Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337375544713
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6341560796146398e-19, 2.31524136672804e-19, 3.32184088057122e-19, 3.83942404218492e-19, 4.2713227974122996e-19, 4.64185818755748e-19, 4.96335095093592e-19, 5.244340689006839e-19, 5.4909797600448e-19, 5.70796254158742e-19, 5.89894199636022e-19, 6.066834085837079e-19, 6.21405809673534e-19, 6.34255266278214e-19, 6.454000069443179e-19, 6.5498422756890595e-19, 6.63126489222894e-19, 6.69937342094028e-19, 6.755065080738119e-19, 6.79917300347214e-19, 6.83243419039398e-19, 6.85550553392358e-19, 6.86896381764918e-19, 6.87333775986e-19, 6.86864338232238e-19, 6.85348679136474e-19, 6.82605752739066e-19, 6.78416060841156e-19, 6.72528061711206e-19, 6.6463093308222e-19, 6.543593786816461e-19, 6.41267993405232e-19, 6.24818445903954e-19, 6.04358650287774e-19, 5.79077905179888e-19, 5.47982861067216e-19, 5.098334332350419e-19, 4.6306910164185e-19, 4.0571278032128394e-19, 3.35229825838356e-19, 2.48334173916732e-19, 1.40717571587586e-19, 6.634196875469159e-21, -1.6170768766962e-19, -3.7536595269668996e-19, -6.50991603396978e-19, -1.0148875735708619e-18, -1.5109342768703339e-18, -2.21712406966188e-18, -3.2837250984483598e-18, -5.0314594796472595e-18, -8.22419696705076e-18, -1.491016016956446e-17, -3.1288426832395797e-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: 0.015049953233179834
Energy: 0.015370844727791955
Energy: 0.12045143432439973
Energy: 0.1212585872448317
Energy: 0.11244312595044477
Energy: 0.11237619715987664
Energy: 0.11254142272059894
Energy: 0.12080723499915484
Energy: 0.12056423406513052
Energy: 0.017086776987480443
Energy: 0.015432792397858414
Energy: 0.1206201702965154
Energy: 0.11228969080602845
Energy: 0.01566542310875868
Energy: 0.016178995780413364
Energy: 0.12060827269897499
Energy: 0.12067550270371226
Energy: 0.11265696772751035
Energy: 0.12041577004296099
Energy: 0.11234156232993599
Energy: 0.12067160948015163
Energy: 0.12048155631965662
Energy: 0.1119832103687198
Energy: 0.015338739531528435
Energy: 0.12133303822084145
Energy: 0.11218767940977141
Energy: 0.01630972424670661
Energy: 0.015381818781627159
Energy: 0.1129037464580901
Energy: 0.1217498955682536
Energy: 0.01621213105212673
Energy: 0.11344645360173487
Energy: 0.12026269676108195
Energy: 0.12103927200394206
Energy: 0.12073794681673289
Energy: 0.11261823069068774
Energy: 0.0160064523745627
Energy: 0.01559271686376263
Energy: 0.12079855744639784
Energy: 0.015452130912987938
Energy: 0.016643445000301696
Energy: 0.12075475097621274
Energy: 0.12094938257131027
Energy: 0.01583877709022221
Energy: 0.015230455729948968
Energy: 0.12049378357797735
Energy: 0.120541675598364
Energy: 0.12063405739389566
Energy: 0.12049956177321922
Energy: 0.015143324006879741
Energy: 0.12067234574114714
Energy: 0.12021117701184923
Energy: 0.11242914284456997
Energy: 0.015379361492891222
Energy: 0.015395323923142998
Energy: 0.12117896831253919
Energy: 0.015592615470072813
Energy: 0.01686155456497396
Energy: 0.11225897988351723
Energy: 0.12075816182121861
Energy: 0.015464587602003409
Energy: 0.11210104362908997
Energy: 0.12049959467165978
Energy: 0.11228447667021264
Energy: 0.12128612921709242
Energy: 0.11263886520149216
Energy: 0.015498952114953503
Energy: 0.01649526690786049
Energy: 0.11239913610531649
Energy: 0.12057611163555249

minimum gb energy = 0.015049953233179834 eV
minimum distance =  2.46787490196896 Angstroms
sigma value = 3


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

Energy: 1.376694377654412
Energy: 1.328016827245812
Energy: 1.2787048531772676
Energy: 1.2091630123884494
Energy: 1.290090514612041
Energy: 1.2854923196262231
Energy: 1.213495647541808
Energy: 1.2561927764422596
Energy: 1.2783763956080825
Energy: 1.3042485019645316
Energy: 1.2976692209006981
Energy: 1.2756708545257514
Energy: 1.3105168143501997
Energy: 1.3599789668952535
Energy: 1.2638134344019147
Energy: 1.2759724322896986
Energy: 1.2432518203341771
Energy: 1.2389042913263741
Energy: 1.2877153724829762
Energy: 1.288913501624448
Energy: 1.2603210983947721
Energy: 1.2200259148074308
Energy: 1.2894843026796736
Energy: 1.241866437595269
Energy: 1.2946278361392047
Energy: 1.3784377511160464
Energy: 1.3390360167399713
Energy: 1.257520700603022
Energy: 1.3141805671004068
Energy: 1.2865845877815636
Energy: 1.4533965913873264
Energy: 1.3039850880027144
Energy: 1.3055430512939363
Energy: 1.2195495381565666
Energy: 1.2525545964292732
Energy: 1.2857320018887166
Energy: 1.260253322309286
Energy: 1.3196923739565156
Energy: 1.300328753936847
Energy: 1.3442911791645913
Energy: 1.4245831673314082
Energy: 1.2836903802073771
Energy: 1.3731820712508485
Energy: 1.4145230084490397
Energy: 1.2791591235721143
Energy: 1.3024433891740215
Energy: 1.2389371741894462
Energy: 1.2126368939769838
Energy: 1.290827678640904
Energy: 1.2212672115095322
Energy: 1.2561802642081938
Energy: 1.2480055590905095
Energy: 1.2126865499651578
Energy: 1.2042190191274071
Energy: 1.285521205260855
Energy: 1.3122979408893516
Energy: 1.2787659239020035
Energy: 1.2028356927104757
Energy: 1.2504910791396453
Energy: 1.2073573459617624
Energy: 1.189735412131997
Energy: 1.2123975376379514
Energy: 1.2109623267238685
Energy: 1.1945595703573912
Energy: 1.232195935977714
Energy: 1.246515268929982
Energy: 1.2068549234389483
Energy: 1.267629726541464
Energy: 1.2480745569555647
Energy: 1.188859986146378
Energy: 1.1895951090440036
Energy: 1.2107525935576224
Energy: 1.2471214884524406
Energy: 1.195158624157208
Energy: 1.2069888151370376
Energy: 1.181835593181484
Energy: 1.1706426118786755
Energy: 1.222399364573618
Energy: 1.3030991432401975
Energy: 1.2086190165698014
Energy: 1.2014988599004532
Energy: 1.1956218477524159
Energy: 1.1698728163471315
Energy: 1.1696070086980461
Energy: 1.171078718182529
Energy: 1.197374831068206
Energy: 1.2217462901568958
Energy: 1.2509840689986795
Energy: 1.1922751389404078
Energy: 1.179305000888851
Energy: 1.1796381263160824
Energy: 1.2522310675857138
Energy: 1.1891242926067942
Energy: 1.2161095582948347
Energy: 1.3079729650502223
Energy: 1.1793321327976365
Energy: 1.1803005189009608
Energy: 1.2140626306417774
Energy: 1.1792576923447124
Energy: 1.1954584345582662
Energy: 1.2453564084088669
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Energy: 1.262743675429226
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Energy: 1.217393115279966
Energy: 1.2500737899872891
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Energy: 1.2543757963070268
Energy: 1.3408708022191365
Energy: 1.2619485676616369
Energy: 1.3749035631977413
Energy: 1.2941968974501907
Energy: 1.2739412697987766
Energy: 1.331146135732013
Energy: 1.2302230767431646
Energy: 1.3203382993924433
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Energy: 1.303032992890726
Energy: 1.293218922728332
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Energy: 1.2431027529912315
Energy: 1.32821737458079
Energy: 1.2972622455986844
Energy: 1.2397046984756448
Energy: 1.3074037409344423
Energy: 1.337611468029748
Energy: 1.3219973949727182
Energy: 1.312078529666034
Energy: 1.2945963452138727
Energy: 1.2113539723537199
Energy: 1.2421120345142713
Energy: 1.2841134881312801
Energy: 1.232899268003368
Energy: 1.2100526096902873
Energy: 1.365593516382202
Energy: 1.2951270785381273
Energy: 1.2736535185691902
Energy: 1.2665368161459614
Energy: 1.2806263692564506
Energy: 1.3369779094911234
Energy: 1.280942938936231
Energy: 1.316131861779209
Energy: 1.2839717846147138
Energy: 1.2122939090391898
Energy: 1.2966303646831128
Energy: 1.273268772693163
Energy: 1.2984267556965894
Energy: 1.2357724323700685
Energy: 1.2659204826314432
Energy: 1.2819972695949706
Energy: 1.2420011793881993
Energy: 1.210250336768811
Energy: 1.3495559894218196
Energy: 1.3364473508541597
Energy: 1.2630470823324775
Energy: 1.348330754360287
Energy: 1.346244130929165
Energy: 1.210186112567658
Energy: 1.3176003813675388
Energy: 1.2873625798704744
Energy: 1.2084445735589042
Energy: 1.2745682370636935
Energy: 1.2936330861504388
Energy: 1.2419467060645462
Energy: 1.2680743395541283
Energy: 1.264862887682398
Energy: 1.2108503121492673
Energy: 1.313417768415746
Energy: 1.300332724647865
Energy: 1.3126587856855607
Energy: 1.2991793697667178
Energy: 1.2232742929373646
Energy: 1.2929869494046675
Energy: 1.2568204104327734
Energy: 1.2618335414104997
Energy: 1.3328980409038074
Energy: 1.2670381549562737
Energy: 1.2533535284659565
Energy: 1.2645683169339639
Energy: 1.2353414365971411
Energy: 1.3297640553250003
Energy: 1.311842375260909
Energy: 1.3508075025306894
Energy: 1.4013347204319055
Energy: 1.2894195720826294
Energy: 1.2897670264526795
Energy: 1.2790841132803688
Energy: 1.2022166158193006
Energy: 1.21057069325049
Energy: 1.2053482597640526
Energy: 1.2623960554663005
Energy: 1.273147033185124
Energy: 1.2441171517512126
Energy: 1.2078995711323615
Energy: 1.3207085065604995
Energy: 1.2531509412245017
Energy: 1.2046560164297275
Energy: 1.2793143893191345
Energy: 1.2515864467906381
Energy: 1.2188653908142022
Energy: 1.2752669410227782
Energy: 1.2443178807916622
Energy: 1.1931994735410605
Energy: 1.1811621890083306
Energy: 1.2835823370832773
Energy: 1.2420246702483484
Energy: 1.1881540238859118
Energy: 1.2568886764685832
Energy: 1.2813916432945558
Energy: 1.1944244892249891
Energy: 1.2655684880449398
Energy: 1.197247717462178
Energy: 1.2750903520714258
Energy: 1.1629072280809114
Energy: 1.1920029620059476
Energy: 1.1675018320467712
Energy: 1.1925407338238687
Energy: 1.2424258982085663
Energy: 1.1894876394260205
Energy: 1.1945211002199514
Energy: 1.2030263395476337
Energy: 1.2347607686660196
Energy: 1.1900409117527417
Energy: 1.1932331106817022
Energy: 1.1995383975371912
Energy: 1.1688232086005377
Energy: 1.2515219571449663
Energy: 1.2099469551166642
Energy: 1.184354621400369
Energy: 1.2055104395006069
Energy: 1.1978878631609584
Energy: 1.2127496133744056
Energy: 1.208460548552175
Energy: 1.1859481088341095
Energy: 1.1847312620322281
Energy: 1.1759616862016258
Energy: 1.209787467036422
Energy: 1.2512830212216615
Energy: 1.2597781909578907
Energy: 1.2104584007078725
Energy: 1.2498656313851797
Energy: 1.219393347036113
Energy: 1.2813906138164035
Energy: 1.246882283912639
Energy: 1.2648928235251353
Energy: 1.3781451023347382
Energy: 1.2833230675905636
Energy: 1.2561084347031788
Energy: 1.2912682818822758
Energy: 1.2127410670107424
Energy: 1.2897568049844705
Energy: 1.2488021327050753
Energy: 1.2128792397618449
Energy: 1.3051154597657748
Energy: 1.2562551167959706
Energy: 1.2502327697521096
Energy: 1.3539292404009906
Energy: 1.2938878367113813
Energy: 1.2754568310773664
Energy: 1.323760123335793
Energy: 1.3068352556116456
Energy: 1.237396545929459
Energy: 1.2224304389240939
Energy: 1.2898698886673905
Energy: 1.2526076409043763
Energy: 1.2976644928646988
Energy: 1.2897366686214733
Energy: 1.3120852295262282
Energy: 1.212587773414575
Energy: 1.3587434031216772
Energy: 1.3069775593054018
Energy: 1.3536193971104706
Energy: 1.3218411153113123
Energy: 1.309033140595145
Energy: 1.20691758948334
Energy: 1.3278061647140416
Energy: 1.2978298785727929
Energy: 1.2727109000599612
Energy: 1.2108691439151424
Energy: 1.284751924788162
Energy: 1.2883940043450566
Energy: 1.2460618730377835
Energy: 1.25804169999563
Energy: 1.3416754766132846
Energy: 1.314225252518221

minimum gb energy = 1.1629072280809114 eV
minimum distance =  2.25671965087251 Angstroms
sigma value = 75


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

Energy: 1.3603870456901679
Energy: 1.2826305542722778
Energy: 1.233786140426259
Energy: 1.12367042754304
Energy: 1.3851810491146135
Energy: 1.206536457161616
Energy: 1.1643735235788384
Energy: 1.1803023317266446
Energy: 1.222620849013208
Energy: 1.312372936852945
Energy: 1.117954945164454
Energy: 1.2311625309338194
Energy: 1.4056933877576796
Energy: 1.2208952141749714
Energy: 1.4963201444660728
Energy: 1.2057883703711374
Energy: 1.1726065711115419
Energy: 1.1869260631792844
Energy: 1.2067980888704153
Energy: 1.3248891874025053
Energy: 1.2387250263086924
Energy: 1.2370039399367951
Energy: 1.239925946545794
Energy: 1.181800252959186
Energy: 1.2230181292491618
Energy: 1.6948932889909367
Energy: 1.2921920257832924
Energy: 1.2431313505041304
Energy: 1.4109914210527437
Energy: 1.2678486229202928
Energy: 1.2344020993319669
Energy: 1.2392089025739088
Energy: 1.4122133710495584
Energy: 1.2604237356378745
Energy: 1.226677788732407
Energy: 1.2438135548959381
Energy: 1.1858296067716632
Energy: 1.2007235361849204
Energy: 1.2799361528463504
Energy: 1.2731125572509199
Energy: 1.2638365970823489
Energy: 1.2701379827878947
Energy: 1.228712737983733
Energy: 1.2379728445341245
Energy: 1.197637983085142
Energy: 1.2083598302830572
Energy: 1.1892694894314655
Energy: 1.2645139077600114
Energy: 1.1870155543470344
Energy: 1.2382953961472243
Energy: 1.1283110022898515
Energy: 1.283318318116366
Energy: 1.1951121605319552
Energy: 1.1795590489689198
Energy: 1.2377557763768905
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Energy: 1.2179681882336422
Energy: 1.2109066965565916
Energy: 1.2197146957666578
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Energy: 1.2861239678560201
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Energy: 1.2508804192372351
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Energy: 1.1905908587887883
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Energy: 1.2554212199127432
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Energy: 1.2982261728050617
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Energy: 1.218342888546788
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Energy: 1.2520054782696766
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Energy: 1.1869906091636393
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Energy: 1.1996734850912285
Energy: 1.2630091458370776
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Energy: 1.3651273424183457
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Energy: 1.209548256545063
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Energy: 1.3226486185429627
Energy: 1.2556636810652066
Energy: 1.1916966271330343
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Energy: 1.2195019172464918
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Energy: 1.3287364110709237
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Energy: 1.2614538575561316
Energy: 1.4101968629289503
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Energy: 1.2484971725423515
Energy: 1.2204898412452827
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Energy: 1.2149126300585926
Energy: 1.1683076245582082
Energy: 1.188915960756205
Energy: 1.1882849909224185
Energy: 1.1390717909373396
Energy: 1.2548781818161259
Energy: 1.2187966557385046
Energy: 1.208832858815978
Energy: 1.200836013277834
Energy: 1.2101997946767733
Energy: 1.2368083686485245
Energy: 1.1907482562367249
Energy: 1.1858148874497725
Energy: 1.1791006213585178
Energy: 1.156361547796988
Energy: 1.246904016314507
Energy: 1.2383610505603475
Energy: 1.1540664151836768
Energy: 1.2428530134080737
Energy: 1.2384071852372094
Energy: 1.1403466650743437
Energy: 1.2197456669123197
Energy: 1.153801722152227
Energy: 1.1974981580881812
Energy: 1.186438771370644
Energy: 1.2173885103034345
Energy: 1.2125046759138745
Energy: 1.2171063160343984
Energy: 1.2001998415916084
Energy: 1.2359644600934985
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Energy: 1.1671770849971
Energy: 1.222831564051605
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Energy: 1.2146184776901736
Energy: 1.1882744296652858
Energy: 1.2710766763296875
Energy: 1.2434770123811933
Energy: 1.3033915762490518
Energy: 1.3493886396247121
Energy: 1.2938493734290386
Energy: 1.2786120162239616
Energy: 1.2062528607785479
Energy: 1.1734616014830017
Energy: 1.2086507897634355
Energy: 1.1523957954824577
Energy: 1.1183665531334028
Energy: 1.2873910162425186
Energy: 1.2909503120616246
Energy: 1.2225831454920506
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Energy: 1.2878766019178698
Energy: 1.252509115923601
Energy: 1.2022699854582997
Energy: 1.2862360450993382
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minimum gb energy = 1.1145938852025357 eV
minimum distance =  2.24582427486704 Angstroms
sigma value = 105


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

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Energy: 1.3238719350132062
Energy: 1.2477651696153058
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Energy: 1.1670093504195107
Energy: 1.1656206052636755
Energy: 1.3773130935417945
Energy: 1.4119974458230042
Energy: 1.3788984891174356
Energy: 1.1455749147114986
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Energy: 1.1106054320724525
Energy: 1.3913982727554008
Energy: 1.23963263279515
Energy: 1.203325326586223
Energy: 1.237730706854592
Energy: 1.1819819484814202
Energy: 1.0890502344788104
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Energy: 1.1302447641997144
Energy: 1.1767305152714418
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Energy: 1.132670845529645
Energy: 1.1813260613996552
Energy: 1.0997397036380814
Energy: 1.203130074844488
Energy: 1.2105025773768634
Energy: 1.1466318658692567
Energy: 1.1686150827508266
Energy: 1.2197937134246246
Energy: 1.1322383030959289
Energy: 1.0930575642682132
Energy: 1.2470328251455096
Energy: 1.2138200407986264
Energy: 1.1736833544084675
Energy: 1.1359228440737277
Energy: 1.1233993932151691
Energy: 1.2533897840624004
Energy: 1.1339892000306657
Energy: 1.208096086292671
Energy: 1.2637723388891475
Energy: 1.3790671080376986
Energy: 1.0535439732176268
Energy: 1.1864813499271414
Energy: 1.1555367610548788
Energy: 1.2025140414697733
Energy: 1.1431035698446204
Energy: 1.131662134240188
Energy: 1.2058936993509721
Energy: 1.1784975581024904
Energy: 1.372515536069729
Energy: 1.2409407227476406
Energy: 1.1835973477375672
Energy: 1.0890477262037328
Energy: 1.4297052770251526
Energy: 1.1984852809777558
Energy: 1.0917929934619193
Energy: 1.1313508984418739
Energy: 1.0505014312819374
Energy: 1.2143310023295097
Energy: 1.0859797338506743
Energy: 1.1525585754537666
Energy: 1.1690184930768248
Energy: 1.2558759135711408
Energy: 1.3778662034418905
Energy: 1.134759374657641
Energy: 1.1613005142866926
Energy: 1.204324219740463
Energy: 1.055236218699537

minimum gb energy = 1.0009099364029617 eV
minimum distance =  2.28849592660414 Angstroms
sigma value = 165


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

Energy: 1.3551044464961846
Energy: 1.1455914494957775
Energy: 1.1917364701267077
Energy: 1.1692931572803806
Energy: 1.199779742340898
Energy: 1.1520729013373507
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Energy: 1.191648658750784
Energy: 1.2016744679504403
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Energy: 1.141456521685549
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Energy: 1.1739963861580662
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Energy: 1.169502371729464
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Energy: 1.1570934074652621
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Energy: 1.4597413877275704
Energy: 1.220089192163689
Energy: 1.202096217123385
Energy: 1.2018946222907532
Energy: 1.1888646501134763
Energy: 1.1492284024781394
Energy: 1.1923246715455873
Energy: 1.1391220070711854
Energy: 1.1897462696303092
Energy: 1.2017947840889587
Energy: 1.199025409428496
Energy: 1.2202270917958324
Energy: 1.1393603267068126
Energy: 1.1975020543810828
Energy: 1.152122850767798
Energy: 1.1388512736244008
Energy: 1.1903286177500572
Energy: 1.1210962990094036
Energy: 1.1882505334124263
Energy: 1.2611651638824568
Energy: 1.1443331432764627
Energy: 1.2018794431985522
Energy: 1.1695124562730868
Energy: 1.1997974171753099
Energy: 1.1556129680155398
Energy: 1.1393640292640794
Energy: 1.1927659455233297
Energy: 1.141532959565902
Energy: 1.1988479821802938
Energy: 1.216240267327685
Energy: 1.1676092729210852
Energy: 1.1935269547500835
Energy: 1.2599837994043857
Energy: 1.3599520001759298
Energy: 1.0991470794911689
Energy: 1.456920286792822
Energy: 1.4800411788901064

minimum gb energy = 1.0976215285642974 eV
minimum distance =  2.21046102817688 Angstroms
sigma value = 41


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

Energy: 2.9164648631361105
Energy: 1.528054646810081
Energy: 1.5739039186907355
Energy: 1.244048202346718
Energy: 1.1282417172483974
Energy: 1.160544419145841
Energy: 1.331848836850336
Energy: 1.2125363750027112
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Energy: 1.4137231320110688
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Energy: 1.4090477886555344
Energy: 1.2630485420402882
Energy: 1.1691616800931306
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Energy: 1.130796350488826
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Energy: 1.1661142185611664
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Energy: 1.3495106652612907
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Energy: 1.4266233642524342
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Energy: 1.60734929594
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Energy: 1.4983956440601538
Energy: 1.339232654316412
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Energy: 1.3597432054087288
Energy: 1.1074700004271327
Energy: 1.1042068908919809
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Energy: 1.3349542603201052
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Energy: 1.252867529170444
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Energy: 1.5267602143803338
Energy: 1.1858588760591795
Energy: 1.396259184600862
Energy: 1.124955582044952
Energy: 1.1164311626629255
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Energy: 1.1289422662937025
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Energy: 1.1763236651198832
Energy: 1.2205595000329412
Energy: 1.1858176283688617
Energy: 1.3380686872285026
Energy: 1.496950838622428
Energy: 1.1354020784550387
Energy: 1.132804402114
Energy: 1.1441867317964909
Energy: 1.1300975912417766
Energy: 1.1443439258065051
Energy: 1.1802790298032124
Energy: 1.2529802097269718
Energy: 1.2150390701074996
Energy: 1.320702205140176
Energy: 1.308118959429165
Energy: 1.3451454601725492
Energy: 1.3225824381118827
Energy: 1.123257814204046
Energy: 1.1314469500467468
Energy: 1.1781321944829575
Energy: 1.2393310133263986
Energy: 1.1337304363098526
Energy: 1.1766688822079658
Energy: 1.3144349314857815
Energy: 1.2631808412005698
Energy: 1.197011004474319
Energy: 1.1490549070478813
Energy: 1.1237145654288831
Energy: 1.1146323797176536
Energy: 1.2392733738364012
Energy: 1.2512667286193493
Energy: 1.3102113140603853
Energy: 1.1486185635847002
Energy: 1.3035491218588335
Energy: 1.1919273274402487
Energy: 1.2644728903698697
Energy: 1.558309524270466
Energy: 1.5934997819465415

minimum gb energy = 1.0982426480669063 eV
minimum distance =  2.22552773689346 Angstroms
sigma value = 185


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

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Energy: 1.2336945824467924
Energy: 1.162069399098194
Energy: 1.1550557131359849
Energy: 1.254878201816457
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Energy: 1.1359523485760903
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Energy: 1.217943050372052
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Energy: 1.223951394174841
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Energy: 1.3876359532092977
Energy: 1.3553736436026782
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Energy: 1.3961050416444638
Energy: 1.2184700421105237
Energy: 1.2195387828818873
Energy: 1.2164501305742927
Energy: 1.2126581630418496
Energy: 1.372546494494675
Energy: 1.4189715738514372
Energy: 1.416220991988435
Energy: 1.1348064206724957
Energy: 1.1661007381063357
Energy: 1.349784942160616
Energy: 1.4586504675546619
Energy: 1.1537480500522117
Energy: 1.241010485821512
Energy: 1.1954578448271846
Energy: 1.152320233636698
Energy: 1.14794152553354
Energy: 1.134635678517075
Energy: 1.1476428813490929
Energy: 1.202828804949344
Energy: 1.3128491037003596
Energy: 1.211197123136348
Energy: 1.2750718773797571
Energy: 1.197859113712419
Energy: 1.3782283461455938
Energy: 1.4007527914124196
Energy: 1.408884737258111
Energy: 1.1479414458629482
Energy: 1.3300086263899393
Energy: 1.357209852171148
Energy: 1.260932648308178
Energy: 1.2678977514246366
Energy: 1.2432086897303536
Energy: 1.2669736918982897
Energy: 1.2344371329299837
Energy: 1.3446209902856707
Energy: 1.5108313885082374
Energy: 1.3326876387460784
Energy: 1.29300053043676
Energy: 1.4229098446169046
Energy: 1.4276198701034675
Energy: 1.1549507237405339
Energy: 1.2504878263546528
Energy: 1.1958941627985933
Energy: 1.344937355018559
Energy: 1.2335022721374924
Energy: 1.2837268781009852
Energy: 1.2337757688778055

minimum gb energy = 1.1177363238008065 eV
minimum distance =  2.21454701180773 Angstroms
sigma value = 33


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

Energy: 1.5578558611635964
Energy: 1.2720660336371998
Energy: 1.24071887962542
Energy: 1.1781693772893496
Energy: 1.2639721303845863
Energy: 1.3576237795196848
Energy: 1.3566959243060392
Energy: 1.256062252437635
Energy: 1.2419322301367488
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Energy: 1.185655249230862
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Energy: 1.2315567330825774
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Energy: 1.2018206544650973
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Energy: 1.2012375215101903
Energy: 1.1541414990721928
Energy: 1.1810080180022338
Energy: 1.124505274311939
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Energy: 1.2433841136064312
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Energy: 1.1902908756604926
Energy: 1.1771349438727146
Energy: 1.1737820136379338
Energy: 1.180945422023012
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Energy: 1.2304711905765067
Energy: 1.1319999801010527
Energy: 1.2321322252887994
Energy: 1.2032327694425502
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Energy: 1.2674808183273005
Energy: 1.3569251663675448
Energy: 1.2645194636513912
Energy: 1.2671476937903015
Energy: 1.279754201919597

minimum gb energy = 1.0819668765697141 eV
minimum distance =  2.25283156342039 Angstroms
sigma value = 219


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

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Energy: 1.0879607185435527
Energy: 1.0479224434482524
Energy: 1.0479687136780553
Energy: 1.0734327479701082
Energy: 1.0952807868369383

minimum gb energy = 1.0479224434482524 eV
minimum distance =  2.32245462997225 Angstroms
sigma value = 15


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

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Energy: 1.3178233003992816
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minimum gb energy = 1.2467505692713758 eV
minimum distance =  2.21718790938867 Angstroms
sigma value = 293


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

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Energy: 1.3157661181472022
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Energy: 1.3177249664523945
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Energy: 1.3330140450614425
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Energy: 1.285152114070541
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Energy: 1.3109861076502576
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Energy: 1.4482874185312393
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Energy: 1.2503857775259397
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Energy: 1.4315321954363307
Energy: 1.3559412239805062
Energy: 1.3249226866197017
Energy: 1.3431003080933324
Energy: 1.3880282398531196
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Energy: 1.4134801429221509
Energy: 1.4747910441303755
Energy: 1.4277585131250408
Energy: 1.314818448130371
Energy: 1.4714381735815216
Energy: 1.3728006837812166
Energy: 1.3537461029827986
Energy: 1.3437502820364313
Energy: 1.3414623138607875
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Energy: 1.4144858327066963
Energy: 1.4149299420083956
Energy: 1.2776883554082092
Energy: 1.3489803963698053
Energy: 1.3232568282177735
Energy: 1.4142238070743203
Energy: 1.30021726498849
Energy: 1.3835497320030699
Energy: 1.388569734454188
Energy: 1.3436819837849079
Energy: 1.3388396778077827
Energy: 1.4086551761798172
Energy: 1.2949592013688427
Energy: 1.4079477609463875
Energy: 1.4446877645373726
Energy: 1.415435393757455
Energy: 1.3015826342663834
Energy: 1.3146793935727032
Energy: 1.3304015941630307
Energy: 1.314184030715796
Energy: 1.298391471034706
Energy: 1.2625963542988947
Energy: 1.268293407651309
Energy: 1.3481383250617962
Energy: 1.3150997189508034
Energy: 1.3938810201569891
Energy: 1.3939382562060312
Energy: 1.5382250995981106
Energy: 1.2509973921478088
Energy: 1.2924526770901357
Energy: 1.2510678588093969
Energy: 1.2897305938023804
Energy: 1.2777668498431394
Energy: 1.33345937739405
Energy: 1.3241160885121632
Energy: 1.4146050605208682
Energy: 1.4451092559579868
Energy: 1.5239436611761485
Energy: 1.3805735473298308
Energy: 1.2512208698608234
Energy: 1.2507765918516562
Energy: 1.2506073578708143
Energy: 1.2778773823844956
Energy: 1.325331053724464
Energy: 1.3194303143957622
Energy: 1.4133402220475022
Energy: 1.4746142707638066
Energy: 1.2928433702047006
Energy: 1.3102182359057841
Energy: 1.3037719295509789
Energy: 1.2505792399453113
Energy: 1.3040379553463057
Energy: 1.267429641915046
Energy: 1.2781573037707097
Energy: 1.2546644176469135
Energy: 1.3168382979495226
Energy: 1.3093485813406256

minimum gb energy = 1.240534561188904 eV
minimum distance =  2.22465839153337 Angstroms
sigma value = 293


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

Energy: 1.7303985005823814
Energy: 1.0705475556150046
Energy: 1.3499319519229127
Energy: 1.349979896489307
Energy: 1.2503520592432686
Energy: 1.286609249071436
Energy: 1.1698418187433455
Energy: 1.1691415806091356
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Energy: 1.1693246343761499
Energy: 1.2494211760724714
Energy: 1.3863124320849773
Energy: 1.2495623200290682
Energy: 1.349943540250238
Energy: 1.3536615259067253
Energy: 1.2592264229805517
Energy: 1.266238348546056
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Energy: 1.169700310213059
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Energy: 1.0715148337647458
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Energy: 1.1685792536333461
Energy: 1.1671475403013254
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Energy: 1.2850922116258536
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Energy: 1.3298555711119602
Energy: 1.2500355273134913
Energy: 1.1660059999264356
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Energy: 1.1702308730589368
Energy: 1.250386075381186
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Energy: 1.2863813742212071
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Energy: 1.1697361747274284
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Energy: 1.1711915293254835
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Energy: 1.2502498913447508
Energy: 1.4112873830968362
Energy: 1.411963855278475
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Energy: 1.2508321721264057
Energy: 1.166229848993018
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Energy: 1.286402721858352
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Energy: 1.1697613067654262
Energy: 1.2853487289556527
Energy: 1.0690142379890484
Energy: 1.1696595120111022
Energy: 1.169860509676492
Energy: 1.0719730573574868
Energy: 1.0706372455833104
Energy: 1.2632373414902645
Energy: 1.387971718340213
Energy: 1.1503059435898009
Energy: 1.2848440620922832
Energy: 1.249655784290158
Energy: 1.1689476123342246
Energy: 1.1706759319620326
Energy: 1.2497743726768678
Energy: 1.412617783731217
Energy: 1.0718792338750713
Energy: 1.1686637374980615
Energy: 1.3502153011399
Energy: 1.3518509958129896
Energy: 1.3501571155684513
Energy: 1.25991037047292
Energy: 1.2667710904901919
Energy: 1.2654037705462835
Energy: 1.2497645984818615
Energy: 1.169471538768027
Energy: 1.2513406657189776
Energy: 1.2858912759824552
Energy: 1.2602568436335613
Energy: 1.354904203520171
Energy: 1.3543158208650763
Energy: 1.2615771782885323
Energy: 1.169312098215665
Energy: 1.1680718248074713
Energy: 1.1688016900460312
Energy: 1.256630075897605
Energy: 1.2505962339082815
Energy: 1.25053272921883
Energy: 1.1695141449581563
Energy: 1.2612759983014616
Energy: 1.3535209788922462
Energy: 1.1700808143740216
Energy: 1.2502335343590223
Energy: 1.282743772705442
Energy: 1.1689418137064223
Energy: 1.1706258675817371
Energy: 1.1701755463099357
Energy: 1.072958282334416
Energy: 1.4115126193568488
Energy: 1.1688963674959185
Energy: 1.2608996796371108
Energy: 1.2404855801198882
Energy: 1.2501148376306253
Energy: 1.1660502751273019
Energy: 1.1683898432316098
Energy: 1.2861062010222046
Energy: 1.2502707530252273
Energy: 1.0718851583074662
Energy: 1.1700169150063164
Energy: 1.286332061513231
Energy: 1.1702744110752754
Energy: 1.3879349612471088
Energy: 1.3496801656973114
Energy: 1.260916778021765
Energy: 1.1707623046377467
Energy: 1.17124765062685
Energy: 1.172416578335834
Energy: 1.2499537841314392
Energy: 1.384449199758996
Energy: 1.0713129620310293
Energy: 1.2602384851360677
Energy: 1.3527979502676248
Energy: 1.3556859459307407
Energy: 1.1696322745015468
Energy: 1.1685997262038348
Energy: 1.1697470412880002
Energy: 1.25838061963005
Energy: 1.2605540831981787
Energy: 1.2507596542524682

minimum gb energy = 1.0680216574880759 eV
minimum distance =  2.29868790556395 Angstroms
sigma value = 15


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

Energy: 1.534107672229647
Energy: 1.2368647690031351
Energy: 1.26621577391028
Energy: 1.2693412855555843
Energy: 1.2292714921529324
Energy: 1.5294716094509369
Energy: 1.214169458245312
Energy: 1.2186483657500082
Energy: 1.266543495161421
Energy: 1.237659034975037
Energy: 1.3650989350874498
Energy: 1.3894484830591292
Energy: 1.397051750651206
Energy: 1.22966854171502
Energy: 1.2093531653227785
Energy: 1.2546173949213557
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Energy: 1.2177067516725788
Energy: 1.3624462341226913
Energy: 1.3120025609504178
Energy: 1.3866378436005211
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Energy: 1.3060528602827526
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Energy: 1.2206848288615935
Energy: 1.3499987497341175
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Energy: 1.2306335926459915
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Energy: 1.3126633683866225
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Energy: 1.2330301893706488
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Energy: 1.2318790390493837
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Energy: 1.3096713647866272
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Energy: 1.2835064667945844
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Energy: 1.378176358357209
Energy: 1.3312660782732104
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Energy: 1.3036460290670253
Energy: 1.2674407374523462
Energy: 1.2595556519729503
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Energy: 1.3581103804284393
Energy: 1.3814357613312984
Energy: 1.351626385639437
Energy: 1.2643465186098775
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Energy: 1.292659135662271
Energy: 1.264317458377412
Energy: 1.238130191040719
Energy: 1.249044670135315
Energy: 1.294591293443981
Energy: 1.489838430342434
Energy: 1.3810277529599095
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Energy: 1.2878665544708383
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Energy: 1.2611720592115978
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Energy: 1.2289176759286935
Energy: 1.2658377815502238
Energy: 1.288110097233855
Energy: 1.1677680212785513
Energy: 1.2558957713784893
Energy: 1.2420521257238066
Energy: 1.2464407066127867
Energy: 1.267924623533498
Energy: 1.3610749276500358
Energy: 1.2924051272470116
Energy: 1.5774250594269912
Energy: 1.3915014166542023
Energy: 1.391773802369788
Energy: 1.2052818328899186
Energy: 1.2611364891567924
Energy: 1.2479929909842167
Energy: 1.2411795889653163
Energy: 1.2417771570377532
Energy: 1.3415546260754105
Energy: 1.3897104132381681
Energy: 1.527700826007071
Energy: 1.3133912937689856
Energy: 1.260339553870899
Energy: 1.2518321895014157
Energy: 1.2578148143182064
Energy: 1.2934487510546369
Energy: 1.2474266211100817
Energy: 1.249669633551446
Energy: 1.3841619741246014
Energy: 1.3862917912490946
Energy: 1.437200847558336
Energy: 1.3913193318190635
Energy: 1.3024102056711007
Energy: 1.2584434669887894
Energy: 1.2408636021652102
Energy: 1.4178073309414614
Energy: 1.3121274316455451
Energy: 1.287599478434522
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Energy: 1.2338753683781911
Energy: 1.3431041826058756
Energy: 1.2333259080294723
Energy: 1.2373204484583182
Energy: 1.2540487106165215
Energy: 1.240991493845752
Energy: 1.2700568807108634
Energy: 1.27551887910957
Energy: 1.290256078387568
Energy: 1.2898134167367958
Energy: 1.336886144736778
Energy: 1.35200057141053
Energy: 1.400799694635013
Energy: 1.4334257379214632
Energy: 1.3873776082937053
Energy: 1.2437754703335424
Energy: 1.2786007843395886
Energy: 1.3324876126756475
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Energy: 1.311730144264045
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Energy: 1.2912530937085853
Energy: 1.3523675883402606
Energy: 1.2892902341765478
Energy: 1.3854964396925114
Energy: 1.2816231681434618
Energy: 1.2734430228587248
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Energy: 1.283576395659272
Energy: 1.2792353388006703
Energy: 1.3089866038341416
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Energy: 1.2759068185826092
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Energy: 1.272528899292138
Energy: 1.2759250237030495
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Energy: 1.3351084835032094
Energy: 1.3691560071533284
Energy: 1.3176066258878836
Energy: 1.2775891779340196
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Energy: 1.3058877516520166
Energy: 1.3402784871974176
Energy: 1.316259009346602
Energy: 1.319395790656325
Energy: 1.3345613992844494
Energy: 1.2723434621988505
Energy: 1.2457004065101898
Energy: 1.397881523471161
Energy: 1.317245727789354
Energy: 1.3450929547708799
Energy: 1.3159254497680204
Energy: 1.2980960072294452
Energy: 1.3234233243818856
Energy: 1.3207673535324644
Energy: 1.3099096460809194
Energy: 1.421670042420736
Energy: 1.3965445028220187
Energy: 1.2520664983920264
Energy: 1.2442668358051088
Energy: 1.2930904183064007
Energy: 1.394807619322237
Energy: 1.2194030658652566
Energy: 1.235433524900442
Energy: 1.246643790602265
Energy: 1.3458633487824594
Energy: 1.342880385483506
Energy: 1.2457864571546506
Energy: 1.2650207499087376
Energy: 1.258135575088615
Energy: 1.3649296886541942
Energy: 1.389237771974379
Energy: 1.2569353648517512
Energy: 1.388990312234416
Energy: 1.2785893413771126
Energy: 1.2149172481247112
Energy: 1.2169796145270897
Energy: 1.2645128409696762
Energy: 1.2477228357030854
Energy: 1.2403418025586197
Energy: 1.346796986928312
Energy: 1.3131664666759257
Energy: 1.4422683694255047
Energy: 1.364320235170232
Energy: 1.2870118705939964
Energy: 1.2169980168465242
Energy: 1.2163607494742985
Energy: 1.2558685246363466
Energy: 1.2502287912516703
Energy: 1.2205566192730133
Energy: 1.3968472142789468
Energy: 1.6412911824807985
Energy: 1.3819355975274334
Energy: 1.3678004561020922
Energy: 1.24573943112765
Energy: 1.2252494181357005
Energy: 1.219659380517983
Energy: 1.2727769997622755
Energy: 1.2499920470826693
Energy: 1.2472038613244154
Energy: 1.2023746243338382
Energy: 1.2450221903234129
Energy: 1.3293329604613042
Energy: 1.2127037542092143
Energy: 1.3612339955749688
Energy: 1.3964610902385621
Energy: 1.2516556318044303
Energy: 1.2697761427470753
Energy: 1.23128892101906
Energy: 1.230860038838181
Energy: 1.2326252658663395
Energy: 1.3703094371941231
Energy: 1.3250215294119847
Energy: 1.6386386937075457
Energy: 1.3006231243695567
Energy: 1.299620364284417
Energy: 1.2138224814373297
Energy: 1.2707146920875119
Energy: 1.303005536333087
Energy: 1.2309427367685142
Energy: 1.2306470483061076
Energy: 1.3736761494807586
Energy: 1.3591198324822842
Energy: 1.4222645388502344
Energy: 1.3070345558586496
Energy: 1.3012863947945215
Energy: 1.2252226753507955
Energy: 1.3080363630401084
Energy: 1.2708346988177426
Energy: 1.3383905510109435
Energy: 1.3863556115995854
Energy: 1.3863869143452774
Energy: 1.3462526659701861
Energy: 1.415134987776481
Energy: 1.2026655239704425
Energy: 1.2430868595750548
Energy: 1.229708389510936
Energy: 1.280690995576426
Energy: 1.3741446830757236
Energy: 1.3762567240597356
Energy: 1.383360183737383
Energy: 1.2300417195382631
Energy: 1.2322216148409977
Energy: 1.2974828333890776
Energy: 1.2805803186391926
Energy: 1.4138304296532607
Energy: 1.371567671979354
Energy: 1.2692312205894598
Energy: 1.3306738472052415
Energy: 1.2705094121590255
Energy: 1.3704290096724736
Energy: 1.413819000557917
Energy: 1.2936400945294046
Energy: 1.3167957337727818
Energy: 1.232706700888262
Energy: 1.2630540854203682
Energy: 1.363495286015387
Energy: 1.293132613320904
Energy: 1.3750175789489691
Energy: 1.3756215969453236
Energy: 1.3663406630661978
Energy: 1.3731307668620856
Energy: 1.2760518116346264
Energy: 1.2810207762347716
Energy: 1.236220865634776
Energy: 1.2119162522101063
Energy: 1.3803724164377356
Energy: 1.3343117877267212
Energy: 1.2927176445453143
Energy: 1.269816227182329
Energy: 1.2306174188987247
Energy: 1.2316163371079736
Energy: 1.3696250462225934
Energy: 1.254535287220552
Energy: 1.3741712936075328
Energy: 1.3473200183940566
Energy: 1.2291275415073841
Energy: 1.2310652407504492
Energy: 1.3240866585756406
Energy: 1.3008613730895047
Energy: 1.3002410604175412
Energy: 1.279493987768082
Energy: 1.27682020769734
Energy: 1.4149676065872563
Energy: 1.326616158577091
Energy: 1.3682012291591035
Energy: 1.2513477990207968
Energy: 1.2285724180227933
Energy: 1.2300978422433402
Energy: 1.269119005865288
Energy: 1.2483700277372463
Energy: 1.2143235344320558
Energy: 1.27402267842045
Energy: 1.3237918949293996
Energy: 1.3770837815466446
Energy: 1.2682017514356447
Energy: 1.2927420376246161
Energy: 1.250979904142919
Energy: 1.229249902681054
Energy: 1.256555130679063
Energy: 1.3967556300733803
Energy: 1.2462695763740828
Energy: 1.2655698001738123
Energy: 1.2534657695970788

minimum gb energy = 1.1677680212785513 eV
minimum distance =  2.26501634696703 Angstroms
sigma value = 437


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

Energy: 1.3585464812883425
Energy: 1.1409361687468753
Energy: 1.146191405989845
Energy: 1.2239431398198124
Energy: 1.212512422826936
Energy: 1.1946081282931857
Energy: 1.2422689747224465
Energy: 1.1453919308296403
Energy: 1.1453070994269758
Energy: 1.1406069828716263
Energy: 1.436344888509804
Energy: 1.2346720455891877
Energy: 1.2400712179270081
Energy: 1.2126219870567394
Energy: 1.1970097945686717
Energy: 1.146440226917277
Energy: 1.1884727728296636
Energy: 1.2274352584100703
Energy: 1.2018372668542348
Energy: 1.1457966490931923
Energy: 1.4182153103480104
Energy: 1.228333920533352
Energy: 1.3987713238263566
Energy: 1.4210957449321417
Energy: 1.1886422893726092
Energy: 1.1807036110318465
Energy: 1.2086475743755973
Energy: 1.178805049696353
Energy: 1.2298929868016364
Energy: 1.212859234430366
Energy: 1.239908540028483
Energy: 1.1966646981110671
Energy: 1.1832981781570413
Energy: 1.2061378119845476
Energy: 1.227836912376468
Energy: 1.1804177752154068
Energy: 1.1541687441930875
Energy: 1.1536077098839508
Energy: 1.2594466057103328
Energy: 1.2585996465479097
Energy: 1.2344494134328032
Energy: 1.1389861121554095
Energy: 1.169497504704343
Energy: 1.1707845988188177
Energy: 1.1710642802129643
Energy: 1.2104759254980157
Energy: 1.2400051766543132
Energy: 1.1461717586581863
Energy: 1.4204219350051548
Energy: 1.2355604750048779
Energy: 1.2304155238675216
Energy: 1.1872703583160789
Energy: 1.2279705932532796
Energy: 1.4223577229027569
Energy: 1.2484268158932914
Energy: 1.1453832299424336
Energy: 1.1784517678485324
Energy: 1.17931487158104
Energy: 1.4166393327653684
Energy: 1.2267525631362426
Energy: 1.4457173382182986
Energy: 1.1869955553458515
Energy: 1.2333596949203864
Energy: 1.2299873478763015
Energy: 1.2142526048417088
Energy: 1.186321335596976
Energy: 1.2398683900754799
Energy: 1.2409713409135041
Energy: 1.239639894259954
Energy: 1.1976237204283582
Energy: 1.2053248944088377
Energy: 1.205696249631431
Energy: 1.200289997319465
Energy: 1.172400268649526
Energy: 1.2111857183774335
Energy: 1.1538872111724658
Energy: 1.1799092134137565
Energy: 1.1784003440834776
Energy: 1.1469717572530798
Energy: 1.152037103924583
Energy: 1.4184692421609852
Energy: 1.236323076938077
Energy: 1.247298168545778
Energy: 1.2144966805297648
Energy: 1.1453655213281657
Energy: 1.1439349728783694
Energy: 1.2257046981539825
Energy: 1.1883027315272874
Energy: 1.2290299382747547
Energy: 1.1863057298880209
Energy: 1.2417668065559186
Energy: 1.2354724241138892
Energy: 1.1874552621401975
Energy: 1.2237267288284626
Energy: 1.2008156811537851
Energy: 1.2266930239664724
Energy: 1.1452788748755591
Energy: 1.1456124120666957
Energy: 1.139367747563435
Energy: 1.1472237708569901
Energy: 1.1960477404508856
Energy: 1.1678979248591714
Energy: 1.1390902471057078
Energy: 1.1441678752845894
Energy: 1.1959638906197538
Energy: 1.1776163829714383
Energy: 1.212762632066286
Energy: 1.2047642220057173
Energy: 1.21394072575838
Energy: 1.173687348195473
Energy: 1.2340257619153343
Energy: 1.1472706622445787
Energy: 1.2270832712724122
Energy: 1.239972377777161
Energy: 1.2397651791350413
Energy: 1.1457240415879608
Energy: 1.174436054552727
Energy: 1.186626498383445
Energy: 1.416806485463963
Energy: 1.2351435513153166
Energy: 1.2286936953963734
Energy: 1.1873864750236707
Energy: 1.2297848689512578
Energy: 1.4117669015897771
Energy: 1.2416463407828404
Energy: 1.1771288406226306
Energy: 1.17862037909931
Energy: 1.241749265432961
Energy: 1.2418592126205639
Energy: 1.2378231524634733
Energy: 1.2056292872641046
Energy: 1.1451680392415848
Energy: 1.1471273030119613
Energy: 1.2315658112177337
Energy: 1.213190081659046
Energy: 1.154751104494091
Energy: 1.2420440726316886
Energy: 1.1448864540943036
Energy: 1.1444177803602713
Energy: 1.1402745688291218

minimum gb energy = 1.1389861121554095 eV
minimum distance =  2.26276045565083 Angstroms
sigma value = 33