Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782
cohesive_energy=3.540278438756699
mass=63.546
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=[1.90759956573942e-19, 2.52610383352878e-19, 2.98993396907178e-19, 3.36652558689348e-19, 3.68409301751862e-19, 3.9576646777741197e-19, 4.1964210397728e-19, 4.406498440022879e-19, 4.592222755436159e-19, 4.756846404579659e-19, 4.90280469593706e-19, 5.03208432853452e-19, 5.1462714572397e-19, 5.24666384512614e-19, 5.33435097230496e-19, 5.410262101223879e-19, 5.47521434196624e-19, 5.529880608718319e-19, 5.57488575036738e-19, 5.6107424634363e-19, 5.63794742268162e-19, 5.65693321579452e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.66776392984036e-19, 5.6549945820673795e-19, 5.631746999108039e-19, 5.596002438403499e-19, 5.54542172206812e-19, 5.477088888628019e-19, 5.387527214787419e-19, 5.272474910699879e-19, 5.1266928587722195e-19, 4.94370826540308e-19, 4.71546218212344e-19, 4.431892939671779e-19, 4.0802472120414597e-19, 3.64426290639738e-19, 3.1029995741331596e-19, 2.42917214717178e-19, 1.5868149644332077e-19, 5.278563181909079e-20, -8.129812741541819e-20, -2.5257673764356396e-19, -4.7374760890746e-19, -7.63083085064886e-19, -1.1475958641650818e-18, -1.66844265958224e-18, -2.39057571205872e-18, -3.42114378834654e-18, -4.9463037915501595e-18, -7.31175737398776e-18, -1.1217335289390538e-17, -1.82539188264888e-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: 0.015448485754698755
Energy: 0.01863672217770361
Energy: 0.10681949159515382
Energy: 0.10606584952429286
Energy: 0.0180461463030387
Energy: 0.016938795713865012
Energy: 0.1051963480470134
Energy: 0.1056489816182162
Energy: 0.10591409953889598
Energy: 0.01748625085371138
Energy: 0.019968672181019373
Energy: 0.5931231060190019
Energy: 0.10471645902903526
Energy: 0.10640037942889581
Energy: 0.10680992004704555
Energy: 0.10516659646506345
Energy: 0.10426048420016688
Energy: 0.1045098464628525
Energy: 0.1050746370071758
Energy: 0.10648752463748493
Energy: 0.10683992710601194
Energy: 0.017873087385268
Energy: 0.01603973963947117
Energy: 0.10524307897540557
Energy: 0.10530597521100493
Energy: 0.10653727777994844
Energy: 0.01728239865271844
Energy: 0.015947249258058745
Energy: 0.10497729810581441
Energy: 0.10619669859248909
Energy: 0.10624341874802538
Energy: 0.016688872632107343
Energy: 0.01642698795146716
Energy: 0.10435700297795138
Energy: 0.10531015659629996
Energy: 0.10688905012822916
Energy: 0.016802846432793922
Energy: 0.016044671578338596
Energy: 0.5941224067214232
Energy: 0.10509992181819183
Energy: 0.1059516262138462
Energy: 0.10600918232500016
Energy: 0.10479189588781482
Energy: 0.01656761295603411
Energy: 0.01612049314375879
Energy: 0.1056175988586101
Energy: 0.1062687999556969
Energy: 0.10677708131910547
Energy: 0.017096292346335418
Energy: 0.5931654548683387
Energy: 0.1044924993709449
Energy: 0.10530004244012724
Energy: 0.10568180340088154
Energy: 0.016252315425508517
Energy: 0.01847840257385589
Energy: 0.10470199671333265
Energy: 1.3783904889373817
Energy: 0.10647931153983953
Energy: 0.016497636301075525
Energy: 0.01920755848374248
Energy: 0.019475510406828135
Energy: 0.10512692975193617
Energy: 0.10586062651929344
Energy: 0.10568902916003459
Energy: 0.10524983352272439
Energy: 0.019282280611312087
Energy: 0.10492967827863618
Energy: 0.10595545158447152
Energy: 0.10645511385505
Energy: 0.10704805997144778

minimum gb energy = 0.015448485754698755 eV
minimum distance =  2.52244917047157 Angstroms
sigma value = 3


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

Energy: 1.982478479134326
Energy: 1.2655110819381143
Energy: 1.28400148329214
Energy: 1.2952144089180737
Energy: 1.2107452623354296
Energy: 1.7666530794007935
Energy: 1.2134123476254794
Energy: 1.4794645065729877
Energy: 1.2939020468459508
Energy: 1.26430372503102
Energy: 1.208068956707737
Energy: 1.463796106614115
Energy: 1.2872251017741723
Energy: 1.4587723905974392
Energy: 0.9214571254767707
Energy: 1.012960152931493
Energy: 1.3284131762399076
Energy: 1.2987118498684853
Energy: 1.4649839432309406
Energy: 1.2778270629101474
Energy: 1.2369042602811793
Energy: 1.3161504738810728
Energy: 1.4035609286740436
Energy: 0.918879729768613
Energy: 1.1124988304251113
Energy: 0.9150266221820252
Energy: 1.393145303629129
Energy: 1.4291856797649545
Energy: 0.9187275461558976
Energy: 1.2945636968264915
Energy: 0.9168571603232093
Energy: 1.4194777481651415
Energy: 1.3919612997278688
Energy: 0.9309094284435853
Energy: 0.9781065075084895
Energy: 0.9886473155278948
Energy: 1.3807292999114127
Energy: 1.3985546037483494
Energy: 1.1261144285858737
Energy: 1.2844490829383017
Energy: 1.491249360899974
Energy: 1.383943368082569
Energy: 1.4691101575443497
Energy: 1.4727238649810785
Energy: 1.1138735980630836
Energy: 1.4494177856198258
Energy: 1.35408186823674
Energy: 1.3355250923576607
Energy: 1.5012112034893461
Energy: 1.2418003954320205
Energy: 1.36838012787146
Energy: 1.5507084541541465
Energy: 1.444869902014824
Energy: 1.2041685570838563
Energy: 1.285782383262242
Energy: 1.3513225158751412
Energy: 1.4955717339993548
Energy: 1.2342274181196653
Energy: 0.9891778057821734
Energy: 1.5080135721352568
Energy: 1.4158739994006169
Energy: 1.5180135805653787
Energy: 1.2171368232462996
Energy: 1.2080856675843545
Energy: 1.3696802059212754
Energy: 1.4185328545875282
Energy: 1.3650530552904971
Energy: 1.0559176144695948
Energy: 0.9943640632399487
Energy: 1.2805495052222646
Energy: 1.530868838190673
Energy: 1.3470951989199305
Energy: 1.3084888477361487
Energy: 1.385506768184316
Energy: 1.3450220603499863
Energy: 1.5283566349181958
Energy: 1.288899052579269
Energy: 1.592403736239159
Energy: 1.3703391941192067
Energy: 1.271828533903693
Energy: 1.4911244375740427
Energy: 1.3417577865157018
Energy: 0.9955293808654717
Energy: 1.5910626253567994
Energy: 1.3872911942310557
Energy: 1.470234103055171
Energy: 1.2672607993366336
Energy: 1.0896806198836726
Energy: 1.4298912419294583
Energy: 1.262871073729875
Energy: 1.4268262062078285
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Energy: 0.9914530286957982
Energy: 1.240424407845035
Energy: 1.1681771551475988
Energy: 1.2583319218008997
Energy: 1.2613821527684805
Energy: 0.9908321686617438
Energy: 1.1147589148304604
Energy: 1.1024723440505462
Energy: 1.1124597929841795
Energy: 1.2379094452876576
Energy: 1.2257470121175895
Energy: 1.2576169090346574
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Energy: 1.2295786250182343
Energy: 1.0287035149804789
Energy: 1.2692218682137777
Energy: 1.109391501552674
Energy: 1.0503255167960515
Energy: 1.5301511971658581
Energy: 1.0041983619657522
Energy: 1.2695116032109428
Energy: 1.5505892335938811
Energy: 1.3729797345392483
Energy: 1.3722815614410373
Energy: 0.9992936994812316
Energy: 1.3138908268458107
Energy: 1.490943174095421
Energy: 1.3949102266315734
Energy: 1.2888218207630304
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Energy: 1.2373697251630373
Energy: 1.5147993390666228
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Energy: 1.498126148528312
Energy: 1.3780824960126288
Energy: 1.30332833138676
Energy: 1.4524751453484939
Energy: 1.3661973685309257
Energy: 0.9896096728393817
Energy: 0.9934027560888115
Energy: 1.492772588223074
Energy: 1.4275922116930995
Energy: 1.4893839494250767
Energy: 0.990504820039389
Energy: 1.2594504523730368
Energy: 1.4973722298185128
Energy: 1.4830837836613704
Energy: 1.4748005990511843
Energy: 1.7699994493516142
Energy: 1.2690714076313176
Energy: 1.3274362668302935
Energy: 1.3477356724146117
Energy: 1.3279618404919398
Energy: 1.9152405561070798
Energy: 1.3370446086027072
Energy: 1.5270670858624533
Energy: 1.3381889649562666
Energy: 1.2824306833559411
Energy: 0.9899525786881953
Energy: 1.3800077906420363
Energy: 1.3340489130218582
Energy: 1.4975817357887344
Energy: 1.2652977498907623
Energy: 1.0920605708719584
Energy: 1.5094321796313563
Energy: 1.5211835255365762
Energy: 1.4933648338472223
Energy: 0.9937670598865275
Energy: 1.0296494963695642
Energy: 1.3750456654641774
Energy: 1.0748752081033321
Energy: 1.0285554263019492
Energy: 1.2022577246142043
Energy: 1.258248005466814
Energy: 1.4074729657537661
Energy: 1.4149011467424404
Energy: 1.265398947307327
Energy: 0.989536131104615
Energy: 1.025681530010409
Energy: 1.1736702819454061
Energy: 1.3930534780357609
Energy: 1.117114799700643
Energy: 1.1386831624540015
Energy: 1.0350281618570303
Energy: 1.089531654059327
Energy: 1.3971519719087393
Energy: 1.0275721673499483
Energy: 1.1383026356661836
Energy: 1.4415200839931894
Energy: 1.5500714974184877
Energy: 1.3524266051825171
Energy: 1.538832481820127
Energy: 1.035211453934759
Energy: 1.4743568754361203
Energy: 1.5506139564222159
Energy: 1.4298533331928924
Energy: 1.4592992902236774
Energy: 0.9895509421717368
Energy: 1.3642813904414859
Energy: 1.4999522567453005
Energy: 1.267697355997626
Energy: 0.9912086678295849
Energy: 1.438466406926536
Energy: 1.365916332627522
Energy: 1.4989919092109325
Energy: 1.437364085255386
Energy: 1.5087248729018239
Energy: 1.230933100878537
Energy: 1.425022621568301
Energy: 1.3865152313279678
Energy: 1.0551246805848322
Energy: 0.9909813651164913
Energy: 1.286543924261522
Energy: 1.4133415240844884
Energy: 1.5123256535077274
Energy: 1.1959285058093583
Energy: 1.2132369889540353
Energy: 1.3574811561757998
Energy: 1.517825227899478
Energy: 1.2880180470412514
Energy: 1.382715800598728
Energy: 1.373557126679833
Energy: 1.285335039314527
Energy: 1.5170680766471145
Energy: 1.3418256483240485
Energy: 1.500565318422644
Energy: 1.35438885383867
Energy: 1.3554701935596842
Energy: 1.4753257238896123
Energy: 1.2796728598797071
Energy: 0.9971099310389485
Energy: 1.4312544325042322
Energy: 1.2720147216374922
Energy: 1.489929299472709
Energy: 1.3597437904449952
Energy: 1.103450165676479
Energy: 1.5924836981671853
Energy: 1.321879143258024
Energy: 1.242006849799093
Energy: 1.2604983929503002
Energy: 0.9890626022696892
Energy: 1.1389954180021968
Energy: 1.0561557188482225
Energy: 1.2348948072096253
Energy: 1.2162331727318263
Energy: 0.9946577207381554
Energy: 1.2685021359856015
Energy: 1.0439231241478948
Energy: 1.5411298016514103
Energy: 1.02934001588496
Energy: 1.2335714890862917
Energy: 1.1729724036658487
Energy: 1.0451903422436564
Energy: 1.4086308481780705
Energy: 1.234576928648073
Energy: 1.2140321867794208
Energy: 1.24974228211616
Energy: 1.0496830056494306
Energy: 1.3973915342905523
Energy: 1.006711613375594
Energy: 1.2045299818568025
Energy: 1.5990782011915348
Energy: 1.304500495725196
Energy: 1.5559087110341279
Energy: 0.9326613655572901
Energy: 1.4471940369322998
Energy: 1.5608355643789322
Energy: 1.2900306113023403
Energy: 1.5060816085925532
Energy: 1.507431792895391
Energy: 1.1315032517932637
Energy: 1.5254913997181179
Energy: 1.3682792053126656
Energy: 1.1757501298340127
Energy: 1.5798891989760728
Energy: 1.1343100293660382
Energy: 1.5033848387232103
Energy: 1.3620068367251834
Energy: 1.2482602773783047
Energy: 1.2713474016699646
Energy: 1.4629498537720103
Energy: 1.3907253741392527
Energy: 1.5712709875631665
Energy: 1.074106758842347
Energy: 0.9196346920622579
Energy: 1.4550765463462139
Energy: 1.52216355214629
Energy: 1.3829308077443883
Energy: 1.4551689828461718
Energy: 1.3032875136408388
Energy: 1.4948353825373801
Energy: 1.2972652787522732
Energy: 1.2195630040994114
Energy: 1.5544803468291166
Energy: 1.193035507349987
Energy: 1.4768570372883805
Energy: 1.299961062773573
Energy: 1.2486778846325228

minimum gb energy = 0.9150266221820252 eV
minimum distance =  2.16568814706755 Angstroms
sigma value = 75


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

Energy: 2.829470198377077
Energy: 1.311321050822838
Energy: 1.353726112433788
Energy: 1.3557314380039747
Energy: 1.2878478330100676
Energy: 1.7837446377871293
Energy: 1.3201241062334559
Energy: 1.3562276339222634
Energy: 1.356100562583048
Energy: 1.3113576330386876
Energy: 1.172282029087471
Energy: 1.4184652039415777
Energy: 1.2167735362532597
Energy: 1.353908837378507
Energy: 1.2009843832900595
Energy: 1.298532769240483
Energy: 1.3590768171642904
Energy: 1.2354861226773526
Energy: 1.3796659193571736
Energy: 1.3212027400658204
Energy: 1.3579453903589156
Energy: 1.3858169218685268
Energy: 1.9765564174653247
Energy: 1.304094132455218
Energy: 1.2189628333480298
Energy: 1.1954554530513886
Energy: 1.8666442723571424
Energy: 1.3935526207893438
Energy: 1.2503149884893938
Energy: 1.2453703085011374
Energy: 1.3797566621779247
Energy: 1.2305328213042577
Energy: 1.4891290396834922
Energy: 1.1981950666793866
Energy: 1.450481364127362
Energy: 1.3238517763792232
Energy: 1.2009280426970959
Energy: 1.3828452258420525
Energy: 1.3003473207405372
Energy: 1.4502869125734263
Energy: 1.443491818115529
Energy: 1.221344074135348
Energy: 1.4573981028980674
Energy: 1.3925901320720155
Energy: 1.3841171505421859
Energy: 1.4047713129762356
Energy: 1.2215363364786456
Energy: 1.4243773847431422
Energy: 1.4069115325767978
Energy: 1.3669470863269828
Energy: 1.3236580208288793
Energy: 1.8523130745937717
Energy: 1.371964668809632
Energy: 1.2455461317271972
Energy: 1.3504112515500546
Energy: 1.3025174513792315
Energy: 1.7949211117565844
Energy: 1.3573351218152403
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Energy: 1.3532139665015195
Energy: 1.3204173174346079
Energy: 1.3371468347018791
Energy: 1.449628856270523
Energy: 1.2667217713328827
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Energy: 1.3440559474840343
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Energy: 1.2249508751951212
Energy: 1.275505826675652
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Energy: 1.2907091647141444
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Energy: 1.9765658290054988
Energy: 1.3729032236727445
Energy: 1.3317233994947295
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Energy: 1.2635113045119204
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Energy: 1.2907915510925
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Energy: 1.4418968636095129
Energy: 1.3112361844605664
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Energy: 1.4527456576040356
Energy: 1.2357441550015003
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Energy: 1.3511045324088757
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Energy: 1.345234971107102
Energy: 1.4570730093839184
Energy: 1.34515262729082
Energy: 1.2639700692437517
Energy: 1.3837264172597499
Energy: 1.4126495152313876
Energy: 1.2684563171385723
Energy: 1.3510811315321984
Energy: 1.2125322557278455
Energy: 1.3882637084990626
Energy: 1.3745789361146639
Energy: 1.4289935361566235
Energy: 1.3440877297348446
Energy: 1.4506180058469555
Energy: 1.3058138143726303
Energy: 1.977152023954707
Energy: 1.3464723299297565
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Energy: 1.4513171327816141
Energy: 1.2972372393636273
Energy: 1.9785071464999444
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Energy: 1.2665450018636721
Energy: 1.3377293384225848
Energy: 1.4964982123394484
Energy: 1.2791898232288712
Energy: 1.4956134675321782
Energy: 1.2959136775222433
Energy: 1.3462172792988307
Energy: 1.4787270265022927
Energy: 1.238645394635878
Energy: 1.4445260307593186
Energy: 1.7902970671731315
Energy: 1.4185573190569156
Energy: 1.4296844860332778
Energy: 1.365789524160499
Energy: 1.413085195993221
Energy: 1.7939267802447159
Energy: 1.397215916667651
Energy: 1.4803715609551755
Energy: 1.3491011106635011
Energy: 1.4066031804297652
Energy: 1.413202643104499
Energy: 1.4002822231948515
Energy: 1.2430459983629376
Energy: 1.4449704017688023
Energy: 1.275725241213662
Energy: 1.4017511884290412
Energy: 1.3962306004476905
Energy: 1.2404482493369227
Energy: 1.4487856780858357
Energy: 1.271154594415188
Energy: 1.4439493289515184
Energy: 1.369534267324097
Energy: 1.3212105669620855
Energy: 1.5512291815691095
Energy: 1.237074401822284
Energy: 1.4021331489150577
Energy: 1.3132151058749244
Energy: 1.3148630185406385
Energy: 1.5066723643786772
Energy: 1.1977770122136284
Energy: 1.2854051410811163
Energy: 1.2559191509169199
Energy: 1.451319708953074
Energy: 1.3023520617513054
Energy: 1.9769407978661107
Energy: 1.2633873073961115
Energy: 1.3107777410298138
Energy: 1.4507244169630211
Energy: 1.3034814697868333
Energy: 1.9798238025049857
Energy: 1.379741065831949
Energy: 1.2831232075720553
Energy: 1.327183179488386
Energy: 1.4686173545537233
Energy: 1.3468248602490822
Energy: 1.4499092994143552
Energy: 1.2666712009704149
Energy: 1.3199687252175603
Energy: 1.4489790314361009
Energy: 1.3064334238800372
Energy: 1.3845224770397575
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minimum gb energy = 1.172282029087471 eV
minimum distance =  2.23167627863314 Angstroms
sigma value = 105


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

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Energy: 1.2673856006012323
Energy: 1.3509854467720408
Energy: 1.4500175378748452
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Energy: 1.279702568070297
Energy: 1.3328100535534375
Energy: 1.3597752925743771
Energy: 1.3516657112834964
Energy: 1.3690473560231087
Energy: 1.2753747163617932
Energy: 1.3275355931803536
Energy: 1.3761528871881412
Energy: 1.3041210075756986
Energy: 1.2787031620105809
Energy: 1.3650246921920173
Energy: 1.270973320847283
Energy: 1.6285871015137992
Energy: 1.2790879383242841
Energy: 1.2667929807967484
Energy: 1.2738083696078337
Energy: 1.2887808953479953
Energy: 1.366142991772363
Energy: 1.3776089783940988
Energy: 1.3081512836246534
Energy: 1.3508928658410302
Energy: 1.2882592995078201
Energy: 1.3088541171399337
Energy: 1.2683900296823727
Energy: 1.307250705170534
Energy: 1.3498014484490768
Energy: 1.3023974102715439
Energy: 1.3660408953143806
Energy: 1.3717378909856537
Energy: 1.1796924264360318
Energy: 1.357349209396713
Energy: 1.3559244178545993
Energy: 1.362962136108264
Energy: 1.3909121424351218
Energy: 1.281985294262483
Energy: 1.3608628666226155
Energy: 1.4427060494565016
Energy: 1.3666613754963746
Energy: 1.3456580390035546
Energy: 1.418634552226867
Energy: 1.3542373284882676
Energy: 1.8176469290662345
Energy: 1.3472242515328328
Energy: 1.3674534327910144
Energy: 1.545050776685414
Energy: 1.40236202684558
Energy: 1.8192584864437336
Energy: 1.3353255920368268
Energy: 1.3722482889575232
Energy: 1.3645485240658757
Energy: 1.2464883489939353
Energy: 1.2932992420357825
Energy: 1.307202067011612
Energy: 1.3721804684462462
Energy: 1.364651053550404
Energy: 1.259171906162035
Energy: 1.2973593030361386
Energy: 1.3301252002901773
Energy: 1.3383547267793663
Energy: 1.205983412815719
Energy: 1.2069096706505094
Energy: 1.1777803643393632
Energy: 1.2249144048600071
Energy: 1.4017505115159317
Energy: 1.1746346018055633
Energy: 1.3026369226988006
Energy: 1.195003563380008
Energy: 1.3683528107905225

minimum gb energy = 1.1722101450217637 eV
minimum distance =  2.30325267519402 Angstroms
sigma value = 165


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

Energy: 1.8861867830114551
Energy: 1.2978451317057442
Energy: 1.3035039810383888
Energy: 1.3117950198947015
Energy: 1.2605438158674225
Energy: 1.7536603109796687
Energy: 1.2813066114465737
Energy: 1.279019568627755
Energy: 1.3077847126085551
Energy: 1.3332155888414552
Energy: 1.3150831640365934
Energy: 1.3858522663443504
Energy: 1.3110819571240762
Energy: 1.3313310560777527
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Energy: 1.2891745285429725
Energy: 1.335827192510295
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Energy: 1.36278331241273
Energy: 1.4930568933693633
Energy: 1.3811920098543302
Energy: 1.4580610428891525
Energy: 1.3201599525640264
Energy: 1.3520057505490086
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Energy: 1.3425875412373722
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Energy: 1.2669066742105286
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Energy: 1.3764162606385255
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Energy: 1.3704889396067392
Energy: 1.4038387906888474
Energy: 1.3909696505852456
Energy: 1.4137237091905999
Energy: 1.3584694701108513
Energy: 1.3330004646997975
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Energy: 1.3658133301947635
Energy: 1.3881065296937156
Energy: 1.3611426599795025
Energy: 1.388862799008374
Energy: 1.3101592982979942
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Energy: 1.3967316171495314
Energy: 1.5893063550099726
Energy: 1.3522783097257653
Energy: 1.4005350498955296
Energy: 1.366649793914932
Energy: 1.4009558005619984
Energy: 1.5577825050767222
Energy: 1.3631816998578146
Energy: 1.4150419423495455
Energy: 1.3031986526829547
Energy: 1.3729691557338943
Energy: 1.2585657302841626
Energy: 1.3725988375906921
Energy: 1.29050614606515
Energy: 1.3061864641987533
Energy: 1.3566857107137666
Energy: 1.3223992456046783
Energy: 1.3758055247894323
Energy: 1.4171202009266384
Energy: 1.3286271948961745
Energy: 1.257306049337246
Energy: 1.2854433324464565
Energy: 1.3609465763315207
Energy: 1.347918361228725
Energy: 1.3278396418321805
Energy: 1.349941567715609
Energy: 1.3235833002481376
Energy: 1.3681228109055168
Energy: 1.3322684272290055
Energy: 1.3644213762785695
Energy: 1.2729026312569993
Energy: 1.3434971923064414
Energy: 1.3074414604395124
Energy: 1.332428833827779
Energy: 1.3554478814502569
Energy: 1.276658072448905
Energy: 1.3931190262817186
Energy: 1.2991002446804192
Energy: 1.4260081735891859
Energy: 1.325926241067002
Energy: 1.3274572604245332
Energy: 1.311856900440862
Energy: 1.297413635875002
Energy: 1.3182482856330402
Energy: 1.3080646551277757
Energy: 1.3117421357590622
Energy: 1.3980248044675474

minimum gb energy = 1.201587522055859 eV
minimum distance =  2.25245208811444 Angstroms
sigma value = 41


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

Energy: 1.1830719478988934
Energy: 1.1178579955446266
Energy: 1.0997130508170647
Energy: 1.1167499625636523
Energy: 1.0716390971141223
Energy: 1.1058964169050802
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Energy: 1.2599955898580115
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Energy: 1.2897411118106068
Energy: 1.2639666048437022
Energy: 1.1790001756248065
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Energy: 1.1675783896400265
Energy: 1.2425685457543005
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Energy: 1.1445043411318225
Energy: 1.1813172967073207
Energy: 1.1906815096661878
Energy: 1.525422731918029
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Energy: 1.3452348823156337
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Energy: 1.1359052252465298
Energy: 1.229412759255025
Energy: 1.146419227630924
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Energy: 1.1278759285244793
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Energy: 1.122288692465215
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Energy: 1.3255839625046075
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Energy: 1.1636138431683383
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Energy: 1.2052269563726377
Energy: 1.3417330361567692
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Energy: 1.1062827184285835
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Energy: 1.2516625411484625
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Energy: 1.235411192848832
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Energy: 1.1749267916791748
Energy: 1.2368350976544384
Energy: 1.312117355773189
Energy: 1.2106589083966512
Energy: 1.3547799755106582
Energy: 1.1920377417758747
Energy: 1.2093888031286404
Energy: 1.193253372266496
Energy: 1.2032590709178346
Energy: 1.3636494378997226
Energy: 1.1916372476272887
Energy: 1.2442444498151453
Energy: 1.1924062938926838
Energy: 1.222828571993308
Energy: 1.151806619395098
Energy: 1.157863466354544
Energy: 1.209518041373501
Energy: 1.1666591398289907
Energy: 1.221971323274807
Energy: 1.1513563311819355
Energy: 1.1837276144326463
Energy: 1.2051132580369472
Energy: 1.2769924096689407
Energy: 1.2212350024812337
Energy: 1.2087911162999312
Energy: 1.1604515603495538
Energy: 1.353584889980216
Energy: 1.2213650493804384
Energy: 1.200366200521261
Energy: 1.1924362450100447
Energy: 1.170612429150102
Energy: 1.3628866846155756
Energy: 1.1809179619616639
Energy: 1.188176597427845
Energy: 1.113852307517601
Energy: 1.1826933642516353
Energy: 1.1545232876223321
Energy: 1.1029109198131108
Energy: 1.3286234793468692
Energy: 1.202678007576734
Energy: 1.1936314580134586
Energy: 1.1413248477358524
Energy: 1.1566132488742962
Energy: 1.1536644927395896
Energy: 1.1245805145778542
Energy: 1.069473041722712
Energy: 1.1085728267512946
Energy: 1.1574310067755187
Energy: 1.1540818496906002
Energy: 1.087478418992855
Energy: 1.1518144389362415
Energy: 1.1327629267511266
Energy: 1.2057985492495442
Energy: 1.2481066637914044
Energy: 1.126673101143199
Energy: 1.1011245473238875
Energy: 1.0785095384525727
Energy: 1.385464439644138
Energy: 1.1219445726655854
Energy: 1.1678690631893662
Energy: 1.075370153206919
Energy: 1.1612893619816762
Energy: 1.1402276098682513
Energy: 1.1345239378380587
Energy: 1.1806790636573292
Energy: 1.1507956441152767
Energy: 1.091414048345458
Energy: 1.105796781089431
Energy: 1.0922293986461622
Energy: 1.2984839840871947
Energy: 1.1607231000912934
Energy: 1.1069388093701382

minimum gb energy = 1.069473041722712 eV
minimum distance =  2.27781646276077 Angstroms
sigma value = 185


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

Energy: 1.5071720877056967
Energy: 1.1516852648979412
Energy: 1.4444307630704838
Energy: 0.6586157711215249
Energy: 0.7638393372649216
Energy: 0.9078206167848087
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Energy: 0.6608980989526223
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Energy: 1.329552709475707
Energy: 0.6734886757828422
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Energy: 0.9899071058367805
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Energy: 0.8851596415908162
Energy: 0.8791635490576869
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Energy: 0.7202115886916284
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Energy: 0.990831526920539
Energy: 1.0321841831396341
Energy: 0.6953927859510699
Energy: 1.3257623142816328
Energy: 0.6562963234902311
Energy: 0.8768546816809142
Energy: 0.91935313232651
Energy: 0.7207434837795853
Energy: 1.5632575258969315
Energy: 0.6950674565006439
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Energy: 0.6610886290169815
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Energy: 0.8745291648476152
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Energy: 1.0417758646879276
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Energy: 0.6589675167221545
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Energy: 0.701144809987052
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Energy: 0.8752041594078568
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Energy: 0.7125024067227507
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Energy: 1.0398486048576117
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Energy: 0.6612975857042591
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Energy: 0.9363643043021658
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Energy: 0.8021669109157016
Energy: 0.769876135909428
Energy: 0.7747312256352845
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Energy: 0.6805952178729211
Energy: 0.6628401474524905
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Energy: 0.7017200442084585
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Energy: 0.7986406895855617
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Energy: 0.653326674503103
Energy: 0.692821415900977
Energy: 0.7909892548658678
Energy: 0.7818867052198027
Energy: 0.8662465920424578
Energy: 0.8669171794642253
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Energy: 1.3407968872658835
Energy: 0.7981383240487293
Energy: 1.0821398554255346
Energy: 1.0843312977853794
Energy: 0.6494354322634588
Energy: 1.3103430225494974
Energy: 0.7011521365182132
Energy: 0.6621208679133175
Energy: 0.826668869696299
Energy: 0.6755883652338359
Energy: 0.7073303521557762
Energy: 0.6941217761633821
Energy: 0.6553566061410839
Energy: 0.6570687660065689
Energy: 0.6639425866680914
Energy: 0.8220676279180587
Energy: 0.7888922459494684
Energy: 0.8233430719130288
Energy: 0.6638126439508012
Energy: 0.8077567882054268
Energy: 0.8224612975584076
Energy: 0.7877900166110522
Energy: 0.9858201214497733
Energy: 0.6624869073598356
Energy: 0.7199103767382767
Energy: 0.6712975807066891
Energy: 0.8331774122144944
Energy: 0.8688363442457939
Energy: 0.8146015404606294
Energy: 1.4759408992611889
Energy: 0.8016919713253514
Energy: 0.9874785735110153
Energy: 1.0298019968170058
Energy: 0.80387768622331
Energy: 2.185826076831581
Energy: 0.8061020458091769
Energy: 0.7253447548369137
Energy: 0.6604260572395583
Energy: 0.8208018887296101
Energy: 1.5261437487479907
Energy: 0.7126133718892218
Energy: 0.6918654686173601
Energy: 0.6500330700479724
Energy: 0.8899797282782942
Energy: 1.4519386046438594
Energy: 0.8650746067131113
Energy: 1.2487620702817586
Energy: 0.7937356765134489
Energy: 0.8090108694346085
Energy: 0.6601765312452236
Energy: 0.6602475710389916
Energy: 0.760960477689268
Energy: 0.6575336072087558
Energy: 0.6632455854739105
Energy: 0.995583982162427
Energy: 1.1405629535314088

minimum gb energy = 0.6441590865308188 eV
minimum distance =  2.27828439412218 Angstroms
sigma value = 33


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

Energy: 2.2868803452960513
Energy: 1.0511517452291395
Energy: 1.0242217457992042
Energy: 1.052053183685982
Energy: 1.0289503682251442
Energy: 1.0208078754009677
Energy: 1.0488048057837942
Energy: 1.0157452273360559
Energy: 1.0540523500865506
Energy: 1.038221915880161
Energy: 1.0531826725447913
Energy: 1.0362244787614867
Energy: 1.0129243699542587
Energy: 1.0735194904104464
Energy: 1.0484579529012414
Energy: 1.0717628026425858
Energy: 1.0198857667961116
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Energy: 1.0419012490432178
Energy: 1.019396348566589
Energy: 1.0450800815109396
Energy: 1.0713100663081216
Energy: 1.0815465402506006
Energy: 1.0530835534369691
Energy: 1.0514686226462588
Energy: 1.0382997332302282
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Energy: 1.08454431654905
Energy: 1.020920092529528
Energy: 1.0511607536134264
Energy: 1.0931061832071236
Energy: 1.0256717982949803
Energy: 1.051513459132198
Energy: 1.0556502217086268
Energy: 1.0299749143271204
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Energy: 1.0291224215464752
Energy: 1.0374678511995512
Energy: 1.0531801727842656
Energy: 1.029948405359914
Energy: 1.0813440825068066
Energy: 1.033189232842919
Energy: 1.0255084873989893
Energy: 1.0810000862292586
Energy: 1.0222202221743952
Energy: 1.0866514592035281
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Energy: 1.0370438261384483
Energy: 1.0539962578916684
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Energy: 1.033970729694317
Energy: 1.0447721951597921
Energy: 1.0382321119379816
Energy: 1.0284479942648994
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Energy: 1.031603846153076
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Energy: 1.0341365950873935
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Energy: 1.0803092378910186
Energy: 1.0428683582814329
Energy: 1.0386758489959278
Energy: 1.0618446921670857
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Energy: 1.0827263479625677
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Energy: 1.0343486778324005
Energy: 1.022324049745586
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Energy: 1.0308510350857987
Energy: 1.05402340322386
Energy: 1.0541846576456364
Energy: 1.028434443171041
Energy: 1.0320124108782363
Energy: 1.0305763497677813
Energy: 1.0442019836221879
Energy: 1.0505519786887585
Energy: 1.0209334150588139
Energy: 1.0439521245470882
Energy: 1.0409002025097125
Energy: 1.035192655321789
Energy: 1.05131845190346
Energy: 1.1942831206893683
Energy: 1.0429072546008902
Energy: 1.0419898147689681
Energy: 1.0491821143844327
Energy: 1.0347004869539362
Energy: 1.07748890079006
Energy: 1.0481162733871623
Energy: 1.0622375294537099
Energy: 1.0356476316427332
Energy: 1.0343258058897802
Energy: 1.0780372785342018
Energy: 1.047297345480737
Energy: 1.0644959309151718
Energy: 1.0395732429798257
Energy: 1.0351102166970825
Energy: 1.1327154811895248
Energy: 1.0363852743849895
Energy: 1.2169841661938143
Energy: 1.0390825216874418
Energy: 1.039400813797226
Energy: 1.07816583559348
Energy: 1.036031604355796
Energy: 1.0613585726772652
Energy: 1.1118089450921897
Energy: 1.0752783281252623
Energy: 1.0463885255147272
Energy: 1.0342420417436555
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Energy: 1.0331257593796015
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Energy: 1.031355819285237
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Energy: 1.0311392660648067
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Energy: 1.0312187121396559
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Energy: 1.0356960325044586
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Energy: 1.077207283054718
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Energy: 1.0966036929253729
Energy: 1.0763366444012394
Energy: 1.0480740098531027
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Energy: 1.032292172399059
Energy: 1.0431717077156215
Energy: 1.028814225664487
Energy: 1.0477971800249966
Energy: 1.0497736278689083
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Energy: 1.0426884992511471
Energy: 1.0307387076701633
Energy: 1.0487102706139744
Energy: 1.0651933218160923
Energy: 1.0950880723798917
Energy: 1.0436380467658435
Energy: 1.0309705293715474
Energy: 1.0582787944418814
Energy: 1.0371833720514216
Energy: 1.0394183363202332
Energy: 1.043572544590449
Energy: 1.0303423957279212
Energy: 1.0841278349430024
Energy: 1.0336609947549915
Energy: 1.0268748169720894
Energy: 1.0523277487614868
Energy: 1.0579091965575778
Energy: 1.093959562292743
Energy: 1.0236966417981266
Energy: 1.0421101883321657
Energy: 1.0795734788150153
Energy: 1.0656950039744353
Energy: 1.1034297099837418
Energy: 1.011867254488325
Energy: 1.0409292175702427
Energy: 1.0303873269653172
Energy: 1.0570660424211673
Energy: 1.0220815610713105
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Energy: 1.0219469108771615
Energy: 1.0484352792850156
Energy: 1.016077340231746
Energy: 1.0490383533530505
Energy: 1.0558862444318424

minimum gb energy = 0.9933675755423889 eV
minimum distance =  2.29227227582755 Angstroms
sigma value = 219


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

Energy: 2.137846387530331
Energy: 1.4067990935739554
Energy: 1.3388042597397765
Energy: 1.3401048162577518
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Energy: 1.3497747150676502
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Energy: 1.3105844704828389
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Energy: 1.3341927495738415
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Energy: 1.3294192016622133
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Energy: 1.3579886328845379
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Energy: 1.3344381994983003
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Energy: 1.292051408611557
Energy: 1.4374077270061694
Energy: 1.3789551809712866
Energy: 1.3809408585778555
Energy: 1.5379728914083948
Energy: 1.3339551256434412
Energy: 1.3599635383351796
Energy: 1.5573203455720526
Energy: 1.3663214549916285
Energy: 1.5437992221173127
Energy: 1.370694446040945
Energy: 1.3601713906646733
Energy: 1.3848621063016298
Energy: 1.3664354228211164
Energy: 1.3289699682310059
Energy: 1.3338344522088137
Energy: 1.329342842550107
Energy: 1.3394320969455829
Energy: 1.350387499714389
Energy: 1.3282755137795752
Energy: 1.334420503904673
Energy: 1.3364443372064958
Energy: 1.292123234328104
Energy: 1.3487096465797048
Energy: 1.2707244846324712
Energy: 1.32934543469842
Energy: 1.4413573423320678
Energy: 1.4238834664846158
Energy: 1.3337475654042914
Energy: 1.2711796293243338
Energy: 1.4228604675787042
Energy: 1.4420431248927539
Energy: 1.4232792395406342
Energy: 1.3339926695840816

minimum gb energy = 1.2707244846324712 eV
minimum distance =  2.31398203972699 Angstroms
sigma value = 15


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

Energy: 2.4704333078767267
Energy: 1.5072534447147603
Energy: 1.6633084185728082
Energy: 1.499988944199965
Energy: 1.540400433160223
Energy: 1.4423325670532734
Energy: 1.5038910459080825
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Energy: 1.4254773032880854
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Energy: 1.534578144268915
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Energy: 1.556052595467578
Energy: 1.4630536628615542
Energy: 1.5340169568668633
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Energy: 1.4837346673493093
Energy: 1.5458964806936633
Energy: 1.4651190686597109
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Energy: 1.461436678983311
Energy: 1.5528362472345876
Energy: 1.505320089013576
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Energy: 1.5221693800531289
Energy: 1.4610489207378525
Energy: 1.4732835309918182
Energy: 1.585175707227286
Energy: 1.5396018925020518
Energy: 1.5293961050013485
Energy: 1.4684890592544941
Energy: 1.473820402710146
Energy: 1.672784554456272
Energy: 1.5777013959565647
Energy: 1.5271412863331049
Energy: 1.4776211435104405
Energy: 1.5929595263817318
Energy: 1.4745870737182927
Energy: 1.5211191335544774
Energy: 1.502102085309598
Energy: 1.5227613816102203
Energy: 1.61304574450342
Energy: 1.4752928032127313
Energy: 1.51819857834274
Energy: 1.5398878716500624
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minimum gb energy = 1.4017158194765698 eV
minimum distance =  2.29614563212211 Angstroms
sigma value = 293


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

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Energy: 1.4710186316058596
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Energy: 1.488437770956049
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Energy: 1.4614805082152984
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Energy: 1.552498141647346
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Energy: 1.4719460435395946
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Energy: 1.4609536183159573
Energy: 1.5362959611443685
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Energy: 1.5015355526283654
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Energy: 1.4516871451958022
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Energy: 1.5530529072904713
Energy: 1.5364309823389082
Energy: 1.485825898503414
Energy: 1.5706290332973378
Energy: 1.7057678469498967
Energy: 1.4357018190550876
Energy: 1.6102916952153823
Energy: 1.4496460600399415
Energy: 1.4715879340355866
Energy: 1.5345593591583289
Energy: 1.4366491510556183
Energy: 1.610862548255951
Energy: 1.4496044830500712
Energy: 1.5079923680999474
Energy: 1.5347348958844154
Energy: 1.436763955255624
Energy: 1.5482514724740257
Energy: 1.5127641787435853
Energy: 1.4708067800887374
Energy: 1.5072459153863587
Energy: 1.4502170563338834
Energy: 1.5479153786468216
Energy: 1.514333063847255
Energy: 1.449517772526187
Energy: 1.4878370651440662
Energy: 1.4716673995459673
Energy: 1.4863939903214247
Energy: 1.494359673695763
Energy: 1.5081705042723268
Energy: 1.5071324415261762
Energy: 1.7056078118914042
Energy: 1.4859514669857783
Energy: 1.4952280892704481
Energy: 1.5087810818459617
Energy: 1.5084586791388819
Energy: 1.5925976884797093
Energy: 1.4859619489835145
Energy: 1.5883621381009467
Energy: 1.5058038737509882
Energy: 1.450029850424102
Energy: 1.5179263457967591
Energy: 1.5892979605165396
Energy: 1.5872953125011064
Energy: 1.506810458410168
Energy: 1.570489982754739
Energy: 1.5174164341237386
Energy: 1.506956994060276
Energy: 1.5657564194313238
Energy: 1.6391025259087306
Energy: 1.505960058165913
Energy: 1.5386442098345494
Energy: 1.4867969892436212
Energy: 1.5652509753156045
Energy: 1.6364074021143606
Energy: 1.5063662825601585
Energy: 1.5357704526616178
Energy: 1.500930370893787
Energy: 1.574835220576038
Energy: 1.4619010695537191
Energy: 1.642425738392252
Energy: 1.5395829625467965
Energy: 1.4355573120218639
Energy: 1.510307707376818
Energy: 1.4614550922592038
Energy: 1.6040418958055433
Energy: 1.5448797598024921

minimum gb energy = 1.381655007718253 eV
minimum distance =  2.28838270163724 Angstroms
sigma value = 293


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

Energy: 1.5102503685389972
Energy: 1.4404854732196415
Energy: 1.481632200000826
Energy: 1.5629851065261668
Energy: 1.440725578628098
Energy: 1.5111814475179233
Energy: 1.450188471628057
Energy: 1.4819704581488338
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Energy: 1.4507532629362254
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Energy: 1.4817320694758114
Energy: 1.5624566845884287
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Energy: 1.4501487379767817
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Energy: 1.5149223890853851
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Energy: 1.4409943291777374
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Energy: 1.5192376103290233
Energy: 1.4491012504015055
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Energy: 1.441152097783222
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Energy: 1.5618891013787275
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Energy: 1.5633325216314917
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Energy: 1.562014857490795
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Energy: 1.4501168037017578
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Energy: 1.4818714657170835
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Energy: 1.4411786861447682
Energy: 1.5610780120466012
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Energy: 1.4820369387984162
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Energy: 1.4911563356596196
Energy: 1.4502006633974465
Energy: 1.515034941773924
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Energy: 1.5109947254008977
Energy: 1.4408776737917937
Energy: 1.4517241612839997
Energy: 1.5628753290305961
Energy: 1.450052572340358
Energy: 1.489571571660466
Energy: 1.5107330620568946
Energy: 1.586190753675727
Energy: 1.4822443459715864
Energy: 1.4499072052951667
Energy: 1.4894426229142141
Energy: 1.5110118225680162
Energy: 1.5275082368739084
Energy: 1.4503868378304292
Energy: 1.4501296612865404
Energy: 1.5154382663443258
Energy: 1.4494538010528255
Energy: 1.4817480907256375
Energy: 1.4411004633750497
Energy: 1.4504803084253848
Energy: 1.515379868265455
Energy: 1.449949299662661
Energy: 1.4817338493384866
Energy: 1.4407130540238788
Energy: 1.5144439356240926
Energy: 1.4814883470251397
Energy: 1.4494434817062911
Energy: 1.450023660275536
Energy: 1.5866693262186546
Energy: 1.5146332680135535
Energy: 1.4808873034995576
Energy: 1.4491626140070148
Energy: 1.483000195615322
Energy: 1.4818465802161407
Energy: 1.449713269051685
Energy: 1.56231298049321
Energy: 1.4816604517002632
Energy: 1.5107949310859932
Energy: 1.4898323056214788
Energy: 1.450180113447087
Energy: 1.5628009155319722
Energy: 1.4813880588844726
Energy: 1.5106369257327334
Energy: 1.4417291678865105
Energy: 1.4817551284426225
Energy: 1.4408820386061445
Energy: 1.450198304569164
Energy: 1.4416254800018977
Energy: 1.561577434526023
Energy: 1.4822896685218026
Energy: 1.451168100392296
Energy: 1.4497854742967422
Energy: 1.511506662375525
Energy: 1.482459812732647
Energy: 1.481497742706848
Energy: 1.4814808271039601
Energy: 1.5631700214420858
Energy: 1.5144648084565158
Energy: 1.4493813158564854
Energy: 1.4813586377371244
Energy: 1.481292410005201
Energy: 1.5631173761848238
Energy: 1.450219567593009
Energy: 1.451155759314254
Energy: 1.5113875539831663
Energy: 1.4492522997250368
Energy: 1.4496632462611954
Energy: 1.5149861186144393
Energy: 1.562248470454361
Energy: 1.5117518562344896
Energy: 1.4491518963352474
Energy: 1.4801391695957107
Energy: 1.5147404172328065
Energy: 1.562310759224258

minimum gb energy = 1.4404854732196415 eV
minimum distance =  2.26415051138107 Angstroms
sigma value = 15


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

Energy: 1.502689145519419
Energy: 1.5841181465186882
Energy: 1.6006748745625121
Energy: 1.626407157049285
Energy: 1.5542776343430915
Energy: 1.4456413935252785
Energy: 1.5703008611572091
Energy: 1.581344898801952
Energy: 1.6454621082022585
Energy: 1.567651403306334
Energy: 1.3958193196414155
Energy: 1.5309725753843406
Energy: 1.4934747646389779
Energy: 1.4800477260599247
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Energy: 1.6269323758511252
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Energy: 1.7216279780727037
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Energy: 1.6261572507539233
Energy: 1.6897940907472442
Energy: 1.5958273461905332
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Energy: 1.5759723002802903
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Energy: 1.5280715363075585
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Energy: 1.5555177866327246
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Energy: 1.4761210968535778
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Energy: 1.4815696836753098
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Energy: 1.4759075063582596
Energy: 1.6058633080621145
Energy: 1.500246000775804
Energy: 1.4908239814131015
Energy: 1.4088483112362238
Energy: 1.5962040555775052
Energy: 1.656905707898505
Energy: 1.652262030035219
Energy: 1.6292308028139806
Energy: 1.4073049834528066
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Energy: 1.6192275486661623
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Energy: 1.6220105388433381
Energy: 1.4853252112607358
Energy: 1.8469540456023021
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Energy: 1.622371156400864
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Energy: 1.520447239291212
Energy: 1.5492379697294059
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Energy: 1.5545621384153439
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Energy: 1.6550665482849007
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Energy: 1.7242299280239777
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Energy: 1.6254431212650045
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Energy: 1.7485955259785047
Energy: 1.431127484826149
Energy: 1.4504883448615868
Energy: 1.6771006399145243
Energy: 1.8442353528437516
Energy: 1.6949351459249538
Energy: 1.4545538158336229
Energy: 1.5227116314842057
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Energy: 1.4343593570793896
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Energy: 1.4264020036019085
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Energy: 1.4310354221586417
Energy: 1.5785649790392113
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Energy: 1.7517212362973953
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Energy: 1.5089682887767866
Energy: 1.6152524469795764
Energy: 1.7532124069713326
Energy: 1.4830966485128374
Energy: 1.46540838731134
Energy: 1.4556726040122367
Energy: 1.6202977994143635
Energy: 1.770245918887357
Energy: 1.4634867366187494
Energy: 1.4456025652085784
Energy: 1.5804695051258681
Energy: 1.6488290083452035
Energy: 1.563091578211142
Energy: 1.4574343423656875
Energy: 1.486959258728815
Energy: 1.4631557054122497
Energy: 1.8084579327901766
Energy: 1.5060693800463925
Energy: 1.4516682180099059
Energy: 1.44846717096881
Energy: 1.4581273275539965
Energy: 1.7213581780004632
Energy: 1.6267199397143726
Energy: 1.4647661050275884
Energy: 1.4901733645442132
Energy: 1.5338018269047802
Energy: 1.721586770223787
Energy: 1.626081536722805
Energy: 1.4243255907847385
Energy: 1.4825345275834854
Energy: 1.5343194403680933
Energy: 1.7921979371133616
Energy: 1.4205695035163215
Energy: 1.5399158968368964
Energy: 1.5018582830676968
Energy: 1.5356181458664175
Energy: 1.8031469254352217
Energy: 1.4304520377655632
Energy: 1.6023818636549965
Energy: 1.5105525840782994
Energy: 1.5896936024193642
Energy: 1.5061815878767588
Energy: 1.5473333116364345
Energy: 1.537142570776488
Energy: 1.4358688253274177
Energy: 1.5370934503959528
Energy: 1.4945515880102125
Energy: 1.5371272930758064
Energy: 1.7633576889562022
Energy: 1.4595919405530338
Energy: 1.5689177715903222
Energy: 1.559645966054614
Energy: 1.5612597165996236
Energy: 1.5589898492301155
Energy: 1.405870251936498
Energy: 1.5417022523100485
Energy: 1.5345432698210475
Energy: 1.5398996714341309
Energy: 1.58373037181673
Energy: 1.491719518386738
Energy: 1.538839333295139
Energy: 1.6794356785481352
Energy: 1.6590014533914443
Energy: 1.6443715750226033
Energy: 1.6122856347494443
Energy: 1.5975381830212962
Energy: 1.6934854115063085
Energy: 1.649056683647583
Energy: 1.6379694824793123
Energy: 1.6310802947769514
Energy: 1.5178266507448577
Energy: 1.453588074297309
Energy: 1.5522506118104435
Energy: 1.7293266196963593
Energy: 1.4922433809352387
Energy: 1.6124649414947707
Energy: 1.4503130828678008
Energy: 1.5931019244408529
Energy: 1.740341209826882
Energy: 1.488505755572993
Energy: 1.6126725146034426
Energy: 1.6751814969073733
Energy: 1.7701449125082096
Energy: 1.750802212671764
Energy: 1.6654301254719859
Energy: 1.4377490548420846
Energy: 1.691359500467736
Energy: 1.7719724755976045
Energy: 1.7531177579524513
Energy: 1.6777542525869737
Energy: 1.4429309981301581
Energy: 1.4429224655605273
Energy: 1.6083765472364984
Energy: 1.5121326485836322
Energy: 1.4265521333551159
Energy: 1.4442773819281747
Energy: 1.4410754761921318
Energy: 1.6705224176915274
Energy: 1.5015638921558512
Energy: 1.428511283800805
Energy: 1.4417418354123421
Energy: 1.4421290600388144
Energy: 1.808829071771739
Energy: 1.6366393565913402
Energy: 1.4249997280455888
Energy: 1.4264731823318955
Energy: 1.4886525619426927
Energy: 1.7365999610827587
Energy: 1.6341678335113894
Energy: 1.4297510744105892
Energy: 1.430409359400501
Energy: 1.6031372601817346
Energy: 1.577836319108306
Energy: 1.6030448385441065
Energy: 1.4947793632492838
Energy: 1.625646649997103
Energy: 1.6002202651154345
Energy: 1.5792012689391186
Energy: 1.5777786101703826
Energy: 1.5731574876398122
Energy: 1.6241121359903563
Energy: 1.4412525830608516
Energy: 1.4339864277810794
Energy: 1.6253365518037886
Energy: 1.8439952875279306
Energy: 1.5023720107850733
Energy: 1.471958783439581
Energy: 1.4539277607615084
Energy: 1.600928660734077
Energy: 1.7425582575871004
Energy: 1.5062565868652047
Energy: 1.4397213714507273
Energy: 1.4355247355335907
Energy: 1.468648562875465
Energy: 1.8351376056324389
Energy: 1.4026989477832659
Energy: 1.446435786853433
Energy: 1.4665763354071017
Energy: 1.4950474165595677
Energy: 1.7784521111289258
Energy: 1.4409615361789405
Energy: 1.4407954932011364
Energy: 1.5607699418277252
Energy: 1.6551962631043262
Energy: 1.6508511184558001
Energy: 1.5835755327637708
Energy: 1.402728987902583
Energy: 1.5749360291340515
Energy: 1.7217975006415085
Energy: 1.5912615025002312
Energy: 1.5823680193289704
Energy: 1.5467795637874902
Energy: 1.6362088515171411
Energy: 1.7307830847838632
Energy: 1.4864315599223443
Energy: 1.4780073097249113
Energy: 1.4398374701033905
Energy: 1.61774346210434
Energy: 1.7415241573661842
Energy: 1.558934205476416
Energy: 1.552700346739977

minimum gb energy = 1.3917617076628306 eV
minimum distance =  2.24251150858662 Angstroms
sigma value = 437


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

Energy: 2.0593981517268265
Energy: 1.441387549082388
Energy: 1.4756172013165767
Energy: 1.511855413314515
Energy: 1.477059749457914
Energy: 2.060306024061491
Energy: 1.5634851039006337
Energy: 1.4756143569946965
Energy: 1.5844849956306193
Energy: 1.5590638915828412
Energy: 1.2765952568564103
Energy: 1.6118296956640246
Energy: 1.562603073933539
Energy: 1.5574871155063046
Energy: 1.636050780703059
Energy: 1.30285645042285
Energy: 1.6596496089289074
Energy: 1.6484143923918697
Energy: 1.6693207537068595
Energy: 1.6080837575871096
Energy: 1.4251676151609431
Energy: 1.4509359915857032
Energy: 1.6069669673619251
Energy: 1.3346653845979408
Energy: 1.413349605533065
Energy: 1.4255220865966403
Energy: 1.5344657262628347
Energy: 1.641628098728681
Energy: 1.3281042171375657
Energy: 1.4135975727708918
Energy: 1.3380181782039942
Energy: 1.3381549091649974
Energy: 1.593013375975853
Energy: 1.5057907555322576
Energy: 1.41006885371228
Energy: 1.3272255505344381
Energy: 1.3284684551947055
Energy: 1.4727706184613008
Energy: 1.471031141457325
Energy: 1.4106333052120752
Energy: 1.543697898744912
Energy: 1.57659281497592
Energy: 1.551205581710921
Energy: 1.325358544509141
Energy: 1.554223469857138
Energy: 1.5045877504973075
Energy: 1.5770699171239644
Energy: 1.3682530634406163
Energy: 1.362406620488546
Energy: 1.5544655405869445
Energy: 1.340546155239766
Energy: 1.332002538722823
Energy: 1.4037799204182122
Energy: 1.5065584126560314
Energy: 2.062273777044255
Energy: 1.341618959280967
Energy: 1.313940366916089
Energy: 1.4020783786342015
Energy: 1.5076780227140816
Energy: 2.0620351152471645
Energy: 1.4370387834340732
Energy: 1.4249948861212063
Energy: 1.419180608253665
Energy: 1.5013727021773244
Energy: 1.4731089239848445
Energy: 1.4364806794196974
Energy: 1.4198156286001233
Energy: 1.4198141441568868
Energy: 1.4726358895039813
Energy: 1.4756835460085542
Energy: 1.6163846223738774
Energy: 1.3035638704163623
Energy: 1.3132745984964873
Energy: 1.8588982697925045
Energy: 1.653543484933168
Energy: 1.434753528042207
Energy: 1.303890790827113
Energy: 1.3134811059677476
Energy: 1.8573321591608303
Energy: 1.654152820067088
Energy: 1.3214732789206218
Energy: 1.576961086377883
Energy: 1.457805634354504
Energy: 1.624510832797724
Energy: 1.3318623948413046
Energy: 1.3206738589013718
Energy: 1.6044813914716498
Energy: 1.4565677391606835
Energy: 1.6284097629050034
Energy: 1.3341212924076538
Energy: 1.4534779962001465
Energy: 1.577891614586834
Energy: 1.3020062538900985
Energy: 1.7181756875757808
Energy: 1.4546509625442936
Energy: 1.4715483278237371
Energy: 1.5311891388517036
Energy: 1.3000221021846858
Energy: 1.7184060977966262
Energy: 1.4540885690128382
Energy: 1.2829362335426793
Energy: 1.3011009967098048
Energy: 1.6163336071523173
Energy: 1.6768070039140195
Energy: 1.335952440291111
Energy: 1.2819868444960902
Energy: 1.3014811332477194
Energy: 1.6149060412374208
Energy: 1.710431258284714
Energy: 1.3142535589014868
Energy: 1.2998584560982145
Energy: 1.299126753741815
Energy: 1.3298692269273578
Energy: 1.6871321887527246
Energy: 1.3291060770559768
Energy: 1.3001123567537296
Energy: 1.3000071341420771
Energy: 1.4431712457908838
Energy: 1.5706105502228804
Energy: 1.3098104648746292
Energy: 1.3004326308753928
Energy: 1.3141152131799267
Energy: 1.620984124421367
Energy: 1.669842247875456
Energy: 1.612188743020198
Energy: 1.303103379949726
Energy: 1.3780811275494147
Energy: 1.6213879874649118
Energy: 1.6686903716071806
Energy: 1.6314092509229645
Energy: 1.6460935138407466
Energy: 1.5555222677657792
Energy: 1.7194753813786705
Energy: 1.333081681731287
Energy: 1.3441858994852705
Energy: 1.534382131469022
Energy: 1.5561751623787135
Energy: 1.7190507105729411
Energy: 1.3319770492941052
Energy: 1.3324102126162054

minimum gb energy = 1.2765952568564103 eV
minimum distance =  2.30345652634076 Angstroms
sigma value = 33