Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520024351775646
cohesive_energy=4.422204084913661
mass=58.6934
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=[2.0873157187751997e-19, 2.93528372408604e-19, 3.573654982137e-19, 4.08976414124742e-19, 4.52147063527872e-19, 4.88990717403336e-19, 5.2083397800408595e-19, 5.48580472951698e-19, 5.72879083782942e-19, 5.942184743711879e-19, 6.1297675840206e-19, 6.294487363762139e-19, 6.43881143495286e-19, 6.5647104748525795e-19, 6.67388279069334e-19, 6.76772227614672e-19, 6.8474626072209e-19, 6.914145198727981e-19, 6.96868329134934e-19, 7.011893995168319e-19, 7.044498289670219e-19, 7.067105001975959e-19, 7.08030693744012e-19, 7.084600770819239e-19, 7.07998650211332e-19, 7.065086259417119e-19, 7.038105604900559e-19, 6.99689762187408e-19, 6.93888280595694e-19, 6.860984978011859e-19, 6.759551175313319e-19, 6.63006325975344e-19, 6.4671058743093e-19, 6.26396589888444e-19, 6.012456210879119e-19, 5.702290836303059e-19, 5.320652362084259e-19, 4.85126267362128e-19, 4.2733575617374794e-19, 3.56006852428068e-19, 2.6330651456146195e-19, 1.2595239238163218e-19, -6.84135831424536e-20, -3.2061797493627596e-19, -6.4372252800852e-19, -1.0628935920554038e-18, -1.61353606633506e-18, -2.34193362945048e-18, -3.34521663766128e-18, -4.81707222425172e-18, -7.10291364974586e-18, -1.0838949233738758e-17, -1.7359583829389998e-17, -2.9875787694198e-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: -0.0272614018 eV

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

Energy: 0.020352398098473484
Energy: 0.02721261468536116
Energy: 0.1682730152145921
Energy: 0.16686287301952557
Energy: 0.025996372820974084
Energy: 0.02225100836125717
Energy: 0.16633950664954603
Energy: 0.1687043062683063
Energy: 0.16644146723991243
Energy: 0.024724878603932778
Energy: 0.02098751839053275
Energy: 0.16462826488450397
Energy: 0.16640774923642895
Energy: 0.16797647873770993
Energy: 0.16827200208963414
Energy: 0.16522496191315658
Energy: 0.16465937827436636
Energy: 0.16622940439758926
Energy: 0.1671435474298287
Energy: 0.1676220070885501
Energy: 0.16895274893303075
Energy: 0.026075090837428486
Energy: 0.020944838579839826
Energy: 0.16603043001947504
Energy: 0.16636209057670087
Energy: 0.16818090593841842
Energy: 0.024621892328669143
Energy: 0.020860606574876716
Energy: 0.1652875475417046
Energy: 0.1681649911940223
Energy: 0.16858515536414284
Energy: 0.022063264361705852
Energy: 0.02210482285728959
Energy: 0.16456187312646567
Energy: 0.1649327061860309
Energy: 0.16778118603755426
Energy: 0.021970487725180315
Energy: 0.02108901791566425
Energy: 0.1645349397815564
Energy: 0.1647953512427102
Energy: 0.16672537615781027
Energy: 0.16617716392583282
Energy: 0.16917519333787542
Energy: 0.022863360405498342
Energy: 0.022687870034257474
Energy: 0.1667170474721872
Energy: 0.16684749427156176
Energy: 0.1684751703100349
Energy: 0.024540099243168
Energy: 0.1643350725636856
Energy: 0.168287880350582
Energy: 0.16529478348208868
Energy: 0.16738817018602425
Energy: 0.022120796236437413
Energy: 0.02108436032306803
Energy: 0.16877825048181946
Energy: 0.16488486222941015
Energy: 0.16780024182019926
Energy: 0.021581877756142863
Energy: 0.021071275965765995
Energy: 0.02109782949773595
Energy: 0.16934657670420417
Energy: 0.16726162684402693
Energy: 0.16823051770998537
Energy: 0.1701077156155527
Energy: 0.02107448565371802
Energy: 0.17028792712106514
Energy: 0.1674185265437473
Energy: 0.16910293947992824
Energy: 0.1690752835107682

minimum gb energy = 0.020352398098473484 eV
minimum distance =  2.45419762919334 Angstroms
sigma value = 3


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

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Energy: 1.3111492932956959
Energy: 1.3315677249850666
Energy: 1.390707174392462
Energy: 1.3322165097956409
Energy: 1.4569964508129198
Energy: 1.3061417842946659
Energy: 1.3326085361351085
Energy: 1.3329696992075792
Energy: 1.3766573388616348
Energy: 1.3154616259755065
Energy: 1.5220694001119073
Energy: 1.3355156629794416
Energy: 1.382618511561291
Energy: 1.148266473386782
Energy: 1.2420092537364993
Energy: 1.5429674769803754
Energy: 1.3487375305191835
Energy: 1.3880233541582703
Energy: 1.3215207463963135
Energy: 1.3633788868587862
Energy: 1.467768168099325
Energy: 1.1650341379109315
Energy: 1.3164054904851121
Energy: 1.3221185618310174
Energy: 1.1428581535243105
Energy: 1.4994590623549895
Energy: 1.3496639874783245
Energy: 1.3189818386527423
Energy: 1.3322253169856304
Energy: 1.3169704847898673
Energy: 1.3469717140625297
Energy: 1.503396781551378
Energy: 1.1747429414884039
Energy: 1.1756904774925678
Energy: 1.2411656207784996
Energy: 1.3573394198058466
Energy: 1.5016074516834093
Energy: 1.3507967043962659
Energy: 1.3298827053694309
Energy: 1.59806208901228
Energy: 1.38217824458873
Energy: 1.4849303800602014
Energy: 1.5061919349990647
Energy: 1.474639942335664
Energy: 1.570682395848409
Energy: 1.313261328778566
Energy: 1.4199010421595997
Energy: 1.3118435466432568
Energy: 1.3794212033997038
Energy: 1.4225415943448985
Energy: 1.5331131501968978
Energy: 1.5163711694598296
Energy: 1.271501862088781
Energy: 1.5106538352007741
Energy: 1.4227527735478014
Energy: 1.530328338994562
Energy: 1.4164093018357333
Energy: 1.1832084060701946
Energy: 1.4857175272182541
Energy: 1.4231859602590653
Energy: 1.4596604043054793
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Energy: 1.2675566926405806
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Energy: 1.4151867474977264
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Energy: 1.507059490522961
Energy: 1.1720925736451242
Energy: 1.444951845467102
Energy: 1.421470993976536
Energy: 1.3614090964032852
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Energy: 1.4131523604604734
Energy: 1.3641430069385825
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Energy: 1.3925293292986114
Energy: 1.5119009321815529
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Energy: 1.362579782055374
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Energy: 1.3673824598876294
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Energy: 1.221338860206756
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Energy: 1.3113725520007347
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Energy: 1.4430468550268614
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Energy: 1.4364749476469685
Energy: 1.39005627549946
Energy: 1.6270398127078813
Energy: 1.2191406086074086
Energy: 1.4818124846158873
Energy: 1.4409068326783456
Energy: 1.382410349464907
Energy: 1.5832663681514922
Energy: 1.6486551180330737
Energy: 1.4437719151238806
Energy: 1.3863751248739744
Energy: 1.3862237445140553
Energy: 1.3760328908865282
Energy: 1.7247226775425555
Energy: 1.3735447015209308
Energy: 1.3834636341343975
Energy: 1.4044701322862227
Energy: 1.3801403070769833
Energy: 1.252051117190814
Energy: 1.4615689252205373
Energy: 1.387455896396562
Energy: 1.4510990833337754
Energy: 1.213292619163311
Energy: 1.1966102759272923
Energy: 1.5222547676992884
Energy: 1.3912564774692404
Energy: 1.4391723455230465
Energy: 1.2130165787679459
Energy: 1.192297747811725
Energy: 1.496031665598872
Energy: 1.1337234780799224
Energy: 1.2508617925253012
Energy: 1.2574931218604082
Energy: 1.1912794026211428
Energy: 1.497713071341448
Energy: 1.1350295101114913
Energy: 1.2768641831588887
Energy: 1.1912129515145382
Energy: 1.2625549023293516
Energy: 1.1679948455769198
Energy: 1.5026103111303941
Energy: 1.1946716152611774
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Energy: 1.2957142708730185
Energy: 1.1465039594043043
Energy: 1.4993201949958073
Energy: 1.1847015937005245
Energy: 1.2373446676372322
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Energy: 1.4420430634524966
Energy: 1.410550134977611
Energy: 1.4758392943425247
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Energy: 1.5493401572157735
Energy: 1.4712761455639836
Energy: 1.4802295342863867
Energy: 1.2629787994434525
Energy: 1.2030396143860655
Energy: 1.4207441007988115
Energy: 1.527709256842923
Energy: 1.3977990148339494
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Energy: 1.4602773522311392
Energy: 1.4207650204351705
Energy: 1.472953082139198
Energy: 1.4531071043402508
Energy: 1.4844099307471386
Energy: 1.4545040192890824
Energy: 1.4168238213838487
Energy: 1.424172723384834
Energy: 1.4312595271171786
Energy: 1.1705433630465059
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Energy: 1.4143400644245385
Energy: 1.561686768030458
Energy: 1.4351462667397654
Energy: 1.2658996979358272
Energy: 1.4144036300266538
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Energy: 1.3915189331790077
Energy: 1.4620029988182084
Energy: 1.4289184790097067
Energy: 1.3763158611915618
Energy: 1.425578167967233
Energy: 1.3991624175782023
Energy: 1.4713555636820308
Energy: 1.4125202407047168
Energy: 1.3627073304209685
Energy: 1.42229075308472
Energy: 1.4336964131523104
Energy: 1.1749317282446259
Energy: 1.5044856257004027
Energy: 1.3944484385543132
Energy: 1.4106317188324025
Energy: 1.2335421446264914
Energy: 1.2155278028559369
Energy: 1.501818024065105
Energy: 1.3843394132322353
Energy: 1.3732425426291195
Energy: 1.321905783688103
Energy: 1.1684928865305657
Energy: 1.2948731479119766
Energy: 1.245076688813011
Energy: 1.271630674413372
Energy: 1.3107052689277352
Energy: 1.2613236678494395
Energy: 1.2674059031270055
Energy: 1.2444310661936373
Energy: 1.4319463851804137
Energy: 1.1734439526966673
Energy: 1.3576132526132543
Energy: 1.2638286119791167
Energy: 1.2453448890218461
Energy: 1.2680331653456725
Energy: 1.3359737398003289
Energy: 1.304967685778306
Energy: 1.3938987124743287
Energy: 1.244729578722463
Energy: 1.5193800447339822
Energy: 1.3545183840494086
Energy: 1.268751295964993
Energy: 1.4101047303295662
Energy: 1.324709279850368
Energy: 1.5312851929723261
Energy: 1.146270095716657
Energy: 1.2732499445493946
Energy: 1.5537566323382535
Energy: 1.3344388789077046
Energy: 1.5406946904285914
Energy: 1.4810249202503
Energy: 1.4815096041044022
Energy: 1.4759829429850955
Energy: 1.4209125031395289
Energy: 1.3457047508202957
Energy: 1.5316551806256704
Energy: 1.3544311835161813
Energy: 1.5471684816728994
Energy: 1.4207436319798723
Energy: 1.365741060613345
Energy: 1.3249176822203685
Energy: 1.3908998393902605
Energy: 1.341613452798927
Energy: 1.426540248732509
Energy: 1.1457366595683998
Energy: 1.3611712124600168
Energy: 1.39671066988989
Energy: 1.4448501585754325
Energy: 1.596150359067399
Energy: 1.5484177056364619
Energy: 1.3775643504789965
Energy: 1.3347165918566894
Energy: 1.3360263039393048
Energy: 1.305686060295659
Energy: 1.5518563172620758
Energy: 1.3059795622333423
Energy: 1.3299646604055393
Energy: 1.3315759975551023
Energy: 1.3155713581945876

minimum gb energy = 1.1337234780799224 eV
minimum distance =  2.1732476495056 Angstroms
sigma value = 75


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

Energy: 2.348158859017475
Energy: 1.3858774593239227
Energy: 1.3086546031693693
Energy: 1.43175913225802
Energy: 1.4015655570815135
Energy: 1.4025774140526093
Energy: 1.3992469118228066
Energy: 1.3183628253648152
Energy: 1.4333941898569729
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Energy: 1.3378070167759086
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Energy: 1.3145182500448551
Energy: 1.4219741023953538
Energy: 1.3462564822881853
Energy: 1.356891030545521
Energy: 1.4353649504886679
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Energy: 1.439993219019426
Energy: 1.4564196888412344
Energy: 1.4925883006062417
Energy: 1.5563706143610843
Energy: 1.3684520388813333
Energy: 1.3536985223408025
Energy: 1.3553646660796457
Energy: 1.4932977810618728
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Energy: 1.3539504673451073
Energy: 1.3607997729931303
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Energy: 1.4951744633346349
Energy: 1.3841723495892575
Energy: 1.42360760105521
Energy: 1.352201668331235
Energy: 1.3454855799295702
Energy: 1.4199792047679825
Energy: 1.4018585487219322
Energy: 1.4223121024672887
Energy: 1.4999703650709217
Energy: 1.3336336649870701
Energy: 1.4399228441579777
Energy: 1.4740652301046298
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Energy: 1.4846292546540871
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Energy: 1.4293534278461109
Energy: 1.4882384127646815
Energy: 1.4653056557966806
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Energy: 1.39574930257365
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Energy: 1.344491890337069
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Energy: 1.3462257744758745
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Energy: 1.4854354506008294
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Energy: 1.3730121381134854
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Energy: 1.4609231108886658
Energy: 1.4007315045474873
Energy: 1.3639378851260717
Energy: 1.4956943683711008
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Energy: 1.3295662541702662
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Energy: 1.362929189527048
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Energy: 1.660420469519041
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Energy: 1.4462002680250536
Energy: 1.3423890060909234
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Energy: 1.4499844914586066
Energy: 1.3114567385463414
Energy: 1.449625841647813
Energy: 1.5032547880791214
Energy: 1.4376081697162184
Energy: 1.3537165535784497
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Energy: 1.3162401239823789
Energy: 1.4943348433439434
Energy: 1.4065561992759195
Energy: 1.3567041948267209
Energy: 1.4497888068941964
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Energy: 1.3707810064820198
Energy: 1.4236855666553627
Energy: 1.353172713014977
Energy: 1.490976428217366
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Energy: 1.3733408874700201
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Energy: 1.3349254226238112
Energy: 1.4561348928519355
Energy: 1.477543831896906
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Energy: 1.3707907989629635
Energy: 1.4213076604831596
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Energy: 1.3711709915185746
Energy: 1.422496107945889
Energy: 1.465299465005491
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Energy: 1.3373286859151676
Energy: 1.4619131577374678
Energy: 1.337105643188368
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minimum gb energy = 1.2942858734148395 eV
minimum distance =  2.13120991560753 Angstroms
sigma value = 105


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

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Energy: 1.371321478355126
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Energy: 1.3846014047175097
Energy: 1.3945742052039918
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Energy: 1.397478573457632
Energy: 1.3517866156056253
Energy: 1.3861496776687192
Energy: 1.3951696841231813
Energy: 1.3685699093957016
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Energy: 1.442596470741497
Energy: 1.3982848616181776
Energy: 1.4157330810676845
Energy: 1.6109557374964116
Energy: 1.4464830751721547
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Energy: 1.3484027515233385
Energy: 1.356576001098577
Energy: 1.605685813139193
Energy: 1.4043434044199303
Energy: 1.3722019903311764
Energy: 1.3462841246611732
Energy: 1.3547932613139675
Energy: 1.4520905310808963
Energy: 1.4509954014320179
Energy: 1.3229184750959868
Energy: 1.3807723225781015
Energy: 1.386868121459523
Energy: 1.297590688292675
Energy: 1.4472849507642374
Energy: 1.3233501089403328
Energy: 1.3991260029842951
Energy: 1.4101717616946394
Energy: 1.382559319886672
Energy: 1.3900086301036712
Energy: 1.4382463106284307
Energy: 1.3775420929874134
Energy: 1.3791024928743114
Energy: 1.428622926765031
Energy: 1.4029654921295902
Energy: 1.4384622870370063
Energy: 1.4296127397204277
Energy: 1.379313937188607
Energy: 1.426169031819406
Energy: 1.347352559893622
Energy: 1.4319174937060422
Energy: 1.2953418417034
Energy: 1.3619008624604159
Energy: 1.381562223409092
Energy: 1.3316720531136943
Energy: 1.428054762407724
Energy: 1.310103754328981
Energy: 1.3739525288030394
Energy: 1.4043028261756454
Energy: 1.455813830774655
Energy: 1.3056222152895638
Energy: 1.382625704435167
Energy: 1.3274446347699025
Energy: 1.3024915725633914
Energy: 1.4424564659319328
Energy: 1.2936497973543741
Energy: 1.3528461970172292
Energy: 1.3168636528923818
Energy: 1.465419520116681

minimum gb energy = 1.2730442450856445 eV
minimum distance =  2.22017551642428 Angstroms
sigma value = 165


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

Energy: 1.6694918381048285
Energy: 1.2894768565167432
Energy: 1.2791158677240226
Energy: 1.2994827248049896
Energy: 1.2901628265882945
Energy: 1.5633228551065013
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Energy: 1.2877490796220232
Energy: 1.3190537857699838
Energy: 1.2892744736984016
Energy: 1.3743682366299708
Energy: 1.3902474763226824
Energy: 1.300075627061614
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Energy: 1.3506769522546787
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Energy: 1.2955706728488952
Energy: 1.3799573912058511
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Energy: 1.3140287495897973
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Energy: 1.35591659700363
Energy: 1.258824888954103
Energy: 1.3451919763720899
Energy: 1.3379902978425473
Energy: 1.3859890651444917
Energy: 1.2947800017373865
Energy: 1.3665992505901796
Energy: 1.3526363922631566
Energy: 1.3319616351021677
Energy: 1.3393163553483995
Energy: 1.3121074344619938
Energy: 1.2575802611472588
Energy: 1.3281691550945967
Energy: 1.280561164342011
Energy: 1.3962218806316236
Energy: 1.331593429503125
Energy: 1.336284472827974
Energy: 1.3344757090419859
Energy: 1.3366814184913536
Energy: 1.3491670344097835
Energy: 1.3400378499443022
Energy: 1.2995811841610296
Energy: 1.2743263120167132
Energy: 1.3329956848743045
Energy: 1.303366382204138
Energy: 1.344089473117156
Energy: 1.286740939689447
Energy: 1.2784568922389796
Energy: 1.3386986256274356
Energy: 1.366778000657734
Energy: 1.3190457745139115
Energy: 1.3553607640940295
Energy: 1.2833079246357162
Energy: 1.3596424024314357
Energy: 1.3823833475611131
Energy: 1.309318075808647
Energy: 1.3140565919099145
Energy: 1.288176592646988
Energy: 1.3863911468961356

minimum gb energy = 1.254594820140748 eV
minimum distance =  2.19173068639648 Angstroms
sigma value = 41


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

Energy: 1.2446792811969642
Energy: 1.1462729199370314
Energy: 1.1438699608805678
Energy: 1.1314231811101365
Energy: 1.1457299521787496
Energy: 1.1117205889532038
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Energy: 1.2230058576551832
Energy: 1.4023423169624754
Energy: 1.2619778928809846
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Energy: 1.2312406731554362
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Energy: 1.1778624925950423
Energy: 1.2350768089468787
Energy: 1.1977594362131008
Energy: 1.1785302750645292
Energy: 1.178704513837832
Energy: 1.193212139170226
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Energy: 1.1847048480878262
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Energy: 1.2972734700880162
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Energy: 1.1925978778194064
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Energy: 1.1590800607181104
Energy: 1.1583130165963444
Energy: 1.1592413816093838
Energy: 1.2585591440388848
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Energy: 1.1364970833390917
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Energy: 1.1581113924507325
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Energy: 1.2938279187802935
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Energy: 1.274587717392692
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Energy: 1.1726052615711464
Energy: 1.2720195486884098
Energy: 1.1660217586376393
Energy: 1.2169602025697808
Energy: 1.2592805253577184
Energy: 1.3983796072214312
Energy: 1.233462576482095
Energy: 1.4571586394056548
Energy: 1.213660257750311
Energy: 1.2074495246399468
Energy: 1.2232191180719667
Energy: 1.2135348899435894
Energy: 1.2238530523962876
Energy: 1.2110132793574926
Energy: 1.2044760544026865
Energy: 1.1975450464354036
Energy: 1.157203812136235
Energy: 1.168010819551475
Energy: 1.2036079316669224
Energy: 1.1878229049460174
Energy: 1.2662787692043245
Energy: 1.1679344672866416
Energy: 1.1683153670536222
Energy: 1.229112129016542
Energy: 1.235613697990298
Energy: 1.2633819777627735
Energy: 1.2127301054839161
Energy: 1.2310386625854743
Energy: 1.2246012837397557
Energy: 1.1842421110162455
Energy: 1.2605768578384704
Energy: 1.2112422153577844
Energy: 1.2125713243485008
Energy: 1.22431004512311
Energy: 1.2878866886604128
Energy: 1.2052978728622914
Energy: 1.2526276775271221
Energy: 1.177876127633747
Energy: 1.1801440062232336
Energy: 1.179763162304504
Energy: 1.1841644861352547
Energy: 1.155297603190291
Energy: 1.1960827779726944
Energy: 1.1923286242440707
Energy: 1.175734716364631
Energy: 1.1786349621853132
Energy: 1.1652516471133632
Energy: 1.1757794816161435
Energy: 1.196633878270083
Energy: 1.240803586384112
Energy: 1.1785312558230854
Energy: 1.164016040118233
Energy: 1.1818847528766248
Energy: 1.1968492612920965
Energy: 1.224463176757024
Energy: 1.2462394450519205
Energy: 1.2944564980783384
Energy: 1.1371969914261948
Energy: 1.2189249373405784
Energy: 1.1224565724459437
Energy: 1.140357761394305
Energy: 1.1872153091925188
Energy: 1.1861342946192495
Energy: 1.227797515721296
Energy: 1.175921905647102
Energy: 1.2203709794774749
Energy: 1.1827187043596983
Energy: 1.2818505096384962
Energy: 1.28126876076427
Energy: 1.147264581606164
Energy: 1.1119503039605152
Energy: 1.1175183841882734
Energy: 1.2323894758107408
Energy: 1.2298546215286499
Energy: 1.1782529651348264

minimum gb energy = 1.1099643831754293 eV
minimum distance =  2.2506127269868 Angstroms
sigma value = 185


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

Energy: 0.8044849045594926
Energy: 0.7665238160586993
Energy: 0.9405449308211851
Energy: 0.8331536763253378
Energy: 0.4962796303123922
Energy: 0.494437292595236
Energy: 0.8477583246858237
Energy: 0.8465548690346337
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Energy: 1.0023314047713494
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Energy: 0.6025451996991321
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Energy: 1.0532699986975065
Energy: 0.9310055153480488
Energy: 0.5744777473534779
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Energy: 0.9441080178767531
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Energy: 0.5701944395049987
Energy: 0.9905632798739741
Energy: 1.0705134193950758
Energy: 0.9822102707818208
Energy: 0.5518997925004794
Energy: 0.547786628946961
Energy: 0.9848389026624036
Energy: 1.040142935630685
Energy: 0.9659437245997445
Energy: 0.5511912415840294
Energy: 0.5477996374521519
Energy: 1.0164565120261764
Energy: 1.0366866761498232
Energy: 1.0655728130907407
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Energy: 0.9890691014035189
Energy: 1.0248288067168232
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Energy: 1.0605958250405465
Energy: 1.0303131728247303
Energy: 1.023800173994389
Energy: 0.4967462447092352
Energy: 0.49603327871116676
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Energy: 1.07282992184677
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Energy: 1.0397011957444535
Energy: 1.0545668496041058
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Energy: 1.0602014867701375
Energy: 1.0471112410575807
Energy: 1.0493768441954459
Energy: 1.1104649034090959
Energy: 1.1107454090921283
Energy: 1.0242714521532597
Energy: 1.0360505418197805
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Energy: 1.0635585718937404
Energy: 1.0571865960163316
Energy: 1.024213047942755
Energy: 1.0417807679069215
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Energy: 1.00267408745052
Energy: 0.5481379328168255
Energy: 0.5504780739977088
Energy: 1.051709005424063
Energy: 1.0346089536397627
Energy: 0.5119021784705101
Energy: 0.49340092282855047
Energy: 1.0004655663993693
Energy: 1.059163663232082
Energy: 1.0665510384065446
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Energy: 1.0482753437704784
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Energy: 1.0234170954132038
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Energy: 0.907270259949911
Energy: 0.8986557022177093
Energy: 0.5531678152212905
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Energy: 0.9183278300005824
Energy: 0.8881067322111709
Energy: 0.9386006496497673
Energy: 0.9172315912748108
Energy: 0.9025240574826541
Energy: 0.9957217090987635
Energy: 0.8748772531355236
Energy: 0.863629124835367
Energy: 0.9144816853507216
Energy: 0.9105892865311905
Energy: 0.9726748359533371
Energy: 0.8395954500874385
Energy: 0.6509473354709367
Energy: 0.6506216777729444
Energy: 0.8978188873887012
Energy: 1.0223126431064773
Energy: 0.8436222225531166
Energy: 0.5478697741046594
Energy: 0.5488071347836819
Energy: 0.8130775331511321
Energy: 0.9686989110857424
Energy: 0.853832216836595
Energy: 0.9324675937938475
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Energy: 0.7907973041716212
Energy: 0.8534446163004936
Energy: 0.8452017623715105
Energy: 0.8226563105576263
Energy: 0.9317299625400219
Energy: 0.9777779515571577
Energy: 0.9321571635993852
Energy: 0.8528592161979468
Energy: 0.6475648903347979
Energy: 0.9385790750930553
Energy: 0.9585592782557599
Energy: 0.8543153636855887
Energy: 0.9220984238914615
Energy: 0.5486975191354382
Energy: 0.8188959241685926
Energy: 0.9417691488980696
Energy: 0.8569216280420222
Energy: 0.611481043707573
Energy: 0.6454286112734402
Energy: 0.9099649433854085
Energy: 0.9772990187720623
Energy: 0.9356139213426641
Energy: 0.5573245577482976
Energy: 0.5480225588755994
Energy: 0.8679287401002711
Energy: 0.9392906607413558
Energy: 0.9168894899921147
Energy: 0.8408112341950473
Energy: 0.8507773220435643
Energy: 0.849614373650031
Energy: 0.9107797812641297
Energy: 0.8433432300155871
Energy: 0.8090424843751378
Energy: 0.8504119294375491
Energy: 0.9236747863551641
Energy: 0.8381156374505061
Energy: 0.8464050548870141
Energy: 0.7734610718787465
Energy: 0.9034686721602331
Energy: 0.9435369987975617
Energy: 0.8276727349240678
Energy: 0.8443545160051644
Energy: 0.4955076002664337
Energy: 0.8367798849350843
Energy: 0.820826901343264
Energy: 0.8734405221447109
Energy: 0.7656453950757497

minimum gb energy = 0.49340092282855047 eV
minimum distance =  2.32571788674094 Angstroms
sigma value = 33


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

Energy: 1.0683329540251383
Energy: 1.0396834862019968
Energy: 1.0232558097456677
Energy: 1.0298189150166432
Energy: 1.0106647684246304
Energy: 1.0127549005187229
Energy: 1.023498462031386
Energy: 1.0287652688817952
Energy: 1.0666981402701852
Energy: 1.0334214189588051
Energy: 1.0430400503162567
Energy: 1.0268867073896324
Energy: 1.0308612549868592
Energy: 1.0283789682827886
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Energy: 1.0372837060970805
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Energy: 1.0483372898812842
Energy: 1.0257368578594785
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Energy: 1.0857790704048902
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Energy: 1.0178810606125765
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Energy: 1.042018546656061
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Energy: 1.039736068472284
Energy: 1.1134839431551158
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Energy: 1.0583519154747585
Energy: 1.0233641305440775
Energy: 1.0377869955062538
Energy: 1.0387911115982649
Energy: 1.0755661242176378
Energy: 1.0268082949231392
Energy: 1.0781926400252662
Energy: 1.0412194635316336
Energy: 1.0685473693292535
Energy: 1.0693964747981441
Energy: 1.0270801008043118
Energy: 1.0888089084846104
Energy: 1.0382249638902887
Energy: 1.0377568686814531
Energy: 1.1264716997630555
Energy: 1.076731389779279
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Energy: 1.0419018746443822
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Energy: 1.0274185629690176
Energy: 1.044677879874133
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Energy: 1.0290465987061097
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Energy: 1.0277865675831939
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Energy: 1.027307807707735
Energy: 1.027860712077701
Energy: 1.0448211099702824
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Energy: 1.027523466301235
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Energy: 1.026972976117491
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Energy: 1.039264804003226
Energy: 1.0295343742814815
Energy: 1.1132164026386389
Energy: 1.0293348651803573
Energy: 1.0495950724339809
Energy: 1.0282600048672281
Energy: 1.0631174752117927
Energy: 1.1487356767269576
Energy: 1.0488032972025072
Energy: 1.15605213430994
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Energy: 1.0499073827252952
Energy: 1.0274070492600123
Energy: 1.0560520688590074
Energy: 1.0558907893684935
Energy: 1.026414552156289
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Energy: 1.0275940725963815
Energy: 1.0373074395875073
Energy: 1.058010064542515
Energy: 1.026536839201314
Energy: 1.0266639977528365
Energy: 1.065343608923419
Energy: 1.0420412172347855
Energy: 1.1443783416319013
Energy: 1.057686822500806
Energy: 1.0206823174401196
Energy: 1.0654518707754905
Energy: 1.0413013820034445
Energy: 1.096890685454575
Energy: 1.0260653058429932
Energy: 1.019356020758681
Energy: 1.154505711548344
Energy: 1.1391634240624364
Energy: 1.026926907551578
Energy: 1.0650986014041113
Energy: 1.039088920386435
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Energy: 1.1359624320329358
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Energy: 1.0384583866505077
Energy: 1.0477603698944509
Energy: 1.0692385681727887
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Energy: 1.0197475719513651
Energy: 1.0346614302430832
Energy: 1.0516634674477938
Energy: 1.0697479746988234
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Energy: 1.0348987370124278
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Energy: 1.0819581291247589
Energy: 1.031789508013495
Energy: 1.0321375704674391
Energy: 1.034625583025746
Energy: 1.0806540970477028
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Energy: 1.0331782120693696
Energy: 1.0365108610089717
Energy: 1.0778582495853826
Energy: 1.0257419521403448
Energy: 1.0933138164353973
Energy: 1.0704706107196615
Energy: 1.0243352615469739
Energy: 1.0338301160170544
Energy: 1.0279435125260619
Energy: 1.1032580486394845
Energy: 1.0336583858340933
Energy: 1.0333696799092118
Energy: 1.0480202727083385
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Energy: 1.011719547772283
Energy: 1.0116439234662877
Energy: 1.024328347960522
Energy: 1.0283072392729418
Energy: 1.0233259318741028
Energy: 1.035986942524417

minimum gb energy = 1.0106647684246304 eV
minimum distance =  2.23128868916705 Angstroms
sigma value = 219


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

Energy: 1.8762132691612488
Energy: 1.3405916710288224
Energy: 1.27601995928567
Energy: 1.3216040479917206
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Energy: 1.2959898786121082
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Energy: 1.2969793326963546
Energy: 1.3094017004076806
Energy: 1.265595289449081
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Energy: 1.2964507353998354
Energy: 1.29578728651194
Energy: 1.313085880157091
Energy: 1.2759827173202674
Energy: 1.29792851792387
Energy: 1.2971728099016493
Energy: 1.2973920310376683
Energy: 1.3131588982136373
Energy: 1.276345800323665
Energy: 1.3000695058073874
Energy: 1.2975810794987386
Energy: 1.2657014570323126
Energy: 1.2968432781848063
Energy: 1.2746242555079133
Energy: 1.320352269627062
Energy: 1.2967170948672526
Energy: 1.266825338588921
Energy: 1.2970933865783005
Energy: 1.273748162050532
Energy: 1.2986616131773
Energy: 1.2963294480136827

minimum gb energy = 1.2344432520157833 eV
minimum distance =  2.25341274220741 Angstroms
sigma value = 15


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

Energy: 2.162843263564099
Energy: 1.487277541852321
Energy: 1.4901031757102698
Energy: 1.4618665993615378
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Energy: 1.6559615607903018
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Energy: 1.574587537678602
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Energy: 1.506307487556328
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Energy: 1.5076967714929157
Energy: 1.6610040314809158
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Energy: 1.530333620742509
Energy: 1.4724989471284113
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Energy: 1.4682968632551014
Energy: 1.5268629506466609
Energy: 1.4366333944191712
Energy: 1.4703470867485557
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Energy: 1.4713016110849553
Energy: 1.4299410747044823
Energy: 1.4336386947718025
Energy: 1.471230388677249
Energy: 1.5215554918015561
Energy: 1.5094974955488674
Energy: 1.496441241872769
Energy: 1.4455489655726923
Energy: 1.4278423260137767
Energy: 1.5192903098149513
Energy: 1.5786197379614246
Energy: 1.4962954769311907
Energy: 1.428626875645532
Energy: 1.42783814538385
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minimum gb energy = 1.4037942751626589 eV
minimum distance =  2.25385513634273 Angstroms
sigma value = 293


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

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Energy: 1.5082782041263685
Energy: 1.4596952415751272
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Energy: 1.546023417320105
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Energy: 1.4929416285126045
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Energy: 1.5200376923027774
Energy: 1.59521040271809
Energy: 1.4948144134243748
Energy: 1.4575912491619403
Energy: 1.4689877103344595
Energy: 1.4562046610541273
Energy: 1.5134898134878965
Energy: 1.458324848121034
Energy: 1.4322621329953908
Energy: 1.4571615107579006
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Energy: 1.4608761293921035
Energy: 1.430585519168607
Energy: 1.4581863277228795
Energy: 1.5442990835201942
Energy: 1.5011574894220967
Energy: 1.4874543347710678
Energy: 1.4361836029977222
Energy: 1.5122890276988485
Energy: 1.5440088868250592
Energy: 1.5011877681825292
Energy: 1.4904499625435337
Energy: 1.4351775451550062
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Energy: 1.5565629746211345
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Energy: 1.4947604159916916
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Energy: 1.5579361343044855
Energy: 1.5072299494028945
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Energy: 1.5729739697946497
Energy: 1.5782656820452259
Energy: 1.5910223636243928
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Energy: 1.431811511558901
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Energy: 1.499180095674253
Energy: 1.5378592534665831
Energy: 1.5843180288308274
Energy: 1.4327721638136597
Energy: 1.4866505744381497
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Energy: 1.432396495145802
Energy: 1.4566503039622036
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Energy: 1.5100978530530693
Energy: 1.563308371753996
Energy: 1.6420572472911936
Energy: 1.5199218395613994
Energy: 1.4691209181467586
Energy: 1.5109707768000478
Energy: 1.5634060123922238
Energy: 1.641988137543444
Energy: 1.520317726047734
Energy: 1.463852230137537
Energy: 1.5924717988816126
Energy: 1.5225808513655466
Energy: 1.457851317814544
Energy: 1.5493304564353414
Energy: 1.921095103052695
Energy: 1.5192024712942838
Energy: 1.459650641158168
Energy: 1.5505047846813755
Energy: 1.5436156982750482
Energy: 1.590166525784737
Energy: 1.4361448819506637
Energy: 1.4553807463062547
Energy: 1.4630439130907722
Energy: 1.5182742072111213
Energy: 1.5933667469905484
Energy: 1.4316894696504225
Energy: 1.4556616278342243
Energy: 1.4606945904354136
Energy: 1.5185498888050646
Energy: 1.4014374234874127
Energy: 1.4638526935669343
Energy: 1.4308335445283
Energy: 1.4599073904967947
Energy: 1.5579734456157484
Energy: 1.5433777223978074
Energy: 1.4346715395064367
Energy: 1.4325768964203893
Energy: 1.4578933968415828
Energy: 1.5818109105859188
Energy: 1.55434977632798
Energy: 1.457813540812916
Energy: 1.5255599978088248
Energy: 1.4899879379867416
Energy: 1.5014000755489356
Energy: 1.544136243529777
Energy: 1.4580909812431324
Energy: 1.527797781876955
Energy: 1.4871433855325604
Energy: 1.5009851942569539
Energy: 1.5441256384589004
Energy: 1.4574961451112343
Energy: 1.4543398746762985
Energy: 1.578188722940094
Energy: 1.510950192777148
Energy: 1.5529802398074695
Energy: 1.4959230622300477
Energy: 1.4552485608763848
Energy: 1.5790598528269635
Energy: 1.4821831393538543
Energy: 1.5526680027822264
Energy: 1.4583837360024399
Energy: 1.5080127825981644
Energy: 1.5666785828940355
Energy: 1.5779572291791357
Energy: 1.5526456597204255
Energy: 1.45819672573522
Energy: 1.5266786472752387
Energy: 1.5670574088450775
Energy: 1.5787647927428963
Energy: 1.5006689883470656
Energy: 1.6662277026296775
Energy: 1.487038645599185
Energy: 1.458015834835258
Energy: 1.5702326486146927
Energy: 1.5561144092307726
Energy: 1.7873251265085428
Energy: 1.4866081682032595
Energy: 1.5778514149805658
Energy: 1.5717597298543893
Energy: 1.592325237529169

minimum gb energy = 1.3999634236381098 eV
minimum distance =  2.22905890536878 Angstroms
sigma value = 293


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

Energy: 1.3744680482929117
Energy: 1.4899885341722534
Energy: 1.5767450319369833
Energy: 1.5068314065936006
Energy: 1.4903858430331298
Energy: 1.3749256993027381
Energy: 1.507569756883133
Energy: 1.5761468351766343
Energy: 1.507489079680541
Energy: 1.4478107497342465
Energy: 1.379105615054871
Energy: 1.449565802789426
Energy: 1.4498921215815606
Energy: 1.506449610523312
Energy: 1.50658269159286
Energy: 1.5711696550991017
Energy: 1.4478479374064777
Energy: 1.4910144585885075
Energy: 1.5075414816805892
Energy: 1.5067322008114623
Energy: 1.5074042043204217
Energy: 1.5084976693964238
Energy: 1.4460779981987641
Energy: 1.4467194057034738
Energy: 1.5715648328808896
Energy: 1.506991436533892
Energy: 1.4509413336328811
Energy: 1.4460530505485012
Energy: 1.5735273940135215
Energy: 1.613753627588593
Energy: 1.612605989631788
Energy: 1.3779490201374693
Energy: 1.3810595483020272
Energy: 1.5063786664231917
Energy: 1.5755108047375181
Energy: 1.6124098515711103
Energy: 1.3772812433726025
Energy: 1.4492936002705221
Energy: 1.5072084123958347
Energy: 1.4323661016049687
Energy: 1.507021557093838
Energy: 1.490809990205682
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Energy: 1.5062028794743798
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Energy: 1.5080877203532828
Energy: 1.5073449660656004
Energy: 1.5718213027027899
Energy: 1.5070922941726899
Energy: 1.4476700497948842
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Energy: 1.4467498374398382
Energy: 1.4901538533795067
Energy: 1.5774149109216289
Energy: 1.4334894844039734
Energy: 1.5062870810970113
Energy: 1.44756237101986
Energy: 1.414540325724113
Energy: 1.5748014358788895
Energy: 1.382810430258263
Energy: 1.5057185494986778
Energy: 1.4475955525585587
Energy: 1.4140451107524952
Energy: 1.5069960761812942
Energy: 1.570444522818918
Energy: 1.4464884332378545
Energy: 1.3767411850203513
Energy: 1.4911355290233375
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Energy: 1.3754809043339395
Energy: 1.4905630471377047
Energy: 1.4473145805081011
Energy: 1.4909425314572105
Energy: 1.5054587634832393
Energy: 1.3826198862348127
Energy: 1.5700762901929928
Energy: 1.4486417684751187
Energy: 1.5062442901856408
Energy: 1.5053170870996004
Energy: 1.3807967007594573
Energy: 1.5723121203187755
Energy: 1.4465964504049165
Energy: 1.4449564877804633
Energy: 1.5737150941628717
Energy: 1.5021711597744785
Energy: 1.5068545096233015
Energy: 1.4460856399135593
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Energy: 1.507021229855295
Energy: 1.5090308897557185
Energy: 1.3789662958517688
Energy: 1.5061421627800577
Energy: 1.506755218285748
Energy: 1.5089573320810337
Energy: 1.499263079989899
Energy: 1.3802408589363413
Energy: 1.5061340366528273
Energy: 1.4324649464832708
Energy: 1.5085117226330498
Energy: 1.49909557485411
Energy: 1.3747781102964234
Energy: 1.5075589078034408
Energy: 1.561244524654303
Energy: 1.5068764589533974
Energy: 1.4901967089334347
Energy: 1.3748803530646478
Energy: 1.5081667185048528
Energy: 1.5619106605299977
Energy: 1.5068789890942715
Energy: 1.4905831504006
Energy: 1.5707205458367706
Energy: 1.4485988374774297
Energy: 1.4500832516572941
Energy: 1.5064453092611978
Energy: 1.5064997854105366
Energy: 1.571114551604935
Energy: 1.4486420702497689
Energy: 1.4911136920628096
Energy: 1.5073539137057739
Energy: 1.5062726278742622
Energy: 1.5071120291404694
Energy: 1.5087369583509074
Energy: 1.4457263022998816
Energy: 1.5617944989762085
Energy: 1.5718415424681262
Energy: 1.5072673681258448
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Energy: 1.445867221804939
Energy: 1.5739853186075516
Energy: 1.6141336939315605
Energy: 1.6127361348792553
Energy: 1.3783081400279467
Energy: 1.3811402294354416
Energy: 1.5061457546949517
Energy: 1.6162058747692385
Energy: 1.613496133815775
Energy: 1.37728942315128
Energy: 1.448943028393662
Energy: 1.5071046429796908
Energy: 1.6141680353265466
Energy: 1.5072437923991253
Energy: 1.4926247779555477
Energy: 1.3770500215689487
Energy: 1.4168823674888062
Energy: 1.4471482845169903
Energy: 1.506302612298478
Energy: 1.4487041024373468
Energy: 1.3780260202148118
Energy: 1.4135958220848863
Energy: 1.5081865532820382
Energy: 1.507262378372961
Energy: 1.573883670223883
Energy: 1.506724345738933
Energy: 1.447929710506169
Energy: 1.490435016993455
Energy: 1.5080447122748044
Energy: 1.612608457687087
Energy: 1.5073817797050308
Energy: 1.4467017399672386
Energy: 1.490248589122992
Energy: 1.5073969617122487
Energy: 1.435498249459293
Energy: 1.5061640723609326
Energy: 1.447696294667511
Energy: 1.415366680140451
Energy: 1.5088732719644489
Energy: 1.4486840280470843
Energy: 1.5057723599302175
Energy: 1.4480251781717859
Energy: 1.4138549779961156
Energy: 1.5069091685544889
Energy: 1.569979723973585
Energy: 1.4467272659072365
Energy: 1.3770932179638606
Energy: 1.4917728786207132
Energy: 1.507260588372975
Energy: 1.5734699937753567
Energy: 1.4454532224920584
Energy: 1.3755446281430008
Energy: 1.491184214867392
Energy: 1.4470551002872816
Energy: 1.490690861312321
Energy: 1.5057450827352186
Energy: 1.38289034353956
Energy: 1.5705638081507778
Energy: 1.4486678203833727
Energy: 1.5060846364989704
Energy: 1.5055215920757081
Energy: 1.38099711401791
Energy: 1.4485757636858454
Energy: 1.4467139077715097
Energy: 1.4454480552827622
Energy: 1.5735564350709739
Energy: 1.5071523128583293
Energy: 1.506695380839905
Energy: 1.446414710884219
Energy: 1.4449610502719108
Energy: 1.5755011258546823
Energy: 1.5073743305194383
Energy: 1.5076960961525128
Energy: 1.3787183321897647
Energy: 1.5061699837157023
Energy: 1.5076184168084013
Energy: 1.5748664360755587
Energy: 1.5718738394333918
Energy: 1.3801672302479646
Energy: 1.5059806770122561
Energy: 1.4323241504256283
Energy: 1.5793421020653255
Energy: 1.571982722612195

minimum gb energy = 1.3744680482929117 eV
minimum distance =  2.23380813899837 Angstroms
sigma value = 15


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

Energy: 1.3933130393758892
Energy: 1.5924709202882048
Energy: 1.5662374821476692
Energy: 1.4872410305878092
Energy: 1.5932102856595698
Energy: 1.3924348071328803
Energy: 1.6043562550414565
Energy: 1.5661003059235359
Energy: 1.7191462618889561
Energy: 1.4293393147884186
Energy: 1.394299435695653
Energy: 1.5268503765575046
Energy: 1.3964735313140881
Energy: 1.4338199483106246
Energy: 1.6035000435241828
Energy: 1.4170457755226313
Energy: 1.5373556915628945
Energy: 1.3965767169960719
Energy: 1.5508439473377005
Energy: 1.639590470380775
Energy: 1.5512892521681259
Energy: 1.5863545571272941
Energy: 1.5504367858455157
Energy: 1.4838803641418712
Energy: 1.535388035217879
Energy: 1.5309965622367627
Energy: 1.5878502702627602
Energy: 1.6377004456125925
Energy: 1.4848270023341494
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Energy: 1.5531691815192668
Energy: 1.4110338769366546
Energy: 1.5257809294793037
Energy: 1.556279027327931
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Energy: 1.51211010605182
Energy: 1.527880438767728
Energy: 1.5512956981252148
Energy: 1.536300601757909
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Energy: 1.3868127507406416
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Energy: 1.5256969939856417
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Energy: 1.3883587820569692
Energy: 1.6632054176489484
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Energy: 1.4044959852422056
Energy: 1.605132233993237
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Energy: 1.5507805905211578
Energy: 1.3890876387173763
Energy: 1.404757375758807
Energy: 1.537947379327924
Energy: 1.7081162174552815
Energy: 1.4059984090700854
Energy: 1.395213491385096
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Energy: 1.663233021425706
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Energy: 1.3956210888107003
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Energy: 1.5498434413698412
Energy: 1.5269011555086491
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Energy: 1.528677335018512
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Energy: 1.6612258669240818
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Energy: 1.3984108584710415
Energy: 1.6602096170127243
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Energy: 1.5310380185581016
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Energy: 1.394145376245206
Energy: 1.4174845332241441
Energy: 1.3958102308080602
Energy: 1.4069632666339211
Energy: 1.4323600971503394
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Energy: 1.408579585756624
Energy: 1.6389311025609274
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Energy: 1.4042066995090157
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Energy: 1.404054116105639
Energy: 1.8848419784902777
Energy: 1.617169357592079
Energy: 1.4037830960998203
Energy: 1.404090812270582
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Energy: 1.5412202197266889
Energy: 1.5522939600681154
Energy: 1.405741645927568
Energy: 1.389534569791757
Energy: 1.5571440126215368
Energy: 1.5417218737801786
Energy: 1.6533364653620701
Energy: 1.4177027803320699
Energy: 1.5469026628688838
Energy: 1.555022483022444
Energy: 1.562287564881232
Energy: 1.6353076721604987
Energy: 1.430275935515056
Energy: 1.4325499774274828
Energy: 1.554280113810102
Energy: 1.5640178611973872
Energy: 1.6377820112979422
Energy: 1.3985976531462185
Energy: 1.4365167002681523
Energy: 1.5557800627433591
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Energy: 1.5397203450906471
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Energy: 1.5411775978027786
Energy: 1.5522585764871908
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Energy: 1.6656748066891236
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Energy: 1.6244566427599114
Energy: 1.4023384690090264
Energy: 1.549168483368481
Energy: 1.5412634631542117
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Energy: 1.463389138541736
Energy: 1.3999241838119032
Energy: 1.5496587477854558
Energy: 1.584899037497404
Energy: 1.5461141899294322
Energy: 1.6047171388714037
Energy: 1.5521925062451056
Energy: 1.5369343730051732
Energy: 1.5578479703832349
Energy: 1.4867238210428402
Energy: 1.60414261918656
Energy: 1.5499939254784667
Energy: 1.5374990535436934
Energy: 1.5583467306341738
Energy: 1.4838160168633114
Energy: 1.5117358645699999
Energy: 1.5243106744916857
Energy: 1.6237830861806761
Energy: 1.656553544931552
Energy: 1.5417246408003318
Energy: 1.5116082058699702
Energy: 1.5219766755663997
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Energy: 1.605291656247274
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Energy: 1.6359818977516605
Energy: 1.4193702819070986
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Energy: 1.6631110244813472
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Energy: 1.4208511585453965
Energy: 1.4145660874854253
Energy: 1.5550922355345163
Energy: 1.4190431372505528
Energy: 1.396199035519408
Energy: 1.4159142748870457
Energy: 1.41594891779144
Energy: 1.6487003025619127
Energy: 1.4180058988479118
Energy: 1.3950299417683065
Energy: 1.4186854131468627
Energy: 1.4611477257895031
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Energy: 1.5921675079341158
Energy: 1.4046790346007738
Energy: 1.3894875848201411
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Energy: 1.5918997124533891
Energy: 1.3977770334302155
Energy: 1.3906632703608146
Energy: 1.5294646491271502
Energy: 1.6196623023229857
Energy: 1.5520294992864008
Energy: 1.3941693477009438
Energy: 1.432060175823702
Energy: 1.5288686849427249
Energy: 1.5410079682317506
Energy: 1.4178176935838933
Energy: 1.6880507537987088
Energy: 1.5287378797825264
Energy: 1.3907019231799398
Energy: 1.4174390340180687
Energy: 1.5938831322908154
Energy: 1.6602814932026029
Energy: 1.3998806142340523
Energy: 1.389479866118663
Energy: 1.4040972555408213
Energy: 1.5941399120459032
Energy: 1.661289421188979
Energy: 1.41946922924844
Energy: 1.419958584554327
Energy: 1.3967937885624695
Energy: 1.41626235367752
Energy: 1.5549788742386508
Energy: 1.4063066787970213
Energy: 1.417924150826084
Energy: 1.3972368440645686
Energy: 1.4171397027777455
Energy: 1.544624823988653
Energy: 1.4094253960325285
Energy: 1.4218397209575915
Energy: 1.6113997213766893
Energy: 1.5320979985414775
Energy: 1.5486017249330097
Energy: 1.6044798730525598
Energy: 1.4200090215047214
Energy: 1.5757192622782308
Energy: 1.5313278427508075
Energy: 1.552569106200287
Energy: 1.6198243662423197
Energy: 1.3928724130985768
Energy: 1.605480746709623
Energy: 1.7436447815995089
Energy: 1.582406150633762
Energy: 1.5630700820601988
Energy: 1.393780773819963
Energy: 1.605396561103221
Energy: 1.757510749738974
Energy: 1.5849606289523657
Energy: 1.4329238134399904
Energy: 1.3916648917276984
Energy: 1.5361861072545984
Energy: 1.3965165809212179
Energy: 1.550201507994605
Energy: 1.6048723071969022
Energy: 1.3912411248488945
Energy: 1.5360101480477317
Energy: 1.3952044433011512
Energy: 1.5525066602403703
Energy: 1.6055235355527346
Energy: 1.5362673433030347
Energy: 1.5867312507310831
Energy: 1.5528203002198089
Energy: 1.510830218921629
Energy: 1.5358610112232105
Energy: 1.525120057571369
Energy: 1.593587608658686
Energy: 1.5498457674201036
Energy: 1.4774784013075979
Energy: 1.53561580502704
Energy: 1.5499231618269647
Energy: 1.5384287282472164
Energy: 1.4551604377183078
Energy: 1.5513120865695995
Energy: 1.53378166556824
Energy: 1.5505047787083228
Energy: 1.5398575497385594
Energy: 1.4896961502933255
Energy: 1.5510026557596972
Energy: 1.535459197077645
Energy: 1.5531303010084054
Energy: 1.5255744282685715
Energy: 1.5294422267060084
Energy: 1.5127631872166312
Energy: 1.5799017605454946
Energy: 1.5553230701739407
Energy: 1.5470100911129856
Energy: 1.607729984815146
Energy: 1.5124032888394083
Energy: 1.6466022813829295
Energy: 1.662961083306425
Energy: 1.3876076415650935
Energy: 1.4176999442333555
Energy: 1.604733742053869
Energy: 1.6945496244325589
Energy: 1.5534859472854743
Energy: 1.3890039992924592
Energy: 1.4135895663358677
Energy: 1.5534190174225737
Energy: 1.6905595397513515
Energy: 1.4054793694043959
Energy: 1.3984468982152949
Energy: 1.4042504268701852
Energy: 1.6040785730407123
Energy: 1.7038136902987506
Energy: 1.3901711350241397
Energy: 1.4030877530901866
Energy: 1.4028943859463134
Energy: 1.6039823935760018
Energy: 1.6395578907677533
Energy: 1.5277691143146197
Energy: 1.3966741050202756
Energy: 1.4069902465353914
Energy: 1.5420622810594138
Energy: 1.5282791244248544
Energy: 1.4181759365222544
Energy: 1.3971418059639678
Energy: 1.4174500223465896
Energy: 1.5404909621951683
Energy: 1.5299976364742853
Energy: 1.514438512675607
Energy: 1.5073667876783492
Energy: 1.5935200546934947
Energy: 1.5472842712975978
Energy: 1.5142174339251944
Energy: 1.401132633510323
Energy: 1.4315078262292782
Energy: 1.5935126116997151
Energy: 1.5469945096210573
Energy: 1.524481566952741
Energy: 1.43174888979361
Energy: 1.6872108498145535
Energy: 1.4998893771751436
Energy: 1.3955754303029702
Energy: 1.4076319636844337
Energy: 1.4315202251047203
Energy: 1.6878039274290257
Energy: 1.4074609092895094
Energy: 1.3959338429518042
Energy: 1.5272478055886733
Energy: 1.6424912531350364
Energy: 1.6194997379103209
Energy: 1.4028279156239118
Energy: 1.4060331298013533
Energy: 1.4042189657459445
Energy: 1.6404078442806136
Energy: 1.6197271106689235
Energy: 1.4042783574242022
Energy: 1.404756437985652
Energy: 1.4053665532196467
Energy: 1.5410784412275031
Energy: 1.5426023959058484
Energy: 1.404870477824129
Energy: 1.404962680040105
Energy: 1.5544918108248396
Energy: 1.5425700685896149
Energy: 1.6149611865925486
Energy: 1.4158238418619071
Energy: 1.387895551269663
Energy: 1.5529210367135036
Energy: 1.6379849720998634
Energy: 1.3887641251649803
Energy: 1.3929518372724685
Energy: 1.4349515165495081
Energy: 1.550780702582389
Energy: 1.612336625179118
Energy: 1.3879263019323844
Energy: 1.5068003841208746
Energy: 1.4389285957524274
Energy: 1.557995959775309
Energy: 1.3945967507014945
Energy: 1.5355310271149125
Energy: 1.5390671038401789
Energy: 1.4338448136761315
Energy: 1.550240257697523
Energy: 1.395045677719204
Energy: 1.5357653597611984
Energy: 1.4303234106528786
Energy: 1.434414491506529
Energy: 1.5371522420627592
Energy: 1.534988964728125
Energy: 1.4741523162438084
Energy: 1.549877233959485
Energy: 1.585758607919291
Energy: 1.5450165951107715
Energy: 1.6450441314905409
Energy: 1.487158914513763
Energy: 1.550025565540174
Energy: 1.5861888029193059
Energy: 1.541660176981545
Energy: 1.636001276487031
Energy: 1.5527650249427987
Energy: 1.5345138535789127
Energy: 1.5258107593313828
Energy: 1.4965654992819792
Energy: 1.6041444171179002
Energy: 1.5511874072405922
Energy: 1.5503793487571127
Energy: 1.524952226484786
Energy: 1.4960465219380734
Energy: 1.5254170810363346
Energy: 1.5864999494517906
Energy: 1.6236140138557296
Energy: 1.6368782275187785
Energy: 1.5396181131557751
Energy: 1.5262968912976975
Energy: 1.5824709368532082
Energy: 1.6250487641296787
Energy: 1.6574411189963043
Energy: 1.539138188886103
Energy: 1.6206907306620122
Energy: 1.6612842574855478
Energy: 1.666020013794399
Energy: 1.6359938655759445
Energy: 1.4203565440872183
Energy: 1.604486504876142
Energy: 1.6618367288466005
Energy: 1.6652810661208075
Energy: 1.6346077907288863
Energy: 1.417132862856716
Energy: 1.414772754872244
Energy: 1.5556211934905635
Energy: 1.4185551262577
Energy: 1.3961353276848
Energy: 1.4183280941804233
Energy: 1.4162840135377819
Energy: 1.553892238348296
Energy: 1.4166196661387012
Energy: 1.3957480760303755
Energy: 1.420881128722594
Energy: 1.4175136800616492
Energy: 1.5471299226637247
Energy: 1.592433175923038
Energy: 1.4049789738702936
Energy: 1.3898866455214525
Energy: 1.5151499068450467
Energy: 1.5474064072064064
Energy: 1.591759180218985
Energy: 1.3973440712567915
Energy: 1.3918299394438858
Energy: 1.5282567393800788
Energy: 1.5456844751582561
Energy: 1.4162332363996846
Energy: 1.3943925647757083
Energy: 1.5294074624638796
Energy: 1.526900747310965
Energy: 1.5662102942859553
Energy: 1.4166473626028084
Energy: 1.3941962344517993
Energy: 1.5292987463168237
Energy: 1.3906103925033244
Energy: 1.4164863521138353
Energy: 1.592290715117467
Energy: 1.6637354139881682
Energy: 1.4317158556468386
Energy: 1.389404930011298
Energy: 1.4045804498438612
Energy: 1.5924858679511469
Energy: 1.667083092376708
Energy: 1.4324452538249692
Energy: 1.4189061334434097
Energy: 1.3950408823255502
Energy: 1.4168158311275845
Energy: 1.6253117117902571
Energy: 1.4068930723035864
Energy: 1.4168728567765618
Energy: 1.396744930729208
Energy: 1.417591335267495
Energy: 1.6318058257314096
Energy: 1.4079012115176959
Energy: 1.4208937508750676
Energy: 1.5338164681893955
Energy: 1.531321704824425
Energy: 1.5477947934314091
Energy: 1.6205224014601305
Energy: 1.4191817366847645
Energy: 1.6364730200768929
Energy: 1.5309928883108281
Energy: 1.5532949068314705
Energy: 1.6634528352760012
Energy: 1.3919230634336295
Energy: 1.6058673130737582
Energy: 1.551956305730771
Energy: 1.519229475277197
Energy: 1.3853820320419878
Energy: 1.3967776278333042
Energy: 1.6051977926901095
Energy: 1.5505136609633816
Energy: 1.517443936546595
Energy: 1.3847274412034873

minimum gb energy = 1.3847274412034873 eV
minimum distance =  2.21002052447297 Angstroms
sigma value = 437


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

Energy: 1.807655504626492
Energy: 1.5225218407306007
Energy: 1.4697360010026563
Energy: 1.5768780946810146
Energy: 1.5192664307390544
Energy: 1.8077885562940175
Energy: 1.5954525972720974
Energy: 1.4693978132424794
Energy: 1.624023876764724
Energy: 1.5225489323279544
Energy: 1.4272164807341805
Energy: 1.5947299157132684
Energy: 1.54624402014277
Energy: 1.5318935950802062
Energy: 1.5986053773036681
Energy: 1.4338249104177232
Energy: 1.5957765143041214
Energy: 1.5426357918008664
Energy: 1.59955061102222
Energy: 1.4560346131972728
Energy: 1.4393427184845784
Energy: 1.4552396013040865
Energy: 1.4693208343130408
Energy: 1.3982805134271983
Energy: 1.4524615158271503
Energy: 1.438175912204938
Energy: 1.5973451808513541
Energy: 1.466331086113401
Energy: 1.3947009788323097
Energy: 1.4435240152265478
Energy: 1.392563276179073
Energy: 1.3978607081722612
Energy: 1.465994300285152
Energy: 1.524202043738607
Energy: 1.4815907137483397
Energy: 1.3962438265229558
Energy: 1.3961284641459666
Energy: 1.465330602537061
Energy: 1.509005628428803
Energy: 1.4785585065073128
Energy: 1.521505231497273
Energy: 1.5970359230421438
Energy: 1.7151345969203575
Energy: 1.394978324098783
Energy: 1.5804578011187491
Energy: 1.5235621720213208
Energy: 1.5965847760286453
Energy: 1.3827966467059236
Energy: 1.3842117483311138
Energy: 1.651485426301648
Energy: 1.5378136562533413
Energy: 1.3873135102086425
Energy: 1.5233741697499015
Energy: 1.5259321053492207
Energy: 1.8210262329516556
Energy: 1.4924565915659211
Energy: 1.38453696257433
Energy: 1.4382928380306896
Energy: 1.5293521085908417
Energy: 1.8160203023007455
Energy: 1.4332386512799757
Energy: 1.4337041539513724
Energy: 1.4305180162818707
Energy: 1.536094248378981
Energy: 1.5959660178013735
Energy: 1.4332223644776787
Energy: 1.4377093794787106
Energy: 1.43170991001525
Energy: 1.5100502870980326
Energy: 1.596590554086244
Energy: 1.4552850690953516
Energy: 1.4358878109152586
Energy: 1.3825793692487702
Energy: 1.6870118459965244
Energy: 1.5992129805128357
Energy: 1.4556232795707402
Energy: 1.434394852311187
Energy: 1.3829954209316697
Energy: 1.6851418508825056
Energy: 1.5988376909303674
Energy: 1.3947720782316084
Energy: 1.4638693995500227
Energy: 1.587161959372949
Energy: 1.4672198991898713
Energy: 1.3923129424788092
Energy: 1.3887247861251302
Energy: 1.6008179931543536
Energy: 1.5866433407777731
Energy: 1.4674276541604938
Energy: 1.38862490076736
Energy: 1.5955624627399763
Energy: 1.7368465479700381
Energy: 1.3318532615448608
Energy: 1.5328774206934241
Energy: 1.6001510934401062
Energy: 1.523934504189017
Energy: 1.7300498770658261
Energy: 1.333449477453514
Energy: 1.8886791655432371
Energy: 1.5988687482433899
Energy: 1.323730674619551
Energy: 1.3459569170098125
Energy: 1.5893655039284937
Energy: 1.6613819588837997
Energy: 1.32615405822172
Energy: 1.322163350184764
Energy: 1.3276340295448457
Energy: 1.588464926577276
Energy: 1.6627131952199263
Energy: 1.3975081081376612
Energy: 1.3459570247526274
Energy: 1.341638383754327
Energy: 1.3273420778327623
Energy: 1.6523578799294576
Energy: 1.3250065231418084
Energy: 1.34659330181077
Energy: 1.323795724683938
Energy: 1.3480595963761788
Energy: 1.5877870577074016
Energy: 1.3240598909058523
Energy: 1.3274685646076694
Energy: 1.3290875981054513
Energy: 1.6045343628254793
Energy: 1.599795790112338
Energy: 1.5847484211330483
Energy: 1.324285768692631
Energy: 1.330004231795829
Energy: 1.6087253413093758
Energy: 1.602492542169323
Energy: 1.5854943024651502
Energy: 1.5332165020254995
Energy: 1.589935168513297
Energy: 1.4649056030429513
Energy: 1.3275720465476455
Energy: 1.3207234103391159
Energy: 1.5311042085973654
Energy: 1.5903788587021186
Energy: 1.6337107936870612
Energy: 1.326333675026242
Energy: 1.4974368457920113

minimum gb energy = 1.3207234103391159 eV
minimum distance =  2.14336414208295 Angstroms
sigma value = 33