Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
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=2.850243076682091
cohesive_energy=4.290676325982293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015091687561773917
Energy: 0.01560149556070153
Energy: 0.015388838801986252
Energy: 1.5158746120868567
Energy: 0.015388838801774862
Energy: 0.015601495544213225
Energy: 0.015091687561298294
Energy: 0.015601495554439144
Energy: 0.0153888388029375
Energy: 1.5158746120868567
Energy: 0.7012074732918857
Energy: 0.015772754623711867
Energy: 0.01727094508965206
Energy: 0.6950646498346621
Energy: 0.017270945090127682
Energy: 0.01577275564033219
Energy: 0.7012074732918857
Energy: 0.015772754593721117
Energy: 0.017270945090127682
Energy: 0.6950646498341865
Energy: 0.015091687561773917
Energy: 0.015601495554439144
Energy: 0.015388838802461877
Energy: 1.5158746120866189
Energy: 0.015388838802699688
Energy: 0.015601495544213225
Energy: 0.015091687561536102
Energy: 0.01560149555840268
Energy: 0.015388838801986252
Energy: 1.515874612086381
Energy: 0.7012074732914101
Energy: 0.015772754799402162
Energy: 0.017270945090127682
Energy: 0.6950646498344244
Energy: 0.0172709450903655
Energy: 0.015772754714820328
Energy: 0.7012074732914101
Energy: 0.01577275449981176
Energy: 0.0172709450903655
Energy: 0.6950646498344244
Energy: 0.015091687561773917
Energy: 0.015601495556526608
Energy: 0.015388838801986252
Energy: 1.5158746120868567
Energy: 0.015388838802699688
Energy: 0.015601495543050587
Energy: 0.015091687561536102
Energy: 0.0156014955686286
Energy: 0.015388838802224065
Energy: 1.5158746120866189
Energy: 0.7012074732914101
Energy: 0.01577275448588654
Energy: 0.0172709450903655
Energy: 0.6950646498346621
Energy: 0.017270945090127682
Energy: 0.015772754993483264
Energy: 0.701207473291648
Energy: 0.01577275473759744
Energy: 0.0172709450903655
Energy: 0.6950646498341865
Energy: 0.015091687562011728
Energy: 0.01560149555351432
Energy: 0.015388838802224065
Energy: 1.5158746120866189
Energy: 0.015388838802461877
Energy: 0.015601495551876059
Energy: 0.015091687561536102
Energy: 0.015601495552351683
Energy: 0.01538883880314889
Energy: 1.5158746120866189

minimum gb energy = 0.015091687561298294 eV
minimum distance =  2.38922153087933 Angstroms
sigma value = 3


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

Energy: 1.2982464107394667
Energy: 1.1947916873854272
Energy: 1.2450302925638965
Energy: 1.3675104769852142
Energy: 1.2509994075897999
Energy: 1.2287737515518615
Energy: 1.2982464107371883
Energy: 1.1947916873888447
Energy: 1.2450302925638965
Energy: 1.3675104769852142
Energy: 1.261114657335633
Energy: 1.2464563852853023
Energy: 1.2800514388111401
Energy: 1.2679595939333843
Energy: 1.2460872401055836
Energy: 1.1658502709736012
Energy: 1.261114657335633
Energy: 1.2464563852830242
Energy: 1.2800514388088617
Energy: 1.2679595939322452
Energy: 1.2865786464869131
Energy: 1.2205006546986583
Energy: 1.2276478817764462
Energy: 1.179528950001024
Energy: 1.2330211019661261
Energy: 1.1725446936772341
Energy: 1.2865786464863433
Energy: 1.2205006546969495
Energy: 1.2276478817781546
Energy: 1.1795289500015933
Energy: 1.2093206515514165
Energy: 1.1566277107020841
Energy: 1.2098544317115667
Energy: 1.168477668608046
Energy: 1.2048441589184198
Energy: 1.162253410850478
Energy: 1.2093206515531252
Energy: 1.156627710696958
Energy: 1.2098544317132758
Energy: 1.1684776686086153
Energy: 1.2070780346268932
Energy: 1.2279412276492723
Energy: 1.203824081702489
Energy: 1.2214645271042865
Energy: 1.157613213317419
Energy: 1.1795454721437173
Energy: 1.2070780346257541
Energy: 1.2279412276526378
Energy: 1.203824081703628
Energy: 1.2214645271042865
Energy: 1.1995028022567629
Energy: 1.2298507480696288
Energy: 1.1809164109627943
Energy: 1.1945578635346175
Energy: 1.1641640244397615
Energy: 1.2125384102158947
Energy: 1.1995028022579024
Energy: 1.2298507480730463
Energy: 1.1809164109622248
Energy: 1.1945578635334784
Energy: 1.1932214246707902
Energy: 1.209670213594377
Energy: 1.286068725898607
Energy: 1.2307079838655386
Energy: 1.1677120810151764
Energy: 1.1866987406473009
Energy: 1.1932214246719295
Energy: 1.2096702135955162
Energy: 1.2860687258974677
Energy: 1.230707983868956
Energy: 1.163369593802436
Energy: 1.2448074526026722
Energy: 1.2498707926145758
Energy: 1.224920149425471
Energy: 1.2147762361489423
Energy: 1.3028531156647893
Energy: 1.1633695938075623
Energy: 1.2448074525998247
Energy: 1.249870792616854
Energy: 1.2249201494243318
Energy: 1.247495591912927
Energy: 1.2798455650057212
Energy: 1.2157028457404049
Energy: 1.28243046735037
Energy: 1.2352434314440006
Energy: 1.2792176040393282
Energy: 1.2474955919123574
Energy: 1.2798455650057212
Energy: 1.2157028457404049
Energy: 1.282430467351509
Energy: 1.1886376186828989
Energy: 1.2282986717682354
Energy: 1.1891526622829973
Energy: 1.2456004012747923
Energy: 1.2543969683955971
Energy: 1.270245531794708
Energy: 1.1886376186846075
Energy: 1.2282986717705136
Energy: 1.1891526624099604
Energy: 1.245600401275362
Energy: 1.1630263905655307
Energy: 1.2446080685537348
Energy: 1.2638975920419815
Energy: 1.229235846825087
Energy: 1.1689715622250818
Energy: 1.1991229335936482
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Energy: 1.2638975920453988
Energy: 1.2292358468245175
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Energy: 1.1639441003637705
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Energy: 1.1947471671626246
Energy: 1.24794175344541
Energy: 1.1952016315104155
Energy: 1.2040845348146427
Energy: 1.1639441003660487
Energy: 1.1904209421653482
Energy: 1.164248889516534
Energy: 1.2049223690885045
Energy: 1.1804530507854423
Energy: 1.2267468112603093
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Energy: 1.1804530507831639
Energy: 1.2267468112597395
Energy: 1.1748636488788742
Energy: 1.1776892052093622
Energy: 1.2048980283779738
Energy: 1.164398591898338
Energy: 1.2018875944034286
Energy: 1.2359521730676675
Energy: 1.1748636488783046
Energy: 1.1776892052099317
Energy: 1.2048980283762651
Energy: 1.1643985918977684
Energy: 1.2331155224972934
Energy: 1.1635303752668962
Energy: 1.1901009116452337
Energy: 1.196366010995298
Energy: 1.2479497580113954
Energy: 1.1944653692677456
Energy: 1.233115522499002
Energy: 1.163530375269744
Energy: 1.190100911643525
Energy: 1.196366010991311
Energy: 1.229470925490806
Energy: 1.2657715293862661
Energy: 1.2460670036220378
Energy: 1.1623327460191186
Energy: 1.223700114334347
Energy: 1.1697241041351019
Energy: 1.229470925490806
Energy: 1.2657715293874052
Energy: 1.246067003617481
Energy: 1.1623327460168404
Energy: 1.228958945364488
Energy: 1.185242911703734
Energy: 1.2333191082215385
Energy: 1.224549319256036
Energy: 1.270274825683637
Energy: 1.1715072514406102
Energy: 1.228958945363349
Energy: 1.1852429117054426
Energy: 1.233319108220969
Energy: 1.2245493192577448
Energy: 1.3080002381172986
Energy: 1.2314074632567158
Energy: 1.2702695520010765
Energy: 1.1900481507194716
Energy: 1.2883507251946804
Energy: 1.2527309791469028
Energy: 1.3080002381167286
Energy: 1.2314074632567158
Energy: 1.2702695520005067
Energy: 1.1900481507223193
Energy: 1.2317375348514188
Energy: 1.2336976598687497
Energy: 1.2507828735434179
Energy: 1.165201793536988
Energy: 1.3029495900444474
Energy: 1.2142135112312538
Energy: 1.23173753484971
Energy: 1.2336976598704583
Energy: 1.2507828735456965
Energy: 1.165201793536988
Energy: 1.229903386214667
Energy: 1.226190110897806
Energy: 1.209239622500465
Energy: 1.1934393893076287
Energy: 1.2035324758709325
Energy: 1.1693586310155557
Energy: 1.2299033862089714
Energy: 1.226190110897806
Energy: 1.2092396224993258
Energy: 1.1934393893093374
Energy: 1.2110913015101585
Energy: 1.1803187497331575
Energy: 1.1846156945542967
Energy: 1.201562147907479
Energy: 1.2124347547417964
Energy: 1.1632936242316554
Energy: 1.2110913015095892
Energy: 1.1803187497320184
Energy: 1.1846156945531574
Energy: 1.2015621479057699
Energy: 1.1743757279100853
Energy: 1.2223126234504493
Energy: 1.2337822102316431
Energy: 1.2213445246292618
Energy: 1.1826058597384956
Energy: 1.1911440373061402
Energy: 1.1743757279112246
Energy: 1.2223126234481712
Energy: 1.2337822102287952
Energy: 1.2213445246304009
Energy: 1.225166295094539
Energy: 1.2096228875070145
Energy: 1.1558411255243337
Energy: 1.1880536221998583
Energy: 1.1624972262176008
Energy: 1.2043365128594263
Energy: 1.2251662950934
Energy: 1.2096228875053057
Energy: 1.1558411255237642
Energy: 1.1880536222044147
Energy: 1.2261184472870903
Energy: 1.2271728184643664
Energy: 1.2222523578597597
Energy: 1.2867543764191458
Energy: 1.171127342231632
Energy: 1.2285574883375552
Energy: 1.226118447285951
Energy: 1.2271728184655055
Energy: 1.2222523578591897
Energy: 1.2867543764185765
Energy: 1.2680938468902652
Energy: 1.2700176126290876
Energy: 1.1896671638139262
Energy: 1.2411974371962171
Energy: 1.1690562224210517
Energy: 1.2446963369611586
Energy: 1.2680938468902652
Energy: 1.2700176126307965
Energy: 1.1896671638167742
Energy: 1.2411974371962171
Energy: 1.3134490839603479
Energy: 1.2509924905223266
Energy: 1.1785966386941527
Energy: 1.3366808821586724
Energy: 1.1787544984566365
Energy: 1.2450302925656056
Energy: 1.313449083959778
Energy: 1.250992490520618
Energy: 1.1785966386958613
Energy: 1.3366808821581027
Energy: 1.2679595939316755
Energy: 1.2460872401044445
Energy: 1.165850270974171
Energy: 1.261114657337911
Energy: 1.2464563852853023
Energy: 1.2800514388185447
Energy: 1.2679595939328148
Energy: 1.2460872401038747
Energy: 1.1658502709718928
Energy: 1.261114657335633
Energy: 1.2261184472853817
Energy: 1.2330211019627086
Energy: 1.1725446936806516
Energy: 1.2865786464869131
Energy: 1.220500654700367
Energy: 1.2276478817775853
Energy: 1.2261184472865208
Energy: 1.233021101963848
Energy: 1.172544693678943
Energy: 1.2865786464869131
Energy: 1.1684776686086153
Energy: 1.204844158919559
Energy: 1.1832082244552615
Energy: 1.2093206515508472
Energy: 1.1566277106998057
Energy: 1.2098544317138453
Energy: 1.168477668607476
Energy: 1.2048441589150025
Energy: 1.183208224453553
Energy: 1.2093206515531252

minimum gb energy = 1.1558411255237642 eV
minimum distance =  2.23852348929286 Angstroms
sigma value = 75


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

Energy: 1.5063063938642307
Energy: 1.2552095646037154
Energy: 1.2323861729777956
Energy: 1.478314463984451
Energy: 1.2192777474522007
Energy: 1.4154419963783893
Energy: 1.506306393864787
Energy: 1.2552095646028816
Energy: 1.2323861729775176
Energy: 1.4783144639841732
Energy: 1.2041043584679931
Energy: 1.2070973168187817
Energy: 1.1983362563706368
Energy: 1.3445997682195403
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Energy: 1.3341854318846162
Energy: 1.2041043584668811
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Energy: 1.2508792447393209
Energy: 1.2732449123004441
Energy: 1.2307782497042619
Energy: 1.200882616241992
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Energy: 1.2732259431723008
Energy: 1.2073932458587933
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Energy: 1.193367552030497
Energy: 1.175641160134261
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Energy: 1.2224621951969084
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Energy: 1.1792345514697204
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Energy: 1.1950292863627767
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Energy: 1.2322344977982822
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Energy: 1.1979234431841643
Energy: 1.1997051532736447
Energy: 1.2685192416142201
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Energy: 1.2322344977982822
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Energy: 1.3437375352768028
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Energy: 1.3252962977752436
Energy: 1.2523491637581359
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Energy: 1.3399122528300336
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Energy: 1.2010632427110417
Energy: 1.274218305016573
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Energy: 1.328725244494745
Energy: 1.175229789775038
Energy: 1.242092566057187
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Energy: 1.4485852071833962
Energy: 1.3612823869197277
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minimum gb energy = 1.1606738093221576 eV
minimum distance =  2.19666286716742 Angstroms
sigma value = 105


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

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Energy: 1.1852571915113157
Energy: 1.2729758700839187
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Energy: 1.2603042105406155
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Energy: 1.4158683682314004
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Energy: 1.2259762109863601
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Energy: 1.2981689522825033
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Energy: 1.229271061349307
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Energy: 1.2160413547231463
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Energy: 1.2259851700476485
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Energy: 1.2166859060310642
Energy: 1.216041354722833
Energy: 1.0984428411179166
Energy: 1.399643975219654
Energy: 1.225985170048589
Energy: 1.2731916881768686
Energy: 1.2275789418033585
Energy: 1.2069755840453837
Energy: 1.2023512718915705
Energy: 1.3132277711838576
Energy: 1.1736324763487533
Energy: 1.2731916881768686
Energy: 1.2275789418027316
Energy: 1.20697558404507
Energy: 1.2023512718918838
Energy: 1.2804466506119871
Energy: 1.2238749487450844
Energy: 1.4627453831691875
Energy: 1.3022006206587065
Energy: 1.1866287472773476
Energy: 1.2551220792822328
Energy: 1.2804466506126142
Energy: 1.2238749487447709
Energy: 1.4627453831701283
Energy: 1.3022006206587065
Energy: 1.2615695672848568
Energy: 1.1235643165679523
Energy: 1.3142548902653919
Energy: 1.1311098413153617
Energy: 1.298154760253424
Energy: 1.2049102183902936
Energy: 1.2615695672854839
Energy: 1.1235643165676388
Energy: 1.3142548902663327
Energy: 1.1311098413150766
Energy: 1.0625942697376587
Energy: 1.2289858353801562
Energy: 1.1548448666401243
Energy: 1.2260004914170373
Energy: 1.3990002769717438
Energy: 1.0992356620778656
Energy: 1.0625942697367181
Energy: 1.2289858353792156
Energy: 1.154844866639811
Energy: 1.2260004914167235
Energy: 1.2364579669953313
Energy: 1.1658467233526202
Energy: 1.1848000176467803
Energy: 1.1689502905136722
Energy: 1.2161045378282753
Energy: 1.2171932228098417
Energy: 1.2364579669956448
Energy: 1.1658467233529335
Energy: 1.1848000176470936
Energy: 1.168950290513045
Energy: 1.2157262633824544
Energy: 1.2678882179226627
Energy: 1.240411598818103
Energy: 1.3144878288652202
Energy: 1.185388115112248
Energy: 1.313831146048225
Energy: 1.2157262633830814
Energy: 1.267888217922976
Energy: 1.2404115988174758
Energy: 1.3144878288655337

minimum gb energy = 1.0625942697367181 eV
minimum distance =  2.2189686989499 Angstroms
sigma value = 165


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

Energy: 1.2344185264079364
Energy: 1.345100977902603
Energy: 1.168218329705485
Energy: 1.5467078826024268
Energy: 1.1682024256818633
Energy: 1.3451091879725818
Energy: 1.2344185264090128
Energy: 1.3451009779036796
Energy: 1.168218329705485
Energy: 1.5467078826024268
Energy: 1.176533440399956
Energy: 1.193566681200421
Energy: 1.1679411957399235
Energy: 1.199587909484878
Energy: 1.1528831421601065
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Energy: 1.176533440399956
Energy: 1.193566681200421
Energy: 1.1679411957399235
Energy: 1.199587909484878
Energy: 1.1772520591566054
Energy: 1.3585315229394395
Energy: 1.2417227967033364
Energy: 1.1881701258846704
Energy: 1.1838739266547407
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Energy: 1.1875011165712461
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Energy: 1.1775099155721052
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Energy: 1.177535599891219
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Energy: 1.2005563357731797
Energy: 1.1681846492459105
Energy: 1.214973334697972
Energy: 1.1875708208768663
Energy: 1.1775355998922956
Energy: 1.1528176520168298
Energy: 1.2005563357731797
Energy: 1.1928867136984427
Energy: 1.1752489224709082
Energy: 1.1754441384701892
Energy: 1.1869030961056348
Energy: 1.1680515683519777
Energy: 1.1752142906025407
Energy: 1.1928867136984427
Energy: 1.1752489224709082
Energy: 1.1754441384701892
Energy: 1.1869030961056348
Energy: 1.1828649669485425
Energy: 1.1919438314572863
Energy: 1.1937414283570071
Energy: 1.3582121529348068
Energy: 1.184024320401977
Energy: 1.1782901881344705
Energy: 1.1828649669485425
Energy: 1.1919438314572863
Energy: 1.1937414283570071
Energy: 1.358212152935883
Energy: 1.177527294124013
Energy: 1.1932780443718538
Energy: 1.1953872590967178
Energy: 1.18745671420251
Energy: 1.1528315802112
Energy: 1.177702029314244
Energy: 1.1775272941250892
Energy: 1.1932780443729303
Energy: 1.1953872590967178
Energy: 1.1874567142035868
Energy: 1.1881501142906903
Energy: 1.241722796704413
Energy: 1.358550831525375
Energy: 1.1772555344118882
Energy: 1.2607823389444537
Energy: 1.1838703790485023
Energy: 1.1881501142906903
Energy: 1.2417227967054891
Energy: 1.358550831525375
Energy: 1.1772555344118882
Energy: 1.1995845543027623
Energy: 1.1680068276328113
Energy: 1.1935676812535023
Energy: 1.176574929503545
Energy: 1.1779539884805503
Energy: 1.1528631419008344
Energy: 1.1995845543027623
Energy: 1.1680068276338877
Energy: 1.1935676812535023
Energy: 1.1765749295024686
Energy: 1.2395069492950601
Energy: 1.1682024256807868
Energy: 1.3451091879725818
Energy: 1.2344185264090128
Energy: 1.345100977902603
Energy: 1.1682183297065611
Energy: 1.2395069492875253
Energy: 1.1682024256807868
Energy: 1.3451091879725818
Energy: 1.2344185264090128

minimum gb energy = 1.1528120859654376 eV
minimum distance =  2.23216874323745 Angstroms
sigma value = 41


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

Energy: 1.220238613313488
Energy: 1.1912711156789009
Energy: 1.0835181241445315
Energy: 1.6306615340831205
Energy: 1.062665103968352
Energy: 1.1582562399762584
Energy: 1.2202386133164114
Energy: 1.1912711156797362
Energy: 1.0835181241436962
Energy: 1.1727252047765604
Energy: 1.1237478456034642
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Energy: 1.1097481931478714
Energy: 1.1192941280485673
Energy: 1.0841008240444023
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Energy: 1.1283302152486867
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Energy: 1.101986495845586
Energy: 1.0830595883224177
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Energy: 1.064264715704218
Energy: 1.1629782773438626
Energy: 1.1208925572083095
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Energy: 1.1364059362696655
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Energy: 1.11089663788671
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Energy: 1.10786743450407
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Energy: 1.1291031500641813
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Energy: 1.1067300451148046
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Energy: 1.3706534586241075
Energy: 1.0646830226526223
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Energy: 1.3706534586253603
Energy: 1.0646830226496988
Energy: 1.2860859419325923
Energy: 1.0979289673040251
Energy: 1.2887877967895525
Energy: 1.1104716240104324
Energy: 1.1206774131449053
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Energy: 1.1013011295563564
Energy: 1.0979289673056956
Energy: 1.288787796787882
Energy: 1.1104716240133559
Energy: 1.1206774131415644
Energy: 1.1261388655453095
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Energy: 1.1847753092952589
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Energy: 1.1261388655461446
Energy: 1.1273169690032845
Energy: 1.1847753092952589
Energy: 1.1082688242925427
Energy: 1.1621891690875237
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Energy: 1.0838113285909983
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Energy: 1.0642255085942358
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Energy: 1.0838113285939217
Energy: 1.104579844099732
Energy: 1.1068237914227812
Energy: 1.1922019350950575
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Energy: 1.1068237914252868
Energy: 1.1922019350925517
Energy: 1.0656430677176572
Energy: 1.1011550434097912
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Energy: 1.163406019020024
Energy: 1.1106709451404981
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Energy: 1.163406019020024
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Energy: 1.1909132777023426
Energy: 1.1277491153165509
Energy: 1.1282456493371353
Energy: 1.1950595116944593
Energy: 1.1091411386042844
Energy: 1.082183605854155
Energy: 1.1909132777023426
Energy: 1.1277491153203096
Energy: 1.1282456493367174
Energy: 1.1950595116952945
Energy: 1.0647434985151225
Energy: 1.1644681992858097
Energy: 1.1077089818111703
Energy: 1.1020201303923978
Energy: 1.083313824030332
Energy: 1.134813141056081
Energy: 1.0647434985155402
Energy: 1.1644681992870625
Energy: 1.1077089818107526
Energy: 1.1020201303915627
Energy: 1.0624381957601916
Energy: 1.1075328603564945
Energy: 1.1066847256548082
Energy: 1.1363048117251244
Energy: 1.0835744843499446
Energy: 1.2729611009354433
Energy: 1.0624381957597737
Energy: 1.1075328603564945
Energy: 1.1066847256552257
Energy: 1.1363048117238714
Energy: 1.0845222793166143
Energy: 1.1923294160700553
Energy: 1.1082515243969744
Energy: 1.2444817144383584
Energy: 1.108631311154964
Energy: 1.1657667076390419
Energy: 1.0845222793145262
Energy: 1.192329416072979
Energy: 1.1082515243982274
Energy: 1.2444817144371054
Energy: 1.1069125623606169
Energy: 1.1952829907114761
Energy: 1.1280146147422503
Energy: 1.1261865806777611
Energy: 1.1967711784925932
Energy: 1.082238393814365
Energy: 1.1069125623631226
Energy: 1.1952829907143998
Energy: 1.1280146147418326
Energy: 1.1261865806802671
Energy: 1.1722630751199732
Energy: 1.0648367146404896
Energy: 1.1630023201484618
Energy: 1.1063925882992123
Energy: 1.102329259989151
Energy: 1.1451483971898155
Energy: 1.172263075122479
Energy: 1.0648367146404896
Energy: 1.1630023201522206
Energy: 1.1063925883008827
Energy: 1.1273317066249067
Energy: 1.110593026771326
Energy: 1.108414047148243
Energy: 1.1056718413581172
Energy: 1.136265155709056
Energy: 1.1332104546940576
Energy: 1.127331706629083
Energy: 1.1105930267721613
Energy: 1.108414047147028
Energy: 1.1056718413564466
Energy: 1.1703010654278814
Energy: 1.108108369310036
Energy: 1.1938471241931916
Energy: 1.1068856336682134
Energy: 1.1264187132018462
Energy: 1.1140359079147057
Energy: 1.1703010654312225
Energy: 1.108108369311289
Energy: 1.1938471241948623
Energy: 1.1068856336694664

minimum gb energy = 1.0624381957597737 eV
minimum distance =  2.2880950516607 Angstroms
sigma value = 185


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

Energy: 1.173230907569318
Energy: 1.147533063757544
Energy: 1.4014836717089436
Energy: 1.6006240349825018
Energy: 1.401560763701909
Energy: 1.1476249082161385
Energy: 1.1732309075703093
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Energy: 1.401483671708448
Energy: 1.4352248247223476
Energy: 1.4759384056408842
Energy: 1.3196031360692935
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Energy: 1.1645807517072715
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Energy: 1.1875751013322127
Energy: 1.3210621875329303
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Energy: 1.1295847287005258
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Energy: 1.1875751013322127
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Energy: 1.1737004078231523
Energy: 1.186825023590609
Energy: 1.1693400191734862
Energy: 1.3521791546627442
Energy: 1.4014390131296095
Energy: 1.3895399445267096
Energy: 1.170467987449787
Energy: 1.1528200585745565
Energy: 1.1579735878165687
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Energy: 1.1704679874502828
Energy: 1.1528200585740607
Energy: 1.1646034076533023
Energy: 1.1588411378944183
Energy: 1.3185934725292863
Energy: 1.344903799842694
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Energy: 1.1646034076518152
Energy: 1.1588411378944183
Energy: 1.3185934725302781
Energy: 1.3449037998431899
Energy: 1.396204353637933
Energy: 1.4015761031906397
Energy: 1.1440214796881087
Energy: 1.493416537006458
Energy: 1.168975561538445
Energy: 1.4014836717074566
Energy: 1.39620435363942
Energy: 1.4015761031891525
Energy: 1.1440214796891004
Energy: 1.4934165370069539
Energy: 1.1645807517067757
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Energy: 1.2418220332806125
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Energy: 1.3196031360687976
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Energy: 1.1645807517072715
Energy: 1.1712414781366796
Energy: 1.2418220332801166
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Energy: 1.4015955885758917
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Energy: 1.1581551827143386
Energy: 1.1401040981998891
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Energy: 1.3895399445267096
Energy: 1.401595588575396
Energy: 1.1694163116457639
Energy: 1.158155182717313
Energy: 1.1401040982003847
Energy: 1.1739865850972555
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Energy: 1.1935343434103638
Energy: 1.3505620041290063
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Energy: 1.1649634194689833
Energy: 1.1739865850972555
Energy: 1.1657119610318978
Energy: 1.1935343434088768
Energy: 1.350562004127519
Energy: 1.3210621875334259
Energy: 1.392683658184777
Energy: 1.145354010955795
Energy: 1.1295847287015175
Energy: 1.1586250561970322
Energy: 1.1875751013337001
Energy: 1.3210621875329303
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Energy: 1.145354010955299
Energy: 1.1295847287010217
Energy: 1.193821899399642
Energy: 1.1534796435696402
Energy: 1.294180408278586
Energy: 1.147399026468565
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Energy: 1.1938218993981546
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Energy: 1.294180408278586
Energy: 1.1473990264705478
Energy: 1.1693894792012816
Energy: 1.2935618181169617
Energy: 1.1540386339091844
Energy: 1.193798368786273
Energy: 1.2124720424263018
Energy: 1.4015130367673865
Energy: 1.1693894792007857
Energy: 1.2935618181154747
Energy: 1.1540386339091844
Energy: 1.1937983687857774
Energy: 1.1259161247986893
Energy: 1.1453574555168666
Energy: 1.402302952509139
Energy: 1.4138236806334583
Energy: 1.1687183629847155
Energy: 1.1724577492323656
Energy: 1.1259161247976974
Energy: 1.1453574555158752
Energy: 1.402302952509139
Energy: 1.4138236806334583
Energy: 1.3521791546647273
Energy: 1.1453420683308961
Energy: 1.1410175155227205
Energy: 1.1737004078226565
Energy: 1.186825023590609
Energy: 1.1693400191739816
Energy: 1.3521791546662145
Energy: 1.1453420683304
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Energy: 1.1737004078241435
Energy: 1.1534542216720383
Energy: 1.1579735878150814
Energy: 1.1693855936517814
Energy: 1.4014390131301049
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Energy: 1.170268883585075
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Energy: 1.1702688835860666
Energy: 1.1646615880589477
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Energy: 1.1111909064193204
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Energy: 1.147533063779312
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Energy: 1.41325828154317
Energy: 1.4759384056403884
Energy: 1.3196031360702851
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Energy: 1.4759384056403884
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Energy: 1.1645807517067757
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Energy: 1.4011113230985712
Energy: 1.350494522726554
Energy: 1.1693252375102965
Energy: 1.1647706003651759
Energy: 1.1739719588748756
Energy: 1.2055017293709234
Energy: 1.1746060786255497
Energy: 1.350494522726554
Energy: 1.1693252375107923
Energy: 1.1647706003651759
Energy: 1.1739719588763629
Energy: 1.1295847287000302
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Energy: 1.1875751013327085
Energy: 1.3210621875334259
Energy: 1.4067278348925019
Energy: 1.1464534348837352
Energy: 1.1295847287005258
Energy: 1.1586250561970322
Energy: 1.1875751013327085
Energy: 1.3210621875324344
Energy: 1.2637363804603672
Energy: 1.4016072472407886
Energy: 1.1984279908216906
Energy: 1.193821899399146
Energy: 1.1532511964562435
Energy: 1.3058707722288625
Energy: 1.2637363804598716
Energy: 1.4016072472397971
Energy: 1.1984279908206994
Energy: 1.1938218993981546
Energy: 1.1935677981674162
Energy: 1.223193110834999
Energy: 1.4015855319841062
Energy: 1.1693894792007857
Energy: 1.2935618181154747
Energy: 1.1540386339091844
Energy: 1.1935677981684076
Energy: 1.2231931108340524
Energy: 1.4015855319836106
Energy: 1.1693894792012816
Energy: 1.4138236806334583
Energy: 1.2259732536352752
Energy: 1.1724621324788285
Energy: 1.1259161247981933
Energy: 1.1453574555183539
Energy: 1.4023029525096349
Energy: 1.4138236806339541
Energy: 1.2259732536342838
Energy: 1.1724621324793243
Energy: 1.1259161247972018
Energy: 1.1737004078231523
Energy: 1.1868250235901134
Energy: 1.1693400191729904
Energy: 1.3521791546746422
Energy: 1.1453420683299043
Energy: 1.1410175155227205
Energy: 1.1737004078231523
Energy: 1.1868250235911046
Energy: 1.1693400191734862
Energy: 1.3521791546746422
Energy: 1.4014390131291135
Energy: 1.3895399445272056
Energy: 1.1704679874492911
Energy: 1.1528200585745565
Energy: 1.1579735878160728
Energy: 1.1693666020106062
Energy: 1.4014390131301049
Energy: 1.3895399445257182
Energy: 1.1704679874502828
Energy: 1.1528200585740607
Energy: 1.1646034076523106
Energy: 1.1588411378934271
Energy: 1.3185934725287907
Energy: 1.3449037998412068
Energy: 1.2418220332801166
Energy: 1.170273682649564
Energy: 1.1646034076518152
Energy: 1.1588411378939225
Energy: 1.3185934725302781
Energy: 1.3449037998431899

minimum gb energy = 1.1111909064193204 eV
minimum distance =  2.18661259940976 Angstroms
sigma value = 33


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

Energy: 1.1997402215546353
Energy: 1.2565174875504659
Energy: 1.2866039816698165
Energy: 1.5363444542895532
Energy: 1.2869987792574193
Energy: 1.2565370678435352
Energy: 1.1997402215554518
Energy: 1.2565174875496492
Energy: 1.2866039816698165
Energy: 1.5363444542887366
Energy: 1.3097601085489499
Energy: 1.1898334372342112
Energy: 1.145740879726136
Energy: 1.1896621299020746
Energy: 1.1644043206152042
Energy: 1.2215141211834817
Energy: 1.3097601085503106
Energy: 1.1898334372317618
Energy: 1.1457408797285853
Energy: 1.189662129903163
Energy: 1.1799643688829033
Energy: 1.1515979037164707
Energy: 1.1676158231517357
Energy: 1.2714715405815635
Energy: 1.1653402330070457
Energy: 1.1733119341585652
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Energy: 1.2714715405842851
Energy: 1.1575730400270556
Energy: 1.1518077249137224
Energy: 1.1845393927644652
Energy: 1.1653200573897118
Energy: 1.2588885576123556
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Energy: 1.1518077249131782
Energy: 1.1845393927658259
Energy: 1.165320057388351
Energy: 1.1845995511621537
Energy: 1.1516933753093848
Energy: 1.1633242390820113
Energy: 1.2690165219378207
Energy: 1.1933726767558759
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Energy: 1.1516933753104734
Energy: 1.163324239081467
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Energy: 1.2495895194146045
Energy: 1.1519246095661668
Energy: 1.187656127909741
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Energy: 1.1643505352472265
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Energy: 1.3190833140652423
Energy: 1.3100946417050203
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Energy: 1.3190833140652423
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Energy: 1.165338846660123
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Energy: 1.2661372817088101
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Energy: 1.1608500827048935
Energy: 1.2661372817079934
Energy: 1.3048115435322707
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Energy: 1.1516805755925053
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Energy: 1.1454101951038473
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Energy: 1.164417156395091
Energy: 1.190120125964831
Energy: 1.1433817703950377
Energy: 1.264094231815475
Energy: 1.3280105993898197
Energy: 1.2068867506157985
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Energy: 1.1901201259623817
Energy: 1.1433817703944935
Energy: 1.264094231816019
Energy: 1.2375033317753539
Energy: 1.1887892503046713
Energy: 1.2832275737907297
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Energy: 1.1940665796492007
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Energy: 1.2375033317745372
Energy: 1.188789250302222
Energy: 1.2832275737920904
Energy: 1.246755539669365
Energy: 1.1420590573859848
Energy: 1.163606239445847
Energy: 1.1643324409558615
Energy: 1.174083952880682
Energy: 1.1780023053471271
Energy: 1.3346018011304146
Energy: 1.1420590573868012
Energy: 1.1636062394444864
Energy: 1.164332440955045
Energy: 1.1740839528817706
Energy: 1.2420902963557083
Energy: 1.2647384763452805
Energy: 1.1653170943101654
Energy: 1.1733550896255962
Energy: 1.1585949076412319
Energy: 1.1510214285556606
Energy: 1.2420902963557083
Energy: 1.2647384763439198
Energy: 1.1653170943096214
Energy: 1.173355089625868
Energy: 1.1843745904918868
Energy: 1.1648348352090923
Energy: 1.2663466070960994
Energy: 1.3047940190530538
Energy: 1.2666273188197006
Energy: 1.1582512051697742
Energy: 1.1843745904902536
Energy: 1.1648348352090923
Energy: 1.2663466070960994
Energy: 1.304794019051421
Energy: 1.1876492267262997
Energy: 1.2919655125499592
Energy: 1.1945633242862836
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Energy: 1.2854366990808819
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Energy: 1.1626841698206738
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Energy: 1.2435606057406718
Energy: 1.2854366990800654
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Energy: 1.162684169821218
Energy: 1.1736469477688258
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Energy: 1.3044415083575045
Energy: 1.109454936836449
Energy: 1.1744879232551286
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Energy: 1.2287331943410162
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Energy: 1.3038269282599757
Energy: 1.184160677385408
Energy: 1.161114208270541
Energy: 1.2667618126416773
Energy: 1.153419896156349

minimum gb energy = 1.109454936836449 eV
minimum distance =  2.25170959699338 Angstroms
sigma value = 219


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

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Energy: 1.1316011878182213
Energy: 1.0966928295061533
Energy: 1.8107558833375077
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Energy: 1.096752490942051
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Energy: 1.1040013513303033
Energy: 1.0974887676026777
Energy: 1.0965125581535955
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Energy: 1.1040013513303033
Energy: 1.0974887676026777
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Energy: 1.1666744415975259
Energy: 1.131818433952912
Energy: 1.0969677751978018
Energy: 1.09663493711732
Energy: 1.0968034371296365
Energy: 1.306093836098851

minimum gb energy = 1.0549488538938323 eV
minimum distance =  2.31431041363345 Angstroms
sigma value = 15


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

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Energy: 1.2947031864643015
Energy: 1.2676880055487423
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minimum gb energy = 1.263536466581855 eV
minimum distance =  2.20850166022755 Angstroms
sigma value = 293


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

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Energy: 1.3188166648327593
Energy: 1.4896923767836687
Energy: 1.2520994188090582
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Energy: 1.3227726522942684
Energy: 1.306832673816351
Energy: 1.492924536877377
Energy: 1.3604211176809005
Energy: 1.3191209370223673
Energy: 1.6455093120474837
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Energy: 1.3604041997439709
Energy: 1.492924536877784
Energy: 1.3604211176804935
Energy: 1.3191209370219605
Energy: 1.6455093120462634
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Energy: 1.4897236261430145
Energy: 1.3186770203710492
Energy: 1.3068465254056392
Energy: 1.3227849809334873
Energy: 1.4070684911442974
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Energy: 1.4897236261426077
Energy: 1.3186770203706422
Energy: 1.3068465254056392
Energy: 1.3527472936548397
Energy: 1.2511543136244347
Energy: 1.3595692383705429
Energy: 1.3283169211174597
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Energy: 1.2627274744749941
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Energy: 1.307155861542893
Energy: 1.303578354586252
Energy: 1.2872508665804026
Energy: 1.426913786270551
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Energy: 1.2543488440332438
Energy: 1.5120366639857388
Energy: 1.2774311116775459
Energy: 1.2872508665808096
Energy: 1.426913786270551
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Energy: 1.2543488440336508
Energy: 1.287013154012125
Energy: 1.2873979851921056
Energy: 1.3483761208736895
Energy: 1.3217464811253312
Energy: 1.332963279346957
Energy: 1.2965909897378178
Energy: 1.2870131540125318
Energy: 1.2873979851916988
Energy: 1.3483761208740963
Energy: 1.3217464811265516
Energy: 1.3273580232820847
Energy: 1.3045104177594304
Energy: 1.2627611339631226
Energy: 1.4579080519492391
Energy: 1.2546684924913085
Energy: 1.3582106110210703
Energy: 1.327358023281271
Energy: 1.3045104177594304
Energy: 1.2627611339631226
Energy: 1.4579080519492391
Energy: 1.3283153419901383
Energy: 1.3418787381473363
Energy: 1.3418753597673092
Energy: 1.3283461285410176
Energy: 1.2736586199892053
Energy: 1.2737247983780442
Energy: 1.3283153419893245
Energy: 1.3418787381473363
Energy: 1.3418753597681228
Energy: 1.3283461285418314
Energy: 1.4579066604573523
Energy: 1.262780500234713
Energy: 1.321095604086814
Energy: 1.327353744232405
Energy: 1.3579492401136255
Energy: 1.2546194793412784
Energy: 1.4579066604573523
Energy: 1.2627805002343062
Energy: 1.3210956040860005
Energy: 1.3273537442340324
Energy: 1.3221592139298644
Energy: 1.3483806977296968
Energy: 1.287514745085554
Energy: 1.2869936265081214
Energy: 1.29659497034273
Energy: 1.3329595924329822
Energy: 1.3221592139282372
Energy: 1.34838069772929
Energy: 1.287514745085147
Energy: 1.2869936265081214
Energy: 1.2543270688662191
Energy: 1.3677421839947652
Energy: 1.426913786270958
Energy: 1.2872504140868375
Energy: 1.2775498047799432
Energy: 1.512036663984518
Energy: 1.2543270688666261
Energy: 1.3677421839947652
Energy: 1.426913786270551
Energy: 1.2872504140864305
Energy: 1.3036143466523715
Energy: 1.3071606546801078
Energy: 1.2513378772744492
Energy: 1.38214693938948
Energy: 1.3302960601032872
Energy: 1.2967034526630272
Energy: 1.3036143466523715
Energy: 1.307160654679294
Energy: 1.2513378772728216
Energy: 1.3821469393902939

minimum gb energy = 1.2511290256782408 eV
minimum distance =  2.19643374506097 Angstroms
sigma value = 293


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

Energy: 1.0668070047728642
Energy: 1.1168671001524813
Energy: 1.116249880210939
Energy: 1.770558906834619
Energy: 1.116237281856672
Energy: 1.1168717590244346
Energy: 1.0668070047728642
Energy: 1.116867100151746
Energy: 1.11624988021241
Energy: 1.6823839213256935
Energy: 1.1160866872652764
Energy: 1.7742815032950645
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Energy: 1.4633994904397674
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Energy: 1.7742815032950645
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Energy: 1.4313191877036517
Energy: 1.145024623801898
Energy: 1.0664491728517438
Energy: 1.586978964105103
Energy: 1.0662988760862262
Energy: 1.1499887984797486
Energy: 1.1167464364044593
Energy: 1.1450246238026331
Energy: 1.0664491728524794
Energy: 1.586978964105103
Energy: 1.0662988760854912
Energy: 1.5869260016190008
Energy: 1.0664499508831677
Energy: 1.1449230939042967
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Energy: 1.1499987116968293
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Energy: 1.5869260016190008
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Energy: 1.1161824697440041
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Energy: 1.0668070047728642
Energy: 1.1168671001524813
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Energy: 1.4326764941022967
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Energy: 1.2235209200510528
Energy: 1.0668070047728642
Energy: 1.116867100151746
Energy: 1.6407809137341296
Energy: 1.117314263961463
Energy: 1.1160866872652764
Energy: 1.6699223828611172
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Energy: 1.3830670164269319
Energy: 1.6407809137341296
Energy: 1.1173142639607276
Energy: 1.1160866872652764
Energy: 1.7742815032950645
Energy: 1.149988798480484
Energy: 1.1167464364037238
Energy: 1.145024623801898
Energy: 1.0664491728517438
Energy: 1.5869789641043675
Energy: 1.0662988760862262
Energy: 1.1499887984797486
Energy: 1.1167464364044593
Energy: 1.1450246238026331
Energy: 1.0664491728517438
Energy: 1.1499987116960941
Energy: 1.0663621366403238
Energy: 1.5869260016190008
Energy: 1.0664499508831677
Energy: 1.1449230939042967
Energy: 1.1167386722737616
Energy: 1.1499987116968293
Energy: 1.0663621366403238
Energy: 1.5869260016190008
Energy: 1.0664499508831677
Energy: 1.640830914924595
Energy: 1.463405487864669
Energy: 1.1161824697440041
Energy: 1.7742815032958
Energy: 1.1160677350440333
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Energy: 1.1161824697440041
Energy: 1.7742815032950645
Energy: 1.11624988021241
Energy: 1.5451844978842055
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Energy: 1.1883886220490076
Energy: 1.0668070047728642
Energy: 1.1168671001524813
Energy: 1.116249880210939
Energy: 1.4326764941022967
Energy: 1.116237281856672
Energy: 1.1883886220497428
Energy: 1.1161874766827808
Energy: 1.1880949300353645
Energy: 1.6407809137341296
Energy: 1.117314263961463
Energy: 1.1160866872652764
Energy: 1.6178461028976694
Energy: 1.1161874766827808
Energy: 1.1880949300346293
Energy: 1.6407809137341296
Energy: 1.1173142639607276
Energy: 1.586978964105103
Energy: 1.0662988760854912
Energy: 1.149988798480484
Energy: 1.1167464364037238
Energy: 1.145024623801898
Energy: 1.0664491728517438
Energy: 1.586978964105103
Energy: 1.0662988760862262
Energy: 1.1499887984797486
Energy: 1.1167464364044593
Energy: 1.1449230939042967
Energy: 1.1167386722737616
Energy: 1.1499987116960941
Energy: 1.066362136641059
Energy: 1.5869260016190008
Energy: 1.0664499508831677
Energy: 1.1449230939042967
Energy: 1.1167386722737616
Energy: 1.1499987116968293
Energy: 1.066362136641059
Energy: 1.1160677350447687
Energy: 1.1171749348888376
Energy: 1.640830914924595
Energy: 1.463405487864669
Energy: 1.1161824697440041
Energy: 1.7742815032958
Energy: 1.1160677350440333
Energy: 1.1171749348888376
Energy: 1.6408309149238598
Energy: 1.463405487864669
Energy: 1.0668070047728642
Energy: 1.116867100151746
Energy: 1.11624988021241
Energy: 1.479887538743291
Energy: 1.1162372818574073
Energy: 1.145161221475655
Energy: 1.0668070047728642
Energy: 1.1168671001524813
Energy: 1.116249880210939
Energy: 1.7340569044141465
Energy: 1.1160866872660118
Energy: 1.5706615916880888
Energy: 1.116187476683516
Energy: 1.1450123562459547
Energy: 1.6407809137341296
Energy: 1.117314263961463
Energy: 1.1160866872652764
Energy: 1.5706615916873534
Energy: 1.1161874766827808
Energy: 1.1450123562452192
Energy: 1.1450246238026331
Energy: 1.0664491728524794
Energy: 1.586978964105103
Energy: 1.0662988760854912
Energy: 1.149988798480484
Energy: 1.1167464364037238
Energy: 1.145024623801898
Energy: 1.0664491728517438
Energy: 1.586978964105103
Energy: 1.0662988760862262
Energy: 1.5869260016190008
Energy: 1.0664499508831677
Energy: 1.1449230939042967
Energy: 1.1167386722737616
Energy: 1.1499987116960941
Energy: 1.066362136641059
Energy: 1.5869260016190008
Energy: 1.0664499508831677
Energy: 1.1449230939042967
Energy: 1.1167386722737616
Energy: 1.116182469743269
Energy: 1.7742815032958
Energy: 1.1160677350447687
Energy: 1.117174934889573
Energy: 1.640830914924595
Energy: 1.463405487864669
Energy: 1.1161824697440041
Energy: 1.7742815032958
Energy: 1.1160677350440333
Energy: 1.1171749348888376
Energy: 1.116237281856672
Energy: 1.145161221475655
Energy: 1.0668070047728642
Energy: 1.116867100151746
Energy: 1.11624988021241
Energy: 1.424348189956307
Energy: 1.1162372818574073
Energy: 1.145161221475655
Energy: 1.0668070047728642
Energy: 1.1168671001524813
Energy: 1.640780913734865
Energy: 1.1173142639607276
Energy: 1.1160866872660118
Energy: 1.4782726731238285
Energy: 1.116187476683516
Energy: 1.1450123562452192
Energy: 1.6407809137341296
Energy: 1.117314263961463
Energy: 1.1160866872652764
Energy: 1.6699223828611172

minimum gb energy = 1.0662988760854912 eV
minimum distance =  2.21788354257056 Angstroms
sigma value = 15


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

Energy: 1.4924879424454278
Energy: 1.2474731531275807
Energy: 1.2666616411748046
Energy: 1.6680103105303559
Energy: 1.2667057501360683
Energy: 1.254753475372488
Energy: 1.492487942444761
Energy: 1.247473153125581
Energy: 1.2666616411734715
Energy: 1.6680103105300224
Energy: 1.3284665063711594
Energy: 1.2864888216663284
Energy: 1.2673842909221373
Energy: 1.2748541776892417
Energy: 1.2719544294199772
Energy: 1.2332115076545829
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Energy: 1.2748541776879083
Energy: 1.2815623379753425
Energy: 1.2319028834714374
Energy: 1.3510664644817212
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Energy: 1.272680226992028
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Energy: 1.348104587769896
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Energy: 1.2285262125522542
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Energy: 1.3140821714044337
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Energy: 1.2973213420633354
Energy: 1.257897187099823
Energy: 1.333579920875744
Energy: 1.23643626796347
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Energy: 1.297321342060669
Energy: 1.2578971871008229
Energy: 1.2114109826658992
Energy: 1.2833564516333134
Energy: 1.2757908241469984
Energy: 1.2418285122073338
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Energy: 1.2757908241439986
Energy: 1.2418285122083337
Energy: 1.4519766854925684
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Energy: 1.2780428175783063
Energy: 1.289015616826388
Energy: 1.24947680085865
Energy: 1.2817931191480356
Energy: 1.451976685491902
Energy: 1.2518362616787435
Energy: 1.2780428175776395
Energy: 1.2890156168270548
Energy: 1.2240143696726602
Energy: 1.388533433407274
Energy: 1.2768181487258015
Energy: 1.2661551342752473
Energy: 1.3807858893510732
Energy: 1.3038322159429818
Energy: 1.224014369670327
Energy: 1.388533433405941
Energy: 1.2768181487251344
Energy: 1.2661551342745805
Energy: 1.2654921351416346
Energy: 1.261513111127039
Energy: 1.2573624557914802
Energy: 1.2668436182182399
Energy: 1.2454916514452756
Energy: 1.4552149821682079
Energy: 1.265492135142635
Energy: 1.2615131111273725
Energy: 1.2573624557918137
Energy: 1.2668436182192397
Energy: 1.2999033944701675
Energy: 1.261211718978035
Energy: 1.2673599337737138
Energy: 1.2225276327579737
Energy: 1.268970137941028
Energy: 1.2838014310881307
Energy: 1.299903394470834
Energy: 1.2612117189773686
Energy: 1.2673599337753805
Energy: 1.2225276327573074
Energy: 1.2357811933644312
Energy: 1.3297041235312297
Energy: 1.2729320160156914
Energy: 1.2920151710227932
Energy: 1.3573740279454563
Energy: 1.2630138783810902
Energy: 1.2357811933644312
Energy: 1.3297041235298965
Energy: 1.2729320160176913
Energy: 1.2920151710251264
Energy: 1.2581916647768927
Energy: 1.2609831782175618
Energy: 1.268170309999782
Energy: 1.2856421086248893
Energy: 1.2418594310104998
Energy: 1.251102197129075
Energy: 1.258191664778226
Energy: 1.2609831782182284
Energy: 1.2681703099991153
Energy: 1.2856421086238896
Energy: 1.297003105255803
Energy: 1.210473509974068
Energy: 1.28923001021788
Energy: 1.221671207158219
Energy: 1.2660892629394447
Energy: 1.2614076231120857
Energy: 1.2970031052528028
Energy: 1.2104735099747346
Energy: 1.2892300102195469
Energy: 1.221671207158552
Energy: 1.193670649643718
Energy: 1.2551194352658563
Energy: 1.2449884799506439
Energy: 1.269712148717977
Energy: 1.2789429593274992
Energy: 1.2611948846009322
Energy: 1.1936706496423846
Energy: 1.2551194352658563
Energy: 1.2449884799506439
Energy: 1.269712148717977
Energy: 1.2284915288616383
Energy: 1.2816349775493825
Energy: 1.3809067466011997
Energy: 1.284085753759818
Energy: 1.2772376868971003
Energy: 1.3882454545618719
Energy: 1.228491528863305
Energy: 1.281634977553049
Energy: 1.3809067465995328
Energy: 1.2840857537594847
Energy: 1.250773348224085
Energy: 1.2432191228587328
Energy: 1.262430534424816
Energy: 1.3692347881988187
Energy: 1.2751701854164148
Energy: 1.2526941558131175
Energy: 1.2507733482230852
Energy: 1.2432191228583993
Energy: 1.2624305344231797
Energy: 1.3692347881964853
Energy: 1.288371861487967
Energy: 1.3530380472855064
Energy: 1.2495574865456356
Energy: 1.2419219695184682
Energy: 1.2754030384695585
Energy: 1.2831987918334817
Energy: 1.2883718614876336
Energy: 1.3530380472865065
Energy: 1.2495574865453023
Energy: 1.241921969518135
Energy: 1.2508179626962372
Energy: 1.2366362572740865
Energy: 1.3934629284997595
Energy: 1.264003006947704
Energy: 1.3260934342402029
Energy: 1.284021883537946
Energy: 1.2508179626962372
Energy: 1.2366362572744198
Energy: 1.3934629284997595
Energy: 1.2640030069490373
Energy: 1.3463314573770824
Energy: 1.226085617289587
Energy: 1.3361535845012034
Energy: 1.263756952591744
Energy: 1.2709265292866112
Energy: 1.262172992551153
Energy: 1.346331457377749
Energy: 1.226085617287587
Energy: 1.3361535845005368
Energy: 1.263756952590744
Energy: 1.2635127668584623
Energy: 1.296353802432631
Energy: 1.2133238031319382
Energy: 1.2494313236893813
Energy: 1.235980192209759
Energy: 1.2852129002975528
Energy: 1.2635127668567958
Energy: 1.2963538024286312
Energy: 1.2133238031339078
Energy: 1.2494313236897145
Energy: 1.2652618644528988
Energy: 1.2592992112444068
Energy: 1.2370228055597015
Energy: 1.2662114787409389
Energy: 1.2617360166048308
Energy: 1.30142398218989
Energy: 1.2652618644555653
Energy: 1.25929921124274
Energy: 1.2370228055587014
Energy: 1.2662114787426055
Energy: 1.3036735455593533
Energy: 1.2505600381566957
Energy: 1.3010347865997405
Energy: 1.362778633070699
Energy: 1.2754101020907194
Energy: 1.2568136617839314
Energy: 1.3036735455593533
Energy: 1.2505600381583624
Energy: 1.3010347866000735
Energy: 1.3627786330716989
Energy: 1.2853652639377813
Energy: 1.2626525517172655
Energy: 1.2455328148759723
Energy: 1.250834331096047
Energy: 1.2509557456343228
Energy: 1.2752237690847585
Energy: 1.2853652639367812
Energy: 1.2626525517152656
Energy: 1.2455328148786389
Energy: 1.2508343311000467
Energy: 1.2863495523069504
Energy: 1.2976432046373167
Energy: 1.3033256578285912
Energy: 1.2288556062776772
Energy: 1.3646164184931049
Energy: 1.2469792568139595
Energy: 1.2863495523076167
Energy: 1.2976432046383164
Energy: 1.303325657828258
Energy: 1.2288556062780105
Energy: 1.2682877680246822
Energy: 1.2279097643690073
Energy: 1.255042548339455
Energy: 1.3800481836742242
Energy: 1.2520816977698463
Energy: 1.3490822518270278
Energy: 1.2682877680260156
Energy: 1.227909764367674
Energy: 1.255042548337788
Energy: 1.3800481836775575
Energy: 1.223098636675192
Energy: 1.269935576694949
Energy: 1.2307537953290797
Energy: 1.2581678272431787
Energy: 1.2619388650822896
Energy: 1.2713398533584863
Energy: 1.223098636674192
Energy: 1.2699355766956153
Energy: 1.2307537953274128
Energy: 1.2581678272448455
Energy: 1.2967065714636923
Energy: 1.2672054232652283
Energy: 1.3737651132870645
Energy: 1.2000063622187198
Energy: 1.3122670937412184
Energy: 1.2153222944919502
Energy: 1.2967065714626924
Energy: 1.2672054232642287
Energy: 1.373765113288398
Energy: 1.2000063622217194

minimum gb energy = 1.193461672785409 eV
minimum distance =  2.26581243202724 Angstroms
sigma value = 437


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

Energy: 1.3543529622291306
Energy: 1.3612820868491815
Energy: 1.218817840581873
Energy: 1.7475859549856685
Energy: 1.2187579511322109
Energy: 1.3127277172139877
Energy: 1.354352962230345
Energy: 1.361282086847967
Energy: 1.218817840581873
Energy: 1.7475859549868826
Energy: 1.2426548643955784
Energy: 1.429933451174871
Energy: 1.2192029019482573
Energy: 1.2176708102708913
Energy: 1.3408296621831797
Energy: 1.2544934412684334
Energy: 1.2426548643955784
Energy: 1.429933451174871
Energy: 1.2192029019482573
Energy: 1.2176708102696772
Energy: 1.1459860898963496
Energy: 1.2040707549959373
Energy: 1.2184392568066484
Energy: 1.169113362411677
Energy: 1.2192577646930216
Energy: 1.2323809447231373
Energy: 1.1459860898963496
Energy: 1.2040707549959373
Energy: 1.2184392568078626
Energy: 1.169113362411677
Energy: 1.2314476725831114
Energy: 1.2032250775121947
Energy: 1.218593387857188
Energy: 1.2174321661423022
Energy: 1.2202632843017587
Energy: 1.3088978723930502
Energy: 1.2314476725843257
Energy: 1.2032250775121947
Energy: 1.218593387857188
Energy: 1.2174321661435168
Energy: 1.142916148700871
Energy: 1.20275580777795
Energy: 1.2220896215794093
Energy: 1.2259193237003998
Energy: 1.2497827172626623
Energy: 1.1946499130722525
Energy: 1.1429161486996564
Energy: 1.2027558077767357
Energy: 1.2220896215806236
Energy: 1.2259193236991854
Energy: 1.2062133040210337
Energy: 1.3165069322217289
Energy: 1.1912441702977736
Energy: 1.1901306456909786
Energy: 1.1939709825579488
Energy: 1.1619125463514852
Energy: 1.2062133040234624
Energy: 1.3165069322205145
Energy: 1.1912441702977736
Energy: 1.190130645692193
Energy: 1.24989318451954
Energy: 1.2053119691942769
Energy: 1.312022540287127
Energy: 1.257692577975864
Energy: 1.2191987190073164
Energy: 1.2041853811486043
Energy: 1.24989318451954
Energy: 1.2053119691942769
Energy: 1.3120225402883416
Energy: 1.2576925779782926
Energy: 1.143663072534193
Energy: 1.2033546551159924
Energy: 1.218173989707435
Energy: 1.2177446458892356
Energy: 1.2200230665867215
Energy: 1.2030318265432614
Energy: 1.1436630725329786
Energy: 1.2033546551159924
Energy: 1.2181739897086497
Energy: 1.2177446458892356
Energy: 1.30646035505726
Energy: 1.2540558442012064
Energy: 1.5081711562498716
Energy: 1.2271311506592346
Energy: 1.2186379906660607
Energy: 1.2421360036412554
Energy: 1.30646035505726
Energy: 1.2540558441987777
Energy: 1.5081711562523006
Energy: 1.227131150656806
Energy: 1.2100325846575033
Energy: 1.2124810431648199
Energy: 1.1900623891911344
Energy: 1.1969035194698299
Energy: 1.2193571841709916
Energy: 1.311116251272008
Energy: 1.210032584656289
Energy: 1.2124810431648199
Energy: 1.19006238918992
Energy: 1.1969035194698299
Energy: 1.2125856053614708
Energy: 1.3057335910425596
Energy: 1.22221887310437
Energy: 1.217778497661753
Energy: 1.2957435855561226
Energy: 1.2052443173095784
Energy: 1.212585605357828
Energy: 1.3057335910413452
Energy: 1.2222188731019414
Energy: 1.2177784976605386
Energy: 1.1428836677538603
Energy: 1.2033481626570706
Energy: 1.3774431312364928
Energy: 1.1646432362913248
Energy: 1.220003001490125
Energy: 1.2034591079225592
Energy: 1.1428836677514316
Energy: 1.2033481626570706
Energy: 1.3774431312377073
Energy: 1.1646432362901107
Energy: 1.2157006916839421
Energy: 1.2047639518755224
Energy: 1.3166521366679755
Energy: 1.2172073111766473
Energy: 1.2220767531058303
Energy: 1.3057190696379593
Energy: 1.2157006916839421
Energy: 1.2047639518778959
Energy: 1.316652136666761
Energy: 1.2172073111778616
Energy: 1.1657604809035453
Energy: 1.3266212747903805
Energy: 1.2189556078124468
Energy: 1.3317197360218898
Energy: 1.1911991062793965
Energy: 1.2030232700796084
Energy: 1.1657604809047595
Energy: 1.3266212747903805
Energy: 1.2189556078112325
Energy: 1.3317197360218898

minimum gb energy = 1.1428836677514316 eV
minimum distance =  2.26029431940435 Angstroms
sigma value = 33