694739532524591
Energy: 1.475051350437262
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Energy: 1.522064151867244
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Energy: 1.5007075484168282
Energy: 1.504131354347791
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Energy: 1.1605916182971174
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Energy: 1.1763681450783219
Energy: 1.1959826203613453
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Energy: 1.4234236251089507
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Energy: 1.342521709159817
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Energy: 1.617632115540719
Energy: 1.4423383219955115
Energy: 1.2148374597830693
Energy: 1.2238472132393834
Energy: 1.218322084054976
Energy: 1.18107964217634
Energy: 1.1936995601209752
Energy: 1.1588185872459638
Energy: 1.2024225706672784
Energy: 1.1769886240374385
Energy: 1.2912764556192111
Energy: 1.3481099775627166
Energy: 1.423291090441685
Energy: 1.3155239520732138
Energy: 1.262609971331954
Energy: 1.196268256963632
Energy: 1.1605676740558566
Energy: 1.3217400590771764
Energy: 1.2547219115222206
Energy: 1.1716871046782185
Energy: 1.258186821493063
Energy: 1.2639579546973994
Energy: 1.1669195875602563
Energy: 1.6889580579338175
Energy: 1.1845062147794987
Energy: 1.144780961143331
Energy: 1.5688051752325123
Energy: 1.5845478043132546
Energy: 1.3949944064435282
Energy: 1.2085052202078497
Energy: 1.4201485538847556
Energy: 1.4466475178454743
Energy: 1.2557593536380816
Energy: 1.5285110762470568
Energy: 1.6078011630586808
Energy: 1.5760089853617212
Energy: 1.5855642474975935
Energy: 1.6729486297077494
Energy: 1.5320207673229096
Energy: 1.4968332447888009
Energy: 1.563240845751835
Energy: 1.4527837281162859
Energy: 1.3734781346281681
Energy: 1.1453484838160304
Energy: 1.1954623882604494
Energy: 1.8203198327516168
Energy: 1.4826718821682792
Energy: 1.1940847894324464
Energy: 1.3058768521135018
Energy: 1.2719277749593914
Energy: 1.4481928126363743
Energy: 1.236616027103984
Energy: 1.50150537398766
Energy: 1.1813839657792442
Energy: 1.2238313605217992
Energy: 1.3660858904670363
Energy: 1.1983985578263687
Energy: 1.2317769553100584
Energy: 1.2237442179073972
Energy: 1.3936268154678548
Energy: 1.231964777197476
Energy: 1.6193755750430876
Energy: 1.5725783011325534
Energy: 1.2083479722026804
Energy: 1.2116524927054804
Energy: 1.194746956002497
Energy: 1.1893952999379531
Energy: 1.229066633608175
Energy: 1.2396391078586733
Energy: 1.2438211983483523
Energy: 1.3454992078627883
Energy: 1.4795143685081935
Energy: 1.403149879216585
Energy: 1.4060208333475577
Energy: 1.3589442592843677
Energy: 1.1847464934731833
Energy: 1.1920009970952197
Energy: 1.2780720755628687
Energy: 1.2361195440270303
Energy: 1.3923403453166197
Energy: 1.246100159978184
Energy: 1.3951997916256345
Energy: 1.33007658358134
Energy: 1.4347759487439091
Energy: 1.5144051458684125
Energy: 1.1976993827923945
Energy: 1.5420096443627156
Energy: 1.3369256384173782
Energy: 1.4178280587405385
Energy: 1.3736680823730882
Energy: 1.1841041686945342
Energy: 1.26632925441155
Energy: 1.561753236721108
Energy: 1.3517695992343992
Energy: 1.4049876651457318
Energy: 1.4223446132183748

minimum gb energy = 1.1431378795935803 eV
minimum distance =  2.26656370329529 Angstroms
sigma value = 185


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

Energy: 3.2073387603192534
Energy: 1.166701851183273
Energy: 1.6947401419363106
Energy: 1.323689032544179
Energy: 1.3170328691672275
Energy: 1.4895193598264767
Energy: 1.435556937034671
Energy: 1.441022774769349
Energy: 1.2484126877803587
Energy: 1.1834110124307335
Energy: 1.3546695576043242
Energy: 1.3735611709006001
Energy: 1.2413407011903024
Energy: 1.6026262175699078
Energy: 1.3212557910679867
Energy: 1.261229655646107
Energy: 1.4175078116740558
Energy: 1.4624532309592346
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Energy: 1.3483133502123588
Energy: 1.3405527776598807
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Energy: 1.3343797782415951
Energy: 1.390473117295969
Energy: 1.54551749848309
Energy: 1.3398875240415127
Energy: 1.223141391725266
Energy: 1.2348307161308676
Energy: 1.2487430710486083
Energy: 1.267455324905302
Energy: 1.366383292037672
Energy: 1.267347335625396
Energy: 1.2302943684364558
Energy: 1.1938014872896603
Energy: 1.3312548890009062
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Energy: 1.4781317811854044
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Energy: 1.2370312050822392
Energy: 1.2409759833313134
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Energy: 1.3106886930979689
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Energy: 1.2097686598916608
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Energy: 1.519826286929078
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Energy: 1.3600635231340223
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Energy: 1.4479205995552134
Energy: 1.4636568148876166
Energy: 1.502749936654558
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Energy: 1.3641021556362638
Energy: 1.4691993265703058
Energy: 1.3086437368271642
Energy: 1.2706116105954548
Energy: 1.4472447375973825
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Energy: 1.4734974582758549
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Energy: 1.4239699598776725
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Energy: 1.4735621445153357
Energy: 1.3469234401111776
Energy: 1.5179479192159766
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Energy: 1.1803134923155403
Energy: 1.5252119707151146
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Energy: 1.3642732621285736
Energy: 1.364508836699207
Energy: 1.370861308150788
Energy: 1.3760641087911774
Energy: 1.347650437037535
Energy: 1.3141563920018542
Energy: 1.5531421289266192
Energy: 1.4108185628110814
Energy: 1.3686071766977899
Energy: 1.2795505052334823
Energy: 1.2604343469594252
Energy: 1.2651195459916769
Energy: 1.250796882248292
Energy: 1.3697092758546596
Energy: 1.275665664530497
Energy: 1.266169781518454
Energy: 1.5102115250115709
Energy: 1.5286182089629452
Energy: 1.4366090364157273
Energy: 1.3363112925303753
Energy: 1.3814739283322754
Energy: 1.334302745333449
Energy: 1.2279720877483424
Energy: 1.3580604796421036
Energy: 1.2336121162119171
Energy: 1.3883480730289968
Energy: 1.4916953720561321
Energy: 1.4796218643435353
Energy: 1.3603732086510447
Energy: 1.4694746231929066
Energy: 1.3434165573483174
Energy: 1.344662351847792
Energy: 1.3808641566697197
Energy: 1.3305826615634935
Energy: 1.382899412780243
Energy: 1.522731856125102
Energy: 1.4960564457367285
Energy: 1.5076456591018237
Energy: 1.4369909841724093
Energy: 1.162479590513569
Energy: 1.19602645711554
Energy: 1.3852334612475312
Energy: 1.5242271152224383
Energy: 1.4512300086113443
Energy: 1.3588404847448914
Energy: 1.2475588515118712
Energy: 1.3811258256812433
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Energy: 1.3914921063722103
Energy: 1.3502434039026172
Energy: 1.3500811321456834
Energy: 1.5282099556452629
Energy: 1.4355492949060655
Energy: 1.412061882108053
Energy: 1.452703253818021
Energy: 1.3295608567112107
Energy: 1.3896896536166132
Energy: 1.1844233790059353
Energy: 1.199984020949448
Energy: 1.2507039057828597
Energy: 1.3411084127173503
Energy: 1.31500885102888
Energy: 1.3697100711847028
Energy: 1.2453015284097624
Energy: 1.4337010074276757
Energy: 1.5020523920839324
Energy: 1.47361539616953
Energy: 1.3692030960812647
Energy: 1.2555919102651043
Energy: 1.2535649433609357
Energy: 1.2531008303592026
Energy: 1.2088430618136696
Energy: 1.2569761192381819
Energy: 1.3641164568213129
Energy: 1.445563761552598
Energy: 1.4136898929256563
Energy: 1.459695911148375
Energy: 1.4792605274223014
Energy: 1.308841615169197
Energy: 1.313384721336308
Energy: 1.3491574675275475
Energy: 1.3454859715126841
Energy: 1.2223716345821676
Energy: 1.4380778081482566
Energy: 1.4615018949582996
Energy: 1.429122320325451
Energy: 1.3934644528879754
Energy: 1.1778065091742627
Energy: 1.4268211923890208
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Energy: 1.4870971863542468
Energy: 1.3176288918710655
Energy: 1.36030995578134
Energy: 1.4564921684674905
Energy: 1.366282619985743
Energy: 1.4760753843580516
Energy: 1.5002835228621967
Energy: 1.311581532274337
Energy: 1.3808764697928548
Energy: 1.199591195643136
Energy: 1.4055498785165896
Energy: 1.2538661657845491
Energy: 1.436259126730401
Energy: 1.3657984123883808
Energy: 1.189110703482515
Energy: 1.3954994100997624
Energy: 1.3286464124649149
Energy: 1.3713685202187589
Energy: 1.3078882660332019
Energy: 1.3436847317297418
Energy: 1.5236750380228248
Energy: 1.4523609392882
Energy: 1.4318405700577646
Energy: 1.443135738755154
Energy: 1.449329800983262
Energy: 1.3632812838773083
Energy: 1.2373597959896379
Energy: 1.242955694733978
Energy: 1.3815309796559097
Energy: 1.2112024515226758
Energy: 1.313508631848954
Energy: 1.313727528261262
Energy: 1.3892161907523766
Energy: 1.472826792540696
Energy: 1.5477863978526238
Energy: 1.4811600654080221
Energy: 1.3819906103605437
Energy: 1.348420613585103
Energy: 1.341741196258113
Energy: 1.217466636662074
Energy: 1.2465534785086403
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Energy: 1.5170889366035407
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Energy: 1.2660558106724182
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Energy: 1.3767596708293242
Energy: 1.4305258156275271
Energy: 1.2490556736601113
Energy: 1.4209450831507355
Energy: 1.4811034377046455
Energy: 1.48258259756748
Energy: 1.3677252097045782
Energy: 1.3883789612277666
Energy: 1.1904452293161236
Energy: 1.3344107054127767
Energy: 1.5067884646136007
Energy: 1.433300527364413
Energy: 1.5143716222793333
Energy: 1.4595606076187173
Energy: 1.4760425412486649
Energy: 1.3647839798762695
Energy: 1.3399775708150596
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Energy: 1.3505402196879412
Energy: 1.5122713704615438
Energy: 1.4583178364372986
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Energy: 1.3813197928996916
Energy: 1.216550834505865
Energy: 1.4137442156840103
Energy: 1.184142729918797
Energy: 1.1788434623667454
Energy: 1.26824945832524
Energy: 1.3570973577974357
Energy: 1.3682610085517093
Energy: 1.4555272976524223
Energy: 1.3800675308540507
Energy: 1.382669494842206
Energy: 1.3675904365606788
Energy: 1.456161640761716
Energy: 1.3737737889212227
Energy: 1.3638202459141553
Energy: 1.3482650073428826
Energy: 1.2703349685361829
Energy: 1.3575262761808937
Energy: 1.3052355691777966
Energy: 1.307066768555464
Energy: 1.4991157786151004
Energy: 1.469966517259278
Energy: 1.2338834156922895
Energy: 1.4577099986891495
Energy: 1.4567039952506327
Energy: 1.3706420588478303
Energy: 1.3695191340051944
Energy: 1.2272670852651484
Energy: 1.1970244979051343
Energy: 1.3873132899265415
Energy: 1.454950031153277
Energy: 1.4270889189488623
Energy: 1.2489608321469423
Energy: 1.1841871437170168
Energy: 1.2020368347471733
Energy: 1.235780747044053
Energy: 1.4733209171273665
Energy: 1.3865071664133006
Energy: 1.329687987492376
Energy: 1.494645628134201
Energy: 1.4857547658056216
Energy: 1.4166823339326908
Energy: 1.3889466353098099
Energy: 1.3639137824073484
Energy: 1.36384268733753
Energy: 1.5927982737149549
Energy: 1.4202424966893072
Energy: 1.3303530048295773
Energy: 1.4170677466378194
Energy: 1.3907120490800404
Energy: 1.4462711961307726
Energy: 1.436643543897939
Energy: 1.1964814314465828
Energy: 1.2578537032612112
Energy: 1.363822277836429
Energy: 1.4675388601578985
Energy: 1.3426855854286373
Energy: 1.3006585284505867
Energy: 1.3999937215543738
Energy: 1.2007420921216283
Energy: 1.5283019372314681
Energy: 1.219168674616152
Energy: 1.2007101436225902
Energy: 1.2587637215253462
Energy: 1.2548334532639425
Energy: 1.2668027918478615
Energy: 1.2687714220335222
Energy: 1.335343654197528
Energy: 1.5220573415473797
Energy: 1.4460944969743634
Energy: 1.4757504562959445
Energy: 1.3392877656126674
Energy: 1.3399588861546925
Energy: 1.3449094958707168
Energy: 1.3983915734459287
Energy: 1.2794421937386402
Energy: 1.2984238928774015
Energy: 1.2672862614119058
Energy: 1.5277582113837715
Energy: 1.4827143591530618
Energy: 1.4559602053085028
Energy: 1.3790020182533989
Energy: 1.3561076331137152
Energy: 1.4876392899209678
Energy: 1.4919416229200466
Energy: 1.316429669273025
Energy: 1.2886724133092784
Energy: 1.3035285854542265
Energy: 1.4745766438920134
Energy: 1.340783269415246
Energy: 1.2733866654658905
Energy: 1.190511486452897

minimum gb energy = 1.162479590513569 eV
minimum distance =  2.24131218944902 Angstroms
sigma value = 33


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

Energy: 2.517972038516658
Energy: 1.3639694258202768
Energy: 1.360583731685428
Energy: 1.2419490388864698
Energy: 1.3338255482317305
Energy: 1.4220151433871329
Energy: 1.400507433614193
Energy: 1.4421048015919178
Energy: 1.348881299116713
Energy: 1.2985389762552257
Energy: 1.2288480218008
Energy: 1.4248166996159817
Energy: 1.3555454154664763
Energy: 1.2533585497719306
Energy: 1.260851550047083
Energy: 1.3578785428024427
Energy: 1.4784214033139296
Energy: 1.3110160403075126
Energy: 1.1910939911269263
Energy: 1.2300140978757583
Energy: 1.2539367250861555
Energy: 1.5398376381554026
Energy: 1.3274021805659588
Energy: 1.3447693967294463
Energy: 1.4994022195726397
Energy: 1.3303437377576102
Energy: 1.2708758968845542
Energy: 1.2074554628936798
Energy: 1.2461071593636583
Energy: 1.260213542970837
Energy: 1.210074910110391
Energy: 1.245421392663544
Energy: 1.4315294565637389
Energy: 1.2290447592298344
Energy: 1.2223118354935594
Energy: 1.334995284828875
Energy: 1.3371795778733804
Energy: 1.5015739777337949
Energy: 1.241570644533023
Energy: 1.2794085923085234
Energy: 1.203850723608018
Energy: 1.4655941788622306
Energy: 1.2654092294044905
Energy: 1.2691506205199727
Energy: 1.2928614212178284
Energy: 1.407191005382116
Energy: 1.4494755610854193
Energy: 1.5097953393318342
Energy: 1.2306129327554205
Energy: 1.2092675324919666
Energy: 1.3349282986895943
Energy: 1.328734157921265
Energy: 1.434837828282112
Energy: 1.4489079837380914
Energy: 1.4603277263911563
Energy: 1.1861904169762383
Energy: 1.494595021658589
Energy: 1.2752157462479101
Energy: 1.3394090487344439
Energy: 1.472254351785382
Energy: 1.3282524139692327
Energy: 1.374840100333028
Energy: 1.5434404888012891
Energy: 1.24195716571739
Energy: 1.2403327178965264
Energy: 1.3302883443144968
Energy: 1.3276766812048815
Energy: 1.3598016159840873
Energy: 1.3325363526964709
Energy: 1.280475835476445
Energy: 1.513619059708499
Energy: 1.5306952424199023
Energy: 1.3731541672645153
Energy: 1.424596948097357
Energy: 1.2425995338351286
Energy: 1.3376753223696876
Energy: 1.3394431372275353
Energy: 1.2087428372553362
Energy: 1.299917423001729
Energy: 1.5215878453634109
Energy: 1.4100013983942465
Energy: 1.4245599749888174
Energy: 1.321640073426316
Energy: 1.226044547009719
Energy: 1.3631408842282693
Energy: 1.3401029421665076
Energy: 1.2430884919772514
Energy: 1.2510098143369934
Energy: 1.2355595552385736
Energy: 1.2438225672365077
Energy: 1.376903374012719
Energy: 1.247056670334261
Energy: 1.3608753622781145
Energy: 1.1615856625255674
Energy: 1.1969543300060008
Energy: 1.4452188007512135
Energy: 1.2088150231189998
Energy: 1.3474809196835469
Energy: 1.2461083572646348
Energy: 1.226282949301848
Energy: 1.4770653915040641
Energy: 1.4855396297928698
Energy: 1.3395184555833486
Energy: 1.2833492237238842
Energy: 1.280677805344537
Energy: 1.4034330921317535
Energy: 1.3604314616710784
Energy: 1.3077255925071456
Energy: 1.4306451052158748
Energy: 1.4037632042449213
Energy: 1.4747162694019276
Energy: 1.3669688485728608
Energy: 1.2176902640780958
Energy: 1.2194319027812093
Energy: 1.4919393177946005
Energy: 1.377572555825748
Energy: 1.2472686465287686
Energy: 1.2636102239312867
Energy: 1.3258318793746449
Energy: 1.3337101895411945
Energy: 1.4805157436291791
Energy: 1.243816387926596
Energy: 1.209524408425246
Energy: 1.2987587444054174
Energy: 1.2709400186654347
Energy: 1.3207078578575902
Energy: 1.306094830759199
Energy: 1.3495262059729738
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Energy: 1.480183278763116
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Energy: 1.213148000834766
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Energy: 1.2470862070749915
Energy: 1.2207683466090982
Energy: 1.5753658320940598
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Energy: 1.4241093578904944
Energy: 1.2799132249883332
Energy: 1.22497357138668
Energy: 1.210881333990848
Energy: 1.399192393722094
Energy: 1.238883105704417
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Energy: 1.249626137807841
Energy: 1.1994689126021074
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Energy: 1.2982167597654901
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Energy: 1.3154035139721465
Energy: 1.3976458843277042
Energy: 1.3267331049400772
Energy: 1.4202902312499979
Energy: 1.2653866886536729

minimum gb energy = 1.1615856625255674 eV
minimum distance =  2.25845827869092 Angstroms
sigma value = 219


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

Energy: 2.2776247249373927
Energy: 1.1434754670042644
Energy: 1.1990566229522395
Energy: 1.1781094185323047
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Energy: 1.1684233811666993
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Energy: 1.176979927128213
Energy: 1.22467179896664
Energy: 1.1718579468196664
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Energy: 1.1554232992058548
Energy: 1.1223540917227133
Energy: 1.122428735544269
Energy: 1.1726231085521743
Energy: 1.2008445161642252

minimum gb energy = 1.1223540917227133 eV
minimum distance =  2.26723531406785 Angstroms
sigma value = 15


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

Energy: 2.182453375733383
Energy: 1.5369679406350358
Energy: 1.4875222326529691
Energy: 1.3509566502302905
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Energy: 1.483698084732662
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Energy: 1.444515770912375
Energy: 1.4118491453061899
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minimum gb energy = 1.33403636216675 eV
minimum distance =  2.26740103621533 Angstroms
sigma value = 293


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

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Energy: 1.4561337285840397
Energy: 1.3604819210551633
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Energy: 1.426502080793537
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Energy: 1.459458627881487
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Energy: 1.48161479821929
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Energy: 1.3816224607924141
Energy: 1.5041120228979115
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Energy: 1.4195738816191927
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Energy: 1.4929282799259473
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Energy: 1.4064241733469591
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Energy: 1.4493806272187806
Energy: 1.478163008453603
Energy: 1.4647585616729073
Energy: 1.3985627892405845
Energy: 1.5048047978362105
Energy: 1.5573687726190208
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Energy: 1.4353355136717012
Energy: 1.5056547161071567
Energy: 1.4965632024538216
Energy: 1.5196277278695185
Energy: 1.4550000990373761
Energy: 1.4890843541753471
Energy: 1.4067983804400974
Energy: 1.4546025288040203
Energy: 1.4722929054734213
Energy: 1.6837525684101287
Energy: 1.4830207261249237
Energy: 1.4632756069662936
Energy: 1.4948295386143176
Energy: 1.3912176785186134
Energy: 1.4543468484288102
Energy: 1.374780373164432
Energy: 1.4665472439301073
Energy: 1.5926415433124326
Energy: 1.3810322297380169
Energy: 1.5317003184902092
Energy: 1.4636022385788896
Energy: 1.453710077057058
Energy: 1.47304946315831
Energy: 1.4894936822167137
Energy: 1.5269112110598035
Energy: 1.5695536302189415
Energy: 1.382344813907778
Energy: 1.3803752367647242
Energy: 1.40885393350591
Energy: 1.3672005876608533
Energy: 1.4949725046778275
Energy: 1.4506360426864233
Energy: 1.517950613977338
Energy: 1.6173750622176524
Energy: 1.5855925959435657
Energy: 1.4637716417038285
Energy: 1.3712762469820923
Energy: 1.3469788440104673
Energy: 1.4234317686489661
Energy: 1.3662509987135472
Energy: 1.4350188572371507
Energy: 1.4587126404332544
Energy: 1.509192155744274
Energy: 1.4683495789587782
Energy: 1.5902580634896102
Energy: 1.5093632311771596
Energy: 1.5569518236996616
Energy: 1.446249240647657
Energy: 1.340261687997622
Energy: 1.3391531633857938
Energy: 1.498955945517881
Energy: 1.4600356479620322
Energy: 1.40620236351442
Energy: 1.4477326919154883

minimum gb energy = 1.3254620663677539 eV
minimum distance =  2.26189710718597 Angstroms
sigma value = 293


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

Energy: 1.7896304314349494
Energy: 1.4360331001333897
Energy: 1.2748417621745205
Energy: 1.5020329010986297
Energy: 1.2886247590862046
Energy: 1.4558397171762436
Energy: 1.261567164367116
Energy: 1.2583401122041509
Energy: 1.2408407904057843
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Energy: 1.247201747059617
Energy: 1.3937815944530871
Energy: 1.2527574435868307
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Energy: 1.4491506472089855
Energy: 1.253540835243869
Energy: 1.3768575298886552
Energy: 1.497612961538483
Energy: 1.256110348733215
Energy: 1.2686679306365882
Energy: 1.476404798077586
Energy: 1.4219752390950753
Energy: 1.3747088140588013
Energy: 1.2418409647458093
Energy: 1.2579653020109498
Energy: 1.3027796868027401
Energy: 1.2438340142129682
Energy: 1.233249262536421
Energy: 1.2170952497287606
Energy: 1.5676352087334917
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Energy: 1.4620444752840773
Energy: 1.3406791621196017
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Energy: 1.257704356870474
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Energy: 1.2669090435306516
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Energy: 1.2389508009461971
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Energy: 1.2456283498962437
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Energy: 1.2615689147996028
Energy: 1.244839838776525
Energy: 1.2559645476486487
Energy: 1.2462555921011904
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Energy: 1.250940568476474
Energy: 1.247155475769624
Energy: 1.4381635630022855
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Energy: 1.2310347509629802
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Energy: 1.4781964444926325
Energy: 1.2579608780354066
Energy: 1.241913849578548
Energy: 1.2438592349418556
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Energy: 1.3590688558577833
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Energy: 1.4762492797933626
Energy: 1.2444131092654265
Energy: 1.4241100368594952
Energy: 1.1613245825513914
Energy: 1.2468194066628626
Energy: 1.2369770390778014
Energy: 1.2576485754370217
Energy: 1.2163777033354546
Energy: 1.5568700681402914
Energy: 1.4901373618655165
Energy: 1.2382324639244562
Energy: 1.3784454823203534
Energy: 1.3935918695778318
Energy: 1.2523411909907056
Energy: 1.2556888922459977
Energy: 1.3716777445882098
Energy: 1.5554393820352808
Energy: 1.1569391724998812
Energy: 1.2674894809473287
Energy: 1.2754304819685593
Energy: 1.4754789786328992
Energy: 1.4778763466914588
Energy: 1.2563939430240167
Energy: 1.2459621234467153
Energy: 1.3748968224086235
Energy: 1.3807162615253417
Energy: 1.2573347083745392
Energy: 1.4813070725071822
Energy: 1.4820418820947956
Energy: 1.3288763368426202
Energy: 1.4410899413127114
Energy: 1.4430732909137889
Energy: 1.3700924343823624
Energy: 1.2501984920219364
Energy: 1.2604205512681335
Energy: 1.2414756433286707
Energy: 1.3822475165373593
Energy: 1.3747076284588153
Energy: 1.2480318589210233
Energy: 1.273203740335365
Energy: 1.2852284628118495
Energy: 1.4805390576915765
Energy: 1.2674445487075343
Energy: 1.4043201682697921
Energy: 1.389375373322433
Energy: 1.2430433505964902
Energy: 1.256500974991674
Energy: 1.2670874592424872
Energy: 1.2280999866579592
Energy: 1.5516437893058086
Energy: 1.2458476035687303
Energy: 1.2576382652647966
Energy: 1.3690350612340674
Energy: 1.245411484433346
Energy: 1.2573592836127052
Energy: 1.2391704849601686
Energy: 1.4273291750046584
Energy: 1.3915796687628785
Energy: 1.218959061949297
Energy: 1.2724163574382974
Energy: 1.472239839707151
Energy: 1.2530063149869064
Energy: 1.4848874866850512
Energy: 1.4733376568091707
Energy: 1.3690352187563448
Energy: 1.2437543331700927
Energy: 1.2678736329725044
Energy: 1.2731859654336366
Energy: 1.3810865327583068
Energy: 1.4859121109712408
Energy: 1.2625393964451466
Energy: 1.3686525100055271
Energy: 1.4766402328786845
Energy: 1.48562838596468
Energy: 1.2704376965805186
Energy: 1.2563878732293334
Energy: 1.2451058495067882
Energy: 1.5134988754631233
Energy: 1.2680522282445803
Energy: 1.4145138553228225

minimum gb energy = 1.1518658718065389 eV
minimum distance =  2.297694449907 Angstroms
sigma value = 15


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

Energy: 2.671878390266188
Energy: 1.339599286742239
Energy: 1.3785133960368883
Energy: 1.3450295513466415
Energy: 1.3363247627945207
Energy: 1.5069553180570203
Energy: 1.3185535178545127
Energy: 1.3244095702369925
Energy: 1.3742392518067923
Energy: 1.3674823413221004
Energy: 1.3625359712643936
Energy: 1.6347279786035966
Energy: 1.5850884404594467
Energy: 1.3469886150936863
Energy: 1.383428688708214
Energy: 1.340693649297548
Energy: 1.301419405299138
Energy: 1.310218510216071
Energy: 1.3448004496537433
Energy: 1.4409322068132535
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Energy: 1.4867786483689531
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Energy: 1.3308181613063692
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Energy: 1.3774903562897194
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Energy: 1.5768531687327578
Energy: 1.5216084700855639
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Energy: 1.3240475929522557
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Energy: 1.3796445501192598
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Energy: 1.3486206552172495
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Energy: 1.34024232371743
Energy: 1.3352903852285245
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Energy: 1.3383227867175331
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Energy: 1.359453014759181
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Energy: 1.442510934509225
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Energy: 1.401121621882356
Energy: 1.5000758390322282
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Energy: 1.3548632657295538
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Energy: 1.39157799377408
Energy: 1.4141357402641441
Energy: 1.397326413865267
Energy: 1.3326338152579227
Energy: 1.4110919790445977
Energy: 1.4508203535769115
Energy: 1.4851352749615299
Energy: 1.4251314143020002
Energy: 1.475651536577479
Energy: 1.352081884087278
Energy: 1.4613614547964253
Energy: 1.343473360330306
Energy: 1.3804517184785996
Energy: 1.3392233703755743
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Energy: 1.3562780660279237
Energy: 1.3725993837972097
Energy: 1.3358290403590118
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Energy: 1.4366555557231069
Energy: 1.429893086321154
Energy: 1.342210548918382
Energy: 1.503772596821084
Energy: 1.562459134088011
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Energy: 1.3663810889372492
Energy: 1.349855406210192
Energy: 1.387176776228308
Energy: 1.3373187551825807
Energy: 1.3707290634030935
Energy: 1.4360103659766659
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Energy: 1.382516299952068
Energy: 1.359362349162905
Energy: 1.3729421344782007
Energy: 1.3270528234632633
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Energy: 1.3368022369584287
Energy: 1.325757818384103
Energy: 1.5514510672985669
Energy: 1.5495614565260145
Energy: 1.6199935911485959
Energy: 1.428556015214038
Energy: 1.415522595663735
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Energy: 1.3300427736949523
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Energy: 1.377333332912071
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Energy: 1.389743156881483
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Energy: 1.4084109168279026
Energy: 1.3642052513374974
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Energy: 1.4014682892170918
Energy: 1.4398909355612828
Energy: 1.4448266518418709
Energy: 1.4962310143776292
Energy: 1.5279156014041686
Energy: 1.3495128901145987
Energy: 1.4114490938268802
Energy: 1.4572225707698745
Energy: 1.382969865967058
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Energy: 1.3577475790654012
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Energy: 1.422228970595483
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Energy: 1.3980435221061314
Energy: 1.459065816360934
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Energy: 1.3363785601801472
Energy: 1.4988269849753533
Energy: 1.4441755380234809
Energy: 1.3980982435484999
Energy: 1.4531630584650768
Energy: 1.4404912534966339
Energy: 1.4077746896159258
Energy: 1.466002507439854
Energy: 1.5014990879851828
Energy: 1.6188932989296627
Energy: 1.5223763679430393
Energy: 1.416053891854191
Energy: 1.3223435679498703
Energy: 1.4440449249446163
Energy: 1.4062811528814696
Energy: 1.322229756071751
Energy: 1.3404544471663677
Energy: 1.3659765821851413
Energy: 1.4978035343861438
Energy: 1.4506511853372814
Energy: 1.3283370171850806
Energy: 1.3653290867440087
Energy: 1.3542412449253252
Energy: 1.4176440204501357
Energy: 1.463877059316377
Energy: 1.322464363516198
Energy: 1.369948520285945
Energy: 1.4558947785325596
Energy: 1.3310424028035759
Energy: 1.3201194087677783
Energy: 1.359686895963063
Energy: 1.3790719456885443
Energy: 1.3608996274903897
Energy: 1.4490195757462287
Energy: 1.3992933364968472
Energy: 1.4409247544750983
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Energy: 1.3373542969696282
Energy: 1.3320443052387267
Energy: 1.301522030766483
Energy: 1.3451019030433806
Energy: 1.3681974452561056
Energy: 1.3248400393704056
Energy: 1.4534486044775736
Energy: 1.661964354554483
Energy: 1.4007150915740691
Energy: 1.432032741956275
Energy: 1.3450849173203696
Energy: 1.336654309198304
Energy: 1.3206936636915805
Energy: 1.563160923943978
Energy: 1.3440373477400365
Energy: 1.3477891337408496
Energy: 1.3926550701724396
Energy: 1.3382179680812754
Energy: 1.3605033095282655
Energy: 1.3315675451670332
Energy: 1.4964439207812876
Energy: 1.5729134736076902
Energy: 1.3194118769434555
Energy: 1.355581342996383
Energy: 1.3390633510944583
Energy: 1.316490673736172
Energy: 1.358937310889581
Energy: 1.4341582599643845
Energy: 1.4336673625075373
Energy: 1.691926139716287
Energy: 1.3482316239179988
Energy: 1.3629768943810767
Energy: 1.3274121209655385
Energy: 1.3574601698375903
Energy: 1.4581849112574474
Energy: 1.3404774412037546
Energy: 1.4160778288479856
Energy: 1.4327548638261345
Energy: 1.46326417322931
Energy: 1.4855769884652756
Energy: 1.4935038630993882
Energy: 1.346055945276015
Energy: 1.4362935485521857
Energy: 1.3493379970236068
Energy: 1.4063617901694714
Energy: 1.3242206078144183
Energy: 1.5174832036404298
Energy: 1.5385509106724642
Energy: 1.4379413129089178
Energy: 1.4494446491744444
Energy: 1.4410618882693018
Energy: 1.33595759556606
Energy: 1.3427920280661552
Energy: 1.3499146144058172
Energy: 1.4949092279383693
Energy: 1.440603323784361
Energy: 1.466051965003065
Energy: 1.3812619577399419
Energy: 1.3500541295572843
Energy: 1.4030396425352671
Energy: 1.3864142933306636
Energy: 1.4713782190360998
Energy: 1.486215555934123
Energy: 1.3435201200510645
Energy: 1.398928543384675
Energy: 1.3471015692529034
Energy: 1.4577687096795937
Energy: 1.4524599544526406
Energy: 1.4639814053902118
Energy: 1.431093426990122
Energy: 1.3351797213187895
Energy: 1.478955007695393
Energy: 1.4264468841886155
Energy: 1.3842854038282963
Energy: 1.492670901243351
Energy: 1.502636955580477
Energy: 1.3530426538872333
Energy: 1.5038130612599556
Energy: 1.3626208096928414
Energy: 1.3670763024104924
Energy: 1.3398553375607591
Energy: 1.3379663816505138
Energy: 1.4801128069476612
Energy: 1.4640166717329666
Energy: 1.3755609738017116
Energy: 1.3469932269274623
Energy: 1.3839721271363543
Energy: 1.338150554146625
Energy: 1.481160672650422
Energy: 1.3460800911275599
Energy: 1.4926655169232563
Energy: 1.504397605490097
Energy: 1.3555661199388014
Energy: 1.339066397903735
Energy: 1.4534690170811653
Energy: 1.4497920075974948
Energy: 1.4191205118632284
Energy: 1.3977594180878705
Energy: 1.371733164772518
Energy: 1.4796424287131071
Energy: 1.3781032159327504
Energy: 1.4303291615784715
Energy: 1.40104281819563
Energy: 1.3156827520495977
Energy: 1.3510806420459225
Energy: 1.346855533471559
Energy: 1.3428241498714772
Energy: 1.3218662480015158
Energy: 1.4998360122113308
Energy: 1.4228221544234374
Energy: 1.3757418303140434
Energy: 1.3313759666053275
Energy: 1.3476465557710613
Energy: 1.3390871772139954
Energy: 1.341706777729978
Energy: 1.4050684941999692
Energy: 1.3144013813392155
Energy: 1.3208063318067724
Energy: 1.3628537825001226
Energy: 1.3233272711312223

minimum gb energy = 1.300735721330125 eV
minimum distance =  2.26098657850431 Angstroms
sigma value = 437


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

Energy: 1.8823898499641558
Energy: 1.215779873917389
Energy: 1.2568542362716344
Energy: 1.3038918276151605
Energy: 1.3624302458894042
Energy: 1.3382383525281443
Energy: 1.4072961924087661
Energy: 1.2762234645897974
Energy: 1.2158330382118345
Energy: 1.15864331709807
Energy: 1.494962267710427
Energy: 1.2979940418291087
Energy: 1.3682879837696797
Energy: 1.4338686563928726
Energy: 1.3161135053170585
Energy: 1.211392302059594
Energy: 1.3207611305811575
Energy: 1.3366976040477674
Energy: 1.2471818996117119
Energy: 1.596222488080837
Energy: 1.4870563034819058
Energy: 1.2836199398314252
Energy: 1.5859897920798103
Energy: 1.4472490369515778
Energy: 1.2997019846453266
Energy: 1.2747200901991353
Energy: 1.3261844552389508
Energy: 1.2821446065802895
Energy: 1.3053327563112695
Energy: 1.475319011206853
Energy: 1.3675798085509119
Energy: 1.3150863089003297
Energy: 1.4268015842959778
Energy: 1.2787838410271442
Energy: 1.335113753750946
Energy: 1.2699228251790877
Energy: 1.2340354094696302
Energy: 1.2478157745879226
Energy: 1.5088282462663805
Energy: 1.5350452559645598
Energy: 1.3226228920792007
Energy: 1.5228918631561146
Energy: 1.294586645807292
Energy: 1.2274132115326988
Energy: 1.1861930713773894
Energy: 1.273428570882704
Energy: 1.3526358925919542
Energy: 1.3379779524045916
Energy: 1.4551716155336205
Energy: 1.3013305605888337
Energy: 1.2846326806984554
Energy: 1.4292106054888316
Energy: 1.2857015641907337
Energy: 1.4549631882516854
Energy: 1.3766083336518142
Energy: 1.2684639889789833
Energy: 1.2726351007578116
Energy: 1.2669706530992584
Energy: 1.453870756873519
Energy: 1.2823632282479893
Energy: 1.7263303669171848
Energy: 1.330926941970297
Energy: 1.3018869504901756
Energy: 1.299199899258764
Energy: 1.4189966151881115
Energy: 1.2817418270710268
Energy: 1.4758864929598021
Energy: 1.481148486935911
Energy: 1.3717351674909182
Energy: 1.241075301656154
Energy: 1.6287041052719469
Energy: 1.2213049313271187
Energy: 1.2166646437892756
Energy: 1.2970123281544206
Energy: 1.3799729597531722
Energy: 1.253932678201666
Energy: 1.2794083917276695
Energy: 1.2798443073580632
Energy: 1.3598590328025526
Energy: 1.4178925822240311
Energy: 1.4459766793587892
Energy: 1.2881859613292068
Energy: 1.3709301019894267
Energy: 1.4368752029628589
Energy: 1.3297894086638622
Energy: 1.2502155887876234
Energy: 1.341006534514315
Energy: 1.3345789445575615
Energy: 1.305922865726747
Energy: 1.5917949767268011
Energy: 1.3828293247429588
Energy: 1.3012077806536908
Energy: 1.4647008658197989
Energy: 1.2860387866044107
Energy: 1.2374886699998595
Energy: 1.346452813605361
Energy: 1.2133781511890889
Energy: 1.2260356675031836
Energy: 1.2711591239492899
Energy: 1.5661114272431997
Energy: 1.245709728678209
Energy: 1.3301747693081145
Energy: 1.4207615456581375
Energy: 1.2199781964748482
Energy: 1.3710992937267676
Energy: 1.276682649561973
Energy: 1.4249174679495324
Energy: 1.3604114624364527
Energy: 1.2708972254496285
Energy: 1.2410451487451861
Energy: 1.3017201569431207
Energy: 1.3387578790782961
Energy: 1.298300188831317
Energy: 1.4385386862311835
Energy: 1.3698194964037531
Energy: 1.2757024355452284
Energy: 1.2754540690121332
Energy: 1.3025734904457942
Energy: 1.447234088441663
Energy: 1.2910102710963414
Energy: 1.2992944266070192
Energy: 1.5756416746242803
Energy: 1.2868997953660741
Energy: 1.4448306229080985
Energy: 1.3785560040741336
Energy: 1.272470608538848
Energy: 1.2789941225239587
Energy: 1.2851120341773041
Energy: 1.4771959052534784
Energy: 1.312720178528388
Energy: 1.640803645395017
Energy: 1.2611091437639808
Energy: 1.333059093537026
Energy: 1.3037797683796244
Energy: 1.4287651189962078
Energy: 1.2556715926906785
Energy: 1.4200185483330034
Energy: 1.2731517894836402
Energy: 1.2224434532415627
Energy: 1.1589479518331418

minimum gb energy = 1.15864331709807 eV
minimum distance =  2.29409399311919 Angstroms
sigma value = 33