Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520024351775646
cohesive_energy=4.422204084913661
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
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: -0.0272614018 eV

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

Energy: 0.020409485061210365
Energy: 0.5080432359517336
Energy: 0.5080432359517336
Energy: 0.020409485061210365
Energy: 0.5080432359517336
Energy: 0.5080432359532582
Energy: 0.020409485061210365
Energy: 0.5080432359532582
Energy: 0.5080432359517336
Energy: 0.020409485061210365
Energy: 0.5051058811899157
Energy: 0.0244323675824805
Energy: 0.5058757798786802
Energy: 0.5051058811899157
Energy: 0.02443236758400507
Energy: 0.5058757798786802
Energy: 0.5051058811899157
Energy: 0.0244323675824805
Energy: 0.5058757798786802
Energy: 0.5051058811899157
Energy: 1.2100187126921305
Energy: 0.2929744966426952
Energy: 0.9385921216232315
Energy: 1.2100187037590673
Energy: 0.9385921216232315
Energy: 0.2929744966396461
Energy: 1.2100187018191593
Energy: 0.9385921216217069
Energy: 0.2929744966396461
Energy: 1.2100186961045618
Energy: 0.5051058811899157
Energy: 0.5058757798802048
Energy: 0.02443236758400507
Energy: 0.5051058811899157
Energy: 0.5058757798786802
Energy: 0.02443236758400507
Energy: 0.5051058811899157
Energy: 0.5058757798802048
Energy: 0.024432367585529635
Energy: 0.5051058811899157
Energy: 0.020409485061210365
Energy: 0.5080432359517336
Energy: 0.5080432359517336
Energy: 0.020409485061210365
Energy: 0.5080432359517336
Energy: 0.5080432359517336
Energy: 0.020409485061210365
Energy: 0.5080432359517336
Energy: 0.5080432359517336
Energy: 0.020409485061210365
Energy: 0.5051058811899157
Energy: 0.02443236758400507
Energy: 0.5058757798786802
Energy: 0.5051058811899157
Energy: 0.02443236758400507
Energy: 0.5058757798802048
Energy: 0.5051058811899157
Energy: 0.02443236758400507
Energy: 0.5058757798786802
Energy: 0.5051058811899157
Energy: 1.2100188030588086
Energy: 0.2929744966396461
Energy: 0.4727637056134999
Energy: 1.2100186970219353
Energy: 0.2929744966396461
Energy: 0.8139016121081956
Energy: 1.2100186990228259
Energy: 0.2929744966396461
Energy: 0.9385921216232315
Energy: 1.210019123808766

minimum gb energy = 0.020409485061210365 eV
minimum distance =  2.20927710130224 Angstroms
sigma value = 3


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

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Energy: 1.505004151356707
Energy: 1.5133730075032321
Energy: 1.2491524136324876
Energy: 1.5050041513604413
Energy: 1.5133730075181695
Energy: 1.3205043309326063
Energy: 1.5050041513641756
Energy: 1.513373007521904
Energy: 1.2491524136324876
Energy: 1.2424207492473671
Energy: 1.2559884676043285
Energy: 1.3927165882138808
Energy: 1.2424207492623045
Energy: 1.2559884676005941
Energy: 1.3927165882138808
Energy: 1.242420749254836
Energy: 1.2559884676117974
Energy: 1.3927165882026775
Energy: 1.242420749239898
Energy: 1.333191700180516
Energy: 1.629647169202679
Energy: 1.4283342592959232
Energy: 1.3244968297658877
Energy: 1.6296471691989445
Energy: 1.4283342592959232
Energy: 1.3331917001730471
Energy: 1.6296471691989445
Energy: 1.428334259299657
Energy: 1.3244968297696222
Energy: 1.4491078618439597
Energy: 1.5262222817222018
Energy: 1.1098717224573789
Energy: 1.4491078618439597
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Energy: 1.1098717224573789
Energy: 1.4491078618439597
Energy: 1.5262222817259359
Energy: 1.109871722468582
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Energy: 1.0497225990883519
Energy: 1.4365719865309747
Energy: 1.442119194391093
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Energy: 1.1092223418619385
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Energy: 1.5469041770982224
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Energy: 1.4491278902107307
Energy: 1.2639822252523483
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Energy: 1.188205988744561
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Energy: 1.1092505843065175
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Energy: 1.5254174582503766
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Energy: 1.4674929567020958
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Energy: 1.4674929566908925
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Energy: 1.4058176422426467
Energy: 1.438594260562986
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Energy: 1.405817642246381
Energy: 1.4385942605592517
Energy: 1.2564201931392538
Energy: 1.4058176422501156
Energy: 1.4385942605592517
Energy: 1.2562689167401986
Energy: 1.4058176422501156
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Energy: 1.391592913435021
Energy: 1.501613323277275
Energy: 1.1990940056951278
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Energy: 1.5016133232884785
Energy: 1.1990940056988624
Energy: 1.3233672751111194
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Energy: 1.390983324632834
Energy: 1.3909169280467408
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Energy: 1.1091399737032663
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Energy: 1.1091399736995322
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Energy: 1.546598805066902
Energy: 1.2985171032342857
Energy: 1.1141059589323397
Energy: 1.5465988050817716
Energy: 1.2622157389832438
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Energy: 1.546598805074303
Energy: 1.298517103230619
Energy: 1.114105958928605
Energy: 1.5465988050817716
Energy: 1.0497180857597377
Energy: 1.4435776593557412
Energy: 1.4510554512254958
Energy: 1.0497180857708728
Energy: 1.438281372787641
Energy: 1.4299312888578173
Energy: 1.0497180857671387
Energy: 1.4435776593557412
Energy: 1.451055451218095
Energy: 1.0497180857597377
Energy: 1.4641281509596364
Energy: 1.1091943857084348
Energy: 1.4729731462412343
Energy: 1.4641281509671051
Energy: 1.1091943857084348
Energy: 1.4729731462375004
Energy: 1.4641281509559019
Energy: 1.1091943857047004
Energy: 1.4729731462412343
Energy: 1.4641281509521675
Energy: 1.4596933597982742
Energy: 1.5186336357175427
Energy: 1.318633836087885
Energy: 1.4596933597982742
Energy: 1.5186336357100738
Energy: 1.3186338360766818
Energy: 1.4596933597908055
Energy: 1.5186336357175427
Energy: 1.3186338360804164
Energy: 1.4596933597908055
Energy: 1.1947229378280733
Energy: 1.4830217672609596
Energy: 1.2527184847828543
Energy: 1.1947229378318074
Energy: 1.4830217672534907
Energy: 1.2546456994223025
Energy: 1.1947229378243387
Energy: 1.4830217672534907
Energy: 1.2527184847940576
Energy: 1.1947229378318074
Energy: 1.2570965604065145
Energy: 1.5050041513529726
Energy: 1.5133730075144352
Energy: 1.2571370284186363
Energy: 1.505004151356707
Energy: 1.5133730075069665
Energy: 1.2570965604139837
Energy: 1.5050041513641756
Energy: 1.5133730075069665
Energy: 1.2571370284186363
Energy: 1.2424207492473671
Energy: 1.2559884676005941
Energy: 1.3927165882138808
Energy: 1.242420749254836
Energy: 1.2559884675968598
Energy: 1.3927165882138808
Energy: 1.242420749254836
Energy: 1.2559884676080628
Energy: 1.3927165882026775
Energy: 1.2424207492436325
Energy: 1.3269414574726806
Energy: 1.6296471692064132
Energy: 1.428334259299657
Energy: 1.2944950814649159
Energy: 1.6296471691989445
Energy: 1.428334259299657
Energy: 1.3269414574764151
Energy: 1.6296471691989445
Energy: 1.428334259299657
Energy: 1.2944950814723848
Energy: 1.4491078618439597
Energy: 1.5262222817259359
Energy: 1.1098717224573789
Energy: 1.4491078618439597
Energy: 1.5262222817334048
Energy: 1.1098717224573789
Energy: 1.4491078618439597
Energy: 1.5262222817296704
Energy: 1.1098717224648476
Energy: 1.4491078618402253

minimum gb energy = 1.0497180857597377 eV
minimum distance =  2.28357959222934 Angstroms
sigma value = 75


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

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Energy: 1.2082747471325361
Energy: 1.2086026573385207
Energy: 1.4161293409810256
Energy: 1.2082747471380026
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minimum gb energy = 1.2074010267419693 eV
minimum distance =  2.15754187233626 Angstroms
sigma value = 105


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

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Energy: 1.4363485945240226
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Energy: 1.406812583496462
Energy: 1.347370951889611
Energy: 1.3958491666342774
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Energy: 1.347359805758044
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Energy: 1.347370951897834
Energy: 1.3958491666322215
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Energy: 1.4473086207210621
Energy: 1.3469096795100695
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Energy: 1.4473086207210621
Energy: 1.3469099884800484
Energy: 1.5340446761839104
Energy: 1.447308620725174
Energy: 1.3469096795162365
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Energy: 1.4473086207210621
Energy: 1.4325251302442013
Energy: 1.4128204538281792
Energy: 1.3265866552168062
Energy: 1.4325251302421453
Energy: 1.4128204538302351
Energy: 1.3265866552168062
Energy: 1.4325251302442013
Energy: 1.4128204538302351
Energy: 1.326586655220918
Energy: 1.4325251302503683
Energy: 1.4412771829670143
Energy: 1.4018002687534776
Energy: 1.3769247392542363
Energy: 1.4412771829649587
Energy: 1.4017052528098142
Energy: 1.376924739250125
Energy: 1.441277182962903
Energy: 1.401800268755533
Energy: 1.3769247392542363
Energy: 1.441277182962903
Energy: 1.3848736027627622
Energy: 1.3851602824309843
Energy: 1.4403771658661606
Energy: 1.3848736027607067
Energy: 1.3851655174871733
Energy: 1.4403771658661606
Energy: 1.3848736027627622
Energy: 1.3851602824330402
Energy: 1.4403771658641051
Energy: 1.384873602764818
Energy: 1.4621799504467394
Energy: 1.328198358015465
Energy: 1.453739948194386
Energy: 1.4621799504487951
Energy: 1.3281981793329916
Energy: 1.4537399481923303
Energy: 1.4621799504467394
Energy: 1.328198358015465
Energy: 1.453739948196442
Energy: 1.462179950450851

minimum gb energy = 1.3231295652372426 eV
minimum distance =  2.16529940802685 Angstroms
sigma value = 165


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

Energy: 1.3304801309942391
Energy: 1.3808268456582784
Energy: 1.3801377656659921
Energy: 1.2761196204365393
Energy: 1.3808268456603956
Energy: 1.3801377656652862
Energy: 1.3304801309949448
Energy: 1.3808268456611013
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Energy: 1.2761196204365393
Energy: 1.3492570263035208
Energy: 1.2729221120219298
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Energy: 1.3596457544144847
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Energy: 1.4333488417852995
Energy: 1.3017517987479497
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Energy: 1.2916350953722813
Energy: 1.2899047132797508
Energy: 1.4812820061681287
Energy: 1.2916350953687528
Energy: 1.289904713283921
Energy: 1.4812820061638945
Energy: 1.29163509537087
Energy: 1.2899047132776333
Energy: 1.4812820061631888
Energy: 1.362388329625898
Energy: 1.299565627588647
Energy: 1.4103769310817666
Energy: 1.3623883296075487
Energy: 1.299565627583001
Energy: 1.4103769310789436
Energy: 1.3623883296139003
Energy: 1.2995656275801781
Energy: 1.4103769310810608
Energy: 1.3623883294826973
Energy: 1.433837827220741
Energy: 1.4323883002175026
Energy: 1.2729362501400325
Energy: 1.433837827220741
Energy: 1.432388300216091
Energy: 1.2729362501414443
Energy: 1.433837827220741
Energy: 1.4323883002189142
Energy: 1.2729362501379153
Energy: 1.4338378272186236
Energy: 1.2761196204323046
Energy: 1.3808268456625128
Energy: 1.3801377656659921
Energy: 1.2761196204301875
Energy: 1.380826845658984
Energy: 1.3801377656596405
Energy: 1.2761196204323046
Energy: 1.3808268456603956
Energy: 1.380137765658229
Energy: 1.2761196204301875

minimum gb energy = 1.272796761125716 eV
minimum distance =  2.27599375577112 Angstroms
sigma value = 41


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

Energy: 1.4333651777267271
Energy: 1.215748610114652
Energy: 1.2113998267158532
Energy: 1.314520907409239
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Energy: 1.23062397359917
Energy: 1.2170277045234326
Energy: 1.202751593347557
Energy: 1.1180348790387682
Energy: 1.1771221395434504
Energy: 1.202751593350295
Energy: 1.1180348790442447
Energy: 1.177376182048613
Energy: 1.202751593347557
Energy: 1.1180348790497208
Energy: 1.1771221395434504
Energy: 1.202751593347557
Energy: 1.2581138490610315
Energy: 1.3371131488436927
Energy: 1.1797039173451953
Energy: 1.2581138490582933
Energy: 1.337113148849169
Energy: 1.16893384596741
Energy: 1.2581138490637696
Energy: 1.337113148849169
Energy: 1.1797039173451953
Energy: 1.2581138490610315
Energy: 1.1934553639067864
Energy: 1.3646315508587563
Energy: 1.1657265480339134
Energy: 1.1934553638985719
Energy: 1.3646315508669709
Energy: 1.1657265480311754
Energy: 1.1934553638903571
Energy: 1.3646315508642328
Energy: 1.1657265480311754
Energy: 1.1934553638985719
Energy: 1.1698014545134983
Energy: 1.1376508777919938
Energy: 1.1415879327340166
Energy: 1.1698014545134983
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Energy: 1.1415879327285403
Energy: 1.1698014545161866
Energy: 1.1376508777892556
Energy: 1.1415879327367549
Energy: 1.1698014545134983
Energy: 1.175661945588928
Energy: 1.2326572339569666
Energy: 1.202262532967602
Energy: 1.1756619455916661
Energy: 1.2326572339569666
Energy: 1.2022625329621257
Energy: 1.175661945588928
Energy: 1.2326572339569666
Energy: 1.2022625329648637
Energy: 1.175661945588928
Energy: 1.2157132898010168
Energy: 1.1179960608874253
Energy: 1.1657690394232239
Energy: 1.2157132898010168
Energy: 1.1179960608846873
Energy: 1.1657690394204858
Energy: 1.2157132898119198
Energy: 1.117996060881949
Energy: 1.1657690394177476
Energy: 1.2157132898037553
Energy: 1.2139271962802654
Energy: 1.2120610840563193
Energy: 1.3543359440557372
Energy: 1.2139271962830036
Energy: 1.2120610840563193
Energy: 1.3930115188939909
Energy: 1.2139271962939566
Energy: 1.2120610840563193
Energy: 1.3543359440557372
Energy: 1.2139271962775273
Energy: 1.117964605041474
Energy: 1.2854268108560172
Energy: 1.1819419751200215
Energy: 1.1179646050496888
Energy: 1.2045540109609827
Energy: 1.2038630817480007
Energy: 1.1179646050469505
Energy: 1.2854268108587554
Energy: 1.1819419751200215
Energy: 1.1179646050496888
Energy: 1.1437441089437712
Energy: 1.195073863648665
Energy: 1.1951317047639576
Energy: 1.143744108941033
Energy: 1.1950817079380274
Energy: 1.195158917944783
Energy: 1.1437441089492477
Energy: 1.1950738636377125
Energy: 1.1951317047639576
Energy: 1.1437441089601506
Energy: 1.1406467892557781
Energy: 1.19115804133805
Energy: 1.1385337809454192
Energy: 1.1406467892530399
Energy: 1.1911677946080559
Energy: 1.1385337809454192
Energy: 1.1406467892530399
Energy: 1.1911580413435268
Energy: 1.1385337809345166
Energy: 1.1406467892503018
Energy: 1.2637910316403713
Energy: 1.1844896407621974
Energy: 1.1785170174881336
Energy: 1.2637910316348948
Energy: 1.1843961153462084
Energy: 1.1785170174881336
Energy: 1.2637910316403713
Energy: 1.18448964077315
Energy: 1.178517017490872
Energy: 1.2637910316348948
Energy: 1.2693765906194827
Energy: 1.2254487296467151
Energy: 1.1725618249650627
Energy: 1.269376590622221
Energy: 1.2254487296412389
Energy: 1.1725618249623244
Energy: 1.2693765906249592
Energy: 1.2254487296412389
Energy: 1.172561824967801
Energy: 1.269376590622221

minimum gb energy = 1.1167765863645869 eV
minimum distance =  2.17669600599789 Angstroms
sigma value = 185


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

Energy: 0.8107598438111835
Energy: 0.6604893445658518
Energy: 0.6598872558308853
Energy: 0.4996027650285394
Energy: 0.6604893445688068
Energy: 0.6598872558276347
Energy: 0.8107598438023779
Energy: 0.6604893445675066
Energy: 0.6598872558263346
Energy: 0.4996027650282438
Energy: 0.7478569077115091
Energy: 0.6491057309818595
Energy: 0.9757903316959622
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Energy: 0.7894526598761205
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Energy: 0.9757903317008675
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Energy: 0.65201707849692
Energy: 0.6890641278801355
Energy: 0.5795015771758127
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Energy: 0.652017078504071
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Energy: 0.5795015771813089
Energy: 0.5532514943957361
Energy: 0.8119433119446046
Energy: 0.6603356806112215
Energy: 0.6631756239175615
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Energy: 0.7061846579814938
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Energy: 0.6829649121176898
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Energy: 0.6610843836223178
Energy: 0.7910746189602633
Energy: 0.8762856903476965
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Energy: 0.8762856907018706
Energy: 0.6690221152251407
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Energy: 0.6612639317908857
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Energy: 0.6262963977282351
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Energy: 0.6612639317908857
Energy: 0.79099479337303
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Energy: 0.6865003973469621
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Energy: 0.6865003973505671
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Energy: 0.7301307876975488
Energy: 0.6611706072775174
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Energy: 0.7301307876936484
Energy: 0.4990885962911218
Energy: 0.5328439196103126
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Energy: 0.5531181028923414
Energy: 0.5744329387497199
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Energy: 0.49908859629271746
Energy: 0.5328439196070623
Energy: 0.6884854105228323
Energy: 0.553118102901088
Energy: 0.6392411472497619
Energy: 0.8234138021687132
Energy: 0.6846463929618326
Energy: 0.6392411472458615
Energy: 0.8234138021690087
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Energy: 0.8234138021654628
Energy: 0.6846463929653784
Energy: 0.6392411472588629
Energy: 0.607773668079083
Energy: 0.6604893445655563
Energy: 0.659887255830235
Energy: 0.49960276502788936
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Energy: 0.6598872558272803
Energy: 0.6077736680784329
Energy: 0.660489344571998
Energy: 0.65988725582598
Energy: 0.49960276502788936
Energy: 0.6396257749016914
Energy: 0.6491057309825096
Energy: 0.975790331698917
Energy: 0.639625774903287
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Energy: 0.947379929319966
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Energy: 0.9757903317011628
Energy: 0.6396257748961361
Energy: 0.4991350514348983
Energy: 0.6890641278794856
Energy: 0.5795015771764627
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Energy: 0.5326657011914183
Energy: 0.49913505144529957
Energy: 0.6890641278733393
Energy: 0.579501577178413
Energy: 0.5532514943976863
Energy: 0.8119433119469094
Energy: 0.6603356806121671
Energy: 0.6631756239152566
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Energy: 0.6603356806069665
Energy: 0.627115223559191
Energy: 0.811943311943009
Energy: 0.6603356806034206
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Energy: 0.8119433119420043
Energy: 0.6610843836148715
Energy: 0.6829649121114846
Energy: 0.5575678484350858
Energy: 0.6610843836181218
Energy: 0.6829649121218859
Energy: 0.5575669960460595
Energy: 0.6610843836203676
Energy: 0.6829649121173352
Energy: 0.5575678484327808
Energy: 0.6610843836223178
Energy: 0.7910746189635137
Energy: 0.8535547214702695
Energy: 0.6690221152264408
Energy: 0.7910746189541171
Energy: 0.8120369729913534
Energy: 0.6262044317542931
Energy: 0.791074618948562
Energy: 0.853554721525526
Energy: 0.6690221152235449
Energy: 0.7910746189570129
Energy: 0.6612639317892902
Energy: 0.70447483850619
Energy: 0.8240393007989171
Energy: 0.66126393178799
Energy: 0.6262963977275849
Energy: 0.8240393008034675
Energy: 0.6612639317873399
Energy: 0.7044748385055398
Energy: 0.8240393008002171
Energy: 0.6612639317889356
Energy: 0.79099479337303
Energy: 0.6565036923429374
Energy: 0.6865003973479668
Energy: 0.7909947933736802
Energy: 0.5579502318634764
Energy: 0.6865003973505671
Energy: 0.7909947933772851
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Energy: 0.6865003973479668
Energy: 0.7909947933782305
Energy: 0.6436540676117204
Energy: 0.7405101619453578
Energy: 0.6598419739340747
Energy: 0.7301307876929983
Energy: 0.6611706072755672
Energy: 0.6598419739353748
Energy: 0.6436540676104202
Energy: 0.7405101619496128
Energy: 0.659841973936675
Energy: 0.7301307876968987
Energy: 0.6521248849252224
Energy: 0.6487715638976056
Energy: 0.6884854105228323
Energy: 0.5531945230388752
Energy: 0.5744459803476457
Energy: 0.6884854105228323
Energy: 0.6521248849307775
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Energy: 0.6884854105215321
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Energy: 0.8234138021664084
Energy: 0.6846463929582276
Energy: 0.6392411472481663
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Energy: 0.6846463929679788
Energy: 0.7476047303185569
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Energy: 0.6846463929650238
Energy: 0.6392411472588629
Energy: 0.8107598438059828
Energy: 0.6604893445655563
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Energy: 0.4996027650282438
Energy: 0.6604893445681567
Energy: 0.65988725582598
Energy: 0.8107598438020823
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Energy: 0.6598872558285803
Energy: 0.4996027650282438
Energy: 0.7478569077085542
Energy: 0.6491057309834551
Energy: 0.9757903316992126
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Energy: 0.6491057309802047
Energy: 0.7894526601285278
Energy: 0.7478569077056585
Energy: 0.6491057309714583
Energy: 0.9757903316992126
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Energy: 0.5532514943992819
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Energy: 0.6158236121394364
Energy: 0.6520170785037163
Energy: 0.6890641278733393
Energy: 0.5795015771793586
Energy: 0.5532514943973317
Energy: 0.8119433119465547
Energy: 0.6603356806095667
Energy: 0.6631756239159067
Energy: 0.8119433119482095
Energy: 0.660335680606671
Energy: 0.706184657979839
Energy: 0.8119433119426543
Energy: 0.6603356806060209
Energy: 0.6631756239204573
Energy: 0.8119433119426543
Energy: 0.6610843836187719
Energy: 0.682964912109889
Energy: 0.5575678484389862
Energy: 0.6610843836184174
Energy: 0.6829649121235406
Energy: 0.6569257611706781
Energy: 0.6610843836177673
Energy: 0.6829649121163898
Energy: 0.5575678484311852
Energy: 0.6610843836229678
Energy: 0.7910746189602633
Energy: 0.8762856896855628
Energy: 0.6690221152261453
Energy: 0.7910746189541171
Energy: 0.7690723811964068
Energy: 0.668943517361026
Energy: 0.791074618949862
Energy: 0.8762856899919267
Energy: 0.6690221152238406
Energy: 0.7910746189560675
Energy: 0.6612639317860398
Energy: 0.6625125137592297
Energy: 0.8240393007986214
Energy: 0.6612639317882856
Energy: 0.6262963977285896
Energy: 0.8240393008002171
Energy: 0.6612639317892902
Energy: 0.6625125137514288
Energy: 0.8240393008018128
Energy: 0.6612639317892902
Energy: 0.7909947933710798
Energy: 0.5579569460370787
Energy: 0.6865003973466667
Energy: 0.7909947933759849
Energy: 0.5579524187307231
Energy: 0.6865003973489123
Energy: 0.7909947933749802
Energy: 0.5579569460286277
Energy: 0.6865003973489123
Energy: 0.7909947933704297
Energy: 0.7301307876968987
Energy: 0.6611706072778131
Energy: 0.6598419739350794
Energy: 0.7301307876920528
Energy: 0.6611706072742672
Energy: 0.659841973932479
Energy: 0.7301307876975488
Energy: 0.6611706072700121
Energy: 0.6598419739350794
Energy: 0.7301307876992037
Energy: 0.4990885962907672
Energy: 0.5328439196060577
Energy: 0.6884854105199366
Energy: 0.553118102893287
Energy: 0.5744329387493654
Energy: 0.6884854105212367
Energy: 0.4990885962959678
Energy: 0.5328439196090126
Energy: 0.6884854105228323
Energy: 0.5531181029017381
Energy: 0.6392411472481663
Energy: 0.8234138021677085
Energy: 0.6846463929614779
Energy: 0.6392411472471616
Energy: 0.8234138021690087
Energy: 0.684646392966974
Energy: 0.6392411472507666
Energy: 0.8234138021644581
Energy: 0.6846463929643738
Energy: 0.6392411472585674

minimum gb energy = 0.4990885962907672 eV
minimum distance =  2.3330315275557 Angstroms
sigma value = 33


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

Energy: 1.0999563218933817
Energy: 1.1522867927459703
Energy: 1.151924659082708
Energy: 1.074252858899276
Energy: 1.1522867927477545
Energy: 1.151924659073786
Energy: 1.099956321895166
Energy: 1.152286792749539
Energy: 1.1519246590791392
Energy: 1.074252858899276
Energy: 1.1256899606936286
Energy: 1.0680036437177136
Energy: 1.1031314923946962
Energy: 1.125689960697197
Energy: 1.0680036437177136
Energy: 1.1031314923982651
Energy: 1.1256899606989816
Energy: 1.0680036437159293
Energy: 1.1031314923964806
Energy: 1.1256899606954127
Energy: 1.1279580845653687
Energy: 1.053828251244654
Energy: 1.1227274780499368
Energy: 1.1681906696987905
Energy: 1.053828251235732
Energy: 1.1227274780517211
Energy: 1.149334020491197
Energy: 1.0538282512375163
Energy: 1.1227274780535055
Energy: 1.1609423445260385
Energy: 1.2332732164080837
Energy: 1.0681112159080022
Energy: 1.1925412594884648
Energy: 1.2332732164080837
Energy: 1.0681112159080022
Energy: 1.1925412594920335
Energy: 1.2332732164098679
Energy: 1.0681112159097863
Energy: 1.1925412594848959
Energy: 1.2332732164116524
Energy: 1.183463988821484
Energy: 1.0951652697591836
Energy: 1.0557680349420757
Energy: 1.1834639888250527
Energy: 1.0951652697556147
Energy: 1.0557680349367227
Energy: 1.1834639888250527
Energy: 1.0951652697573993
Energy: 1.05576803494386
Energy: 1.1834639888232685
Energy: 1.094767318683224
Energy: 1.158582773672167
Energy: 1.133235373394769
Energy: 1.0947673186885771
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Energy: 1.1332353734019065
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Energy: 1.158582773675736
Energy: 1.1332353733894163
Energy: 1.094767318686793
Energy: 1.0428032102144267
Energy: 1.1159842347300881
Energy: 1.2185072332681257
Energy: 1.0428130274956666
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Energy: 1.1267720990283037
Energy: 1.0494611919391366
Energy: 1.0558732537774578
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Energy: 1.055873253773889
Energy: 1.126772099031872
Energy: 1.0494611919337833
Energy: 1.0558732537774578
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Energy: 1.1170366783458008
Energy: 1.0034772335929356
Energy: 1.213952333199212
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Energy: 1.0034772335982887
Energy: 1.2139523331920743
Energy: 1.1170366783404477
Energy: 1.0034772335929356
Energy: 1.2139523331974276
Energy: 1.1170366783422323
Energy: 1.121031179330879
Energy: 1.057422869702807
Energy: 1.1577794863050166
Energy: 1.1210311793237413
Energy: 1.0574228697063757
Energy: 1.1577794863032325
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Energy: 1.05742286970816
Energy: 1.1577794863085855
Energy: 1.1210311793255257
Energy: 1.1396198217909057
Energy: 1.1490993418034456
Energy: 1.0927982381621018
Energy: 1.1396198217891214
Energy: 1.1490993418105833
Energy: 1.0927451843990688
Energy: 1.1396198217962588
Energy: 1.1490993418016613
Energy: 1.0927982381656705
Energy: 1.1396198217962588
Energy: 1.0672115775238542
Energy: 1.1312868331315733
Energy: 1.1126065862108254
Energy: 1.0672115775185333
Energy: 1.1313866188430601
Energy: 1.1123544633305695
Energy: 1.0672115775203177
Energy: 1.1312868331315733
Energy: 1.1126065862197474
Energy: 1.0672115775238542
Energy: 1.0522871230009088
Energy: 1.106257067004726
Energy: 1.1240300891032935
Energy: 1.0522871230009088
Energy: 1.1061800884713697
Energy: 1.1240361502211758
Energy: 1.0522871230044777
Energy: 1.106257067002942
Energy: 1.1240300891050778
Energy: 1.0522871229991244
Energy: 1.0680036018517636
Energy: 1.1233945604902704
Energy: 1.0989559238391113
Energy: 1.0680036018553323
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Energy: 1.0989559238337585
Energy: 1.0680036018571166
Energy: 1.123394560486702
Energy: 1.098955923831974
Energy: 1.0680036018571166
Energy: 1.1533516485306414
Energy: 1.0736152493831874
Energy: 1.1483807661210996
Energy: 1.1533516485306414
Energy: 1.0736152493867563
Energy: 1.148380766113962
Energy: 1.1533516485217195
Energy: 1.0736152493903248
Energy: 1.1483807661157464
Energy: 1.1533516485288569
Energy: 1.1026959491480546
Energy: 1.1277019836492723
Energy: 1.055194059403052
Energy: 1.1026959491569759
Energy: 1.1277019836510564
Energy: 1.055194059403052
Energy: 1.1026959491498387
Energy: 1.1277019836492723
Energy: 1.0551940594084053
Energy: 1.1026959491444857
Energy: 1.1165853038240092
Energy: 1.2128594600872205
Energy: 1.0526146732557384
Energy: 1.116585303827578
Energy: 1.2128594600961424
Energy: 1.052614673248601
Energy: 1.116585303827578
Energy: 1.2128594600907892
Energy: 1.0526146732503854
Energy: 1.1165853038257936
Energy: 1.2055215497808955
Energy: 1.1560166346309364
Energy: 1.046741125337681
Energy: 1.205521549784432
Energy: 1.1560166346220144
Energy: 1.046741125346603
Energy: 1.205521549789785
Energy: 1.156016634629152
Energy: 1.0467411253394654
Energy: 1.2055215497862164
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Energy: 1.1485538760484788
Energy: 1.0790247864607003
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Energy: 1.1131310704392496
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Energy: 1.1355766524431319
Energy: 1.1131310704428186
Energy: 1.158406850227113
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Energy: 1.1131310704463873
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Energy: 1.135576652439563
Energy: 1.1131310704338966
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Energy: 1.0517061329169564
Energy: 1.0667452954901866
Energy: 1.1642213627524667
Energy: 1.0517061329151722

minimum gb energy = 1.0034772335929356 eV
minimum distance =  2.1922304186567 Angstroms
sigma value = 219


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

Energy: 1.2400116305987068
Energy: 1.4502083263298438
Energy: 1.4501820165069286
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Energy: 1.2576379386310126
Energy: 1.2379800216508312
Energy: 1.2619091982885022
Energy: 1.2576379386298315
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Energy: 1.2383093225663557
Energy: 1.4982239231033945
Energy: 1.450087309250591
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Energy: 1.4982239231033945
Energy: 1.450087309251772
Energy: 1.2383093225663557
Energy: 1.4982239231022136
Energy: 1.450087309250591
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Energy: 1.3460802459394443
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Energy: 1.4208661666978848
Energy: 1.3460802459394443
Energy: 1.3463269434809613
Energy: 1.4208661666978848
Energy: 1.3460802459418064

minimum gb energy = 1.2379800216496502 eV
minimum distance =  2.23412583548479 Angstroms
sigma value = 15


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

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Energy: 1.4606014902432585
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Energy: 1.4265574348898755
Energy: 1.4606014902411202
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minimum gb energy = 1.4068463883367135 eV
minimum distance =  2.17839627218134 Angstroms
sigma value = 293


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

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Energy: 1.512160958809938
Energy: 1.4728129756898445
Energy: 1.6531022773094326
Energy: 1.5514262034261246
Energy: 1.4728129756898445
Energy: 1.6531022773094326
Energy: 1.551426322498281
Energy: 1.4728129756898445
Energy: 1.6531022773094326
Energy: 1.5514262173439375
Energy: 1.4728129756898445
Energy: 1.5122002345175405
Energy: 1.4329344811613132
Energy: 1.5182417807157302
Energy: 1.5122002345175405
Energy: 1.4329344811613132
Energy: 1.5182417807157302
Energy: 1.512200234520208
Energy: 1.4329344811586457
Energy: 1.5182417807157302
Energy: 1.5122002345175405
Energy: 1.4264772905016554
Energy: 1.4350583274628113
Energy: 1.4247127164350055
Energy: 1.426477290498988
Energy: 1.4350583274628113
Energy: 1.424712716432338
Energy: 1.4264772905016554
Energy: 1.4350583274628113
Energy: 1.4247127164350055
Energy: 1.4264772904963205
Energy: 1.5095844187088188
Energy: 1.418812955023704
Energy: 1.6855634510800135
Energy: 1.5095844187114862
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Energy: 1.6855634510800135
Energy: 1.5095844187088188
Energy: 1.418812955023704
Energy: 1.6855634510800135
Energy: 1.5095844187114862
Energy: 1.6162870172161323
Energy: 1.4325922026188418
Energy: 1.4532416994863753
Energy: 1.6162870172161323
Energy: 1.4325922026188418
Energy: 1.4532416994837078
Energy: 1.616287017213465
Energy: 1.4325922026215092
Energy: 1.4532416994837078
Energy: 1.616287017213465
Energy: 1.5530411022610988
Energy: 1.5590684151199514
Energy: 1.5237066871470024
Energy: 1.5530411022610988
Energy: 1.5590684151199514
Energy: 1.5237066871470024
Energy: 1.5530411022610988
Energy: 1.5590684151172842
Energy: 1.5237066871470024
Energy: 1.5530411022610988
Energy: 1.4352330213675213
Energy: 1.432889318437044
Energy: 1.454172692004172
Energy: 1.4352330213648539
Energy: 1.432889318437044
Energy: 1.4541726920015048
Energy: 1.4352330213675213
Energy: 1.432889318437044
Energy: 1.4541726920015048
Energy: 1.4352330213675213
Energy: 1.5707006538465684
Energy: 1.4504761376216946
Energy: 1.4505185081475087
Energy: 1.5707006538465684
Energy: 1.4504761376216946
Energy: 1.4505185081475087
Energy: 1.5707006538465684
Energy: 1.450476137624362
Energy: 1.4505185081448413
Energy: 1.5707006538465684
Energy: 1.4352461885899082
Energy: 1.4540137820782681
Energy: 1.4328922559809882
Energy: 1.4352461885899082
Energy: 1.454013782072933
Energy: 1.4328922559809882
Energy: 1.4352461885899082
Energy: 1.4540137820782681
Energy: 1.4328922559809882
Energy: 1.4352461885899082
Energy: 1.5530339614950655
Energy: 1.5236867406198171
Energy: 1.5590586333293028
Energy: 1.5530339614950655
Energy: 1.5236867406198171
Energy: 1.5590586333293028
Energy: 1.5530339614950655
Energy: 1.5236867406198171
Energy: 1.5590586333293028
Energy: 1.5530339614950655
Energy: 1.6165625300256719
Energy: 1.4532105930518162
Energy: 1.4326199418828396
Energy: 1.6165625300256719
Energy: 1.4532105930544834
Energy: 1.4326199418828396
Energy: 1.6165625300256719
Energy: 1.4532105930518162
Energy: 1.4326199418855068
Energy: 1.6165625300283393
Energy: 1.5093597204048146
Energy: 1.6855738400430982
Energy: 1.418919382263071
Energy: 1.5093597204048146
Energy: 1.6855738400430982
Energy: 1.4189193822657384
Energy: 1.5093597204021472
Energy: 1.6855738400430982
Energy: 1.418919382263071
Energy: 1.5093597204048146

minimum gb energy = 1.418812955023704 eV
minimum distance =  2.27896741462815 Angstroms
sigma value = 293


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

Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4343054783298845
Energy: 1.433157891501291
Energy: 1.4342906291044284
Energy: 1.4343054783269917
Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4343054783298845
Energy: 1.433157891501291
Energy: 1.431304573752063
Energy: 1.4333038176309085
Energy: 1.4339671657072566
Energy: 1.4313045737530274
Energy: 1.4333038176299442
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Energy: 1.431304573752063
Energy: 1.4333038176309085
Energy: 1.4339671657072566
Energy: 1.4313045737530274
Energy: 1.431569242619792
Energy: 1.431602238290083
Energy: 1.3841418647097816
Energy: 1.431569242620756
Energy: 1.4316022382886366
Energy: 1.3841418649247155
Energy: 1.431569242619792
Energy: 1.431602238290083
Energy: 1.3841418652553117
Energy: 1.431569242620756
Energy: 1.3841356119689807
Energy: 1.4316036523597688
Energy: 1.4315588295628863
Energy: 1.384135612393983
Energy: 1.4316036523607332
Energy: 1.4315588295643327
Energy: 1.3841356117198174
Energy: 1.4316036523597688
Energy: 1.4315588295628863
Energy: 1.3841356119140202
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Energy: 1.4333025208620356
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Energy: 1.433973565891514
Energy: 1.4333025208605894
Energy: 1.431288439305376
Energy: 1.4339735658895856
Energy: 1.4333025208620356
Energy: 1.431288439305858
Energy: 1.433973565891514
Energy: 1.4342906291044284
Energy: 1.4343054783265097
Energy: 1.4331578915017733
Energy: 1.4342906291039461
Energy: 1.4343054783298845
Energy: 1.433157891501291
Energy: 1.4342906291039461
Energy: 1.4343054783269917
Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4333038176299442
Energy: 1.4339671657082207
Energy: 1.4313045737525454
Energy: 1.4333038176313906
Energy: 1.4339671657067743
Energy: 1.4313045737530274
Energy: 1.4333038176299442
Energy: 1.4339671657082207
Energy: 1.4313045737525454
Energy: 1.4333038176313906
Energy: 1.4316022382886366
Energy: 1.384141864798446
Energy: 1.431569242619792
Energy: 1.431602238290083
Energy: 1.3841418644688581
Energy: 1.431569242620756
Energy: 1.4316022382886366
Energy: 1.3841418651747994
Energy: 1.431569242619792
Energy: 1.431602238290083
Energy: 1.431603652360251
Energy: 1.4315588295648147
Energy: 1.3841356123997683
Energy: 1.431603652360251
Energy: 1.4315588295628863
Energy: 1.3841356122060475
Energy: 1.431603652360251
Energy: 1.4315588295648147
Energy: 1.3841356118547645
Energy: 1.431603652360251
Energy: 1.4333025208605894
Energy: 1.431288439305376
Energy: 1.4339735658891035
Energy: 1.4333025208620356
Energy: 1.431288439305858
Energy: 1.433973565891514
Energy: 1.4333025208605894
Energy: 1.431288439305376
Energy: 1.4339735658891035
Energy: 1.4333025208620356
Energy: 1.4343054783303668
Energy: 1.433157891501291
Energy: 1.4342906291044284
Energy: 1.4343054783265097
Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4343054783303668
Energy: 1.433157891501291
Energy: 1.4342906291044284
Energy: 1.4343054783269917
Energy: 1.4339671657072566
Energy: 1.4313045737530274
Energy: 1.4333038176299442
Energy: 1.4339671657077386
Energy: 1.4313045737525454
Energy: 1.4333038176309085
Energy: 1.4339671657072566
Energy: 1.4313045737530274
Energy: 1.4333038176299442
Energy: 1.4339671657082207
Energy: 1.3841418648249624
Energy: 1.431569242620756
Energy: 1.4316022382886366
Energy: 1.3841418649237511
Energy: 1.431569242619792
Energy: 1.431602238290083
Energy: 1.3841418642577812
Energy: 1.431569242620756
Energy: 1.4316022382886366
Energy: 1.3841418647998924
Energy: 1.4315588295628863
Energy: 1.3841356116301888
Energy: 1.4316036523597688
Energy: 1.4315588295638504
Energy: 1.3841356127178297
Energy: 1.4316036523597688
Energy: 1.431558829562404
Energy: 1.3841356118735668
Energy: 1.431603652360251
Energy: 1.4315588295643327
Energy: 1.431288439305376
Energy: 1.433973565891514
Energy: 1.4333025208605894
Energy: 1.431288439305376
Energy: 1.4339735658891035
Energy: 1.4333025208620356
Energy: 1.431288439305858
Energy: 1.433973565891514
Energy: 1.4333025208605894
Energy: 1.431288439305376
Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4343054783298845
Energy: 1.433157891501291
Energy: 1.4342906291044284
Energy: 1.4343054783265097
Energy: 1.4331578915017733
Energy: 1.4342906291039461
Energy: 1.4343054783298845
Energy: 1.433157891501291
Energy: 1.431304573752063
Energy: 1.4333038176313906
Energy: 1.4339671657072566
Energy: 1.4313045737525454
Energy: 1.4333038176304265
Energy: 1.4339671657082207
Energy: 1.431304573752063
Energy: 1.4333038176309085
Energy: 1.4339671657072566
Energy: 1.4313045737525454
Energy: 1.431569242619792
Energy: 1.431602238290565
Energy: 1.3841418647551003
Energy: 1.431569242620756
Energy: 1.4316022382896008
Energy: 1.3841418645844767
Energy: 1.431569242619792
Energy: 1.4316022382896008
Energy: 1.3841418639228458
Energy: 1.431569242620756
Energy: 1.3841356111974725
Energy: 1.4316036523597688
Energy: 1.4315588295628863
Energy: 1.3841356123848667
Energy: 1.4316036523597688
Energy: 1.4315588295643327
Energy: 1.384135612405554
Energy: 1.431603652360251
Energy: 1.4315588295628863
Energy: 1.3841356120576453
Energy: 1.4339735658891035
Energy: 1.4333025208620356
Energy: 1.431288439305376
Energy: 1.433973565891514
Energy: 1.4333025208605894
Energy: 1.431288439304894
Energy: 1.4339735658891035
Energy: 1.4333025208620356
Energy: 1.431288439305376
Energy: 1.433973565891514
Energy: 1.4342906291044284
Energy: 1.4343054783265097
Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4343054783298845
Energy: 1.433157891501291
Energy: 1.4342906291044284
Energy: 1.4343054783269917
Energy: 1.4331578915017733
Energy: 1.434290629103464
Energy: 1.4333038176299442
Energy: 1.4339671657082207
Energy: 1.431304573752063
Energy: 1.4333038176309085
Energy: 1.4339671657077386
Energy: 1.4313045737525454
Energy: 1.4333038176299442
Energy: 1.4339671657077386
Energy: 1.431304573752063
Energy: 1.4333038176309085

minimum gb energy = 1.3841356111974725 eV
minimum distance =  2.26277729027745 Angstroms
sigma value = 15


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

Energy: 1.4071988046117072
Energy: 1.4305924213935322
Energy: 1.4305086473007802
Energy: 1.4071988046117072
Energy: 1.4305924213913468
Energy: 1.4305086472854822
Energy: 1.4071988046117072
Energy: 1.4305924213935322
Energy: 1.4305086473007802
Energy: 1.4071988046117072
Energy: 1.419388693179315
Energy: 1.420351177584304
Energy: 1.5102473138465393
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Energy: 1.4203511775799331
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Energy: 1.420351177584304
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Energy: 1.5108864667289787
Energy: 1.3912333359852944
Energy: 1.6021371507447373
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Energy: 1.3789237282758955
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Energy: 1.6337773945976086
Energy: 1.3874941357899042
Energy: 1.5526855895593985
Energy: 1.6337773945976086
Energy: 1.3874941357877186
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Energy: 1.39826087630709
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Energy: 1.5462780556888323
Energy: 1.420293148836815
Energy: 1.5540080887601702
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Energy: 1.4504294720288873
Energy: 1.37782546824838
Energy: 1.4963971220236463
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Energy: 1.4963971220236463
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Energy: 1.4963971220214605
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Energy: 1.5637460304983046
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Energy: 1.5426782730945856
Energy: 1.60668648980643
Energy: 1.3795548134073599
Energy: 1.4999718057113294
Energy: 1.60668648980643
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Energy: 1.4999718057135147
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Energy: 1.3795548134051743
Energy: 1.4999718057091438
Energy: 1.60668648980643
Energy: 1.5237289712125568
Energy: 1.370897105557585
Energy: 1.5354720446008414
Energy: 1.5237289712125568
Energy: 1.370897105557585
Energy: 1.5354720446008414
Energy: 1.5237289712125568
Energy: 1.3708971055597705
Energy: 1.5354720446008414
Energy: 1.5237289712125568
Energy: 1.3849571334399429
Energy: 1.5445445308802515
Energy: 1.3939607715741844
Energy: 1.3849571334377573
Energy: 1.5445445308824368
Energy: 1.3939607715741844
Energy: 1.3849571334377573
Energy: 1.5445445308802515
Energy: 1.3939607715741844
Energy: 1.3849571334399429
Energy: 1.378185662314287
Energy: 1.562144183359309
Energy: 1.5353642929883855
Energy: 1.3781856623121014
Energy: 1.5621441833614942
Energy: 1.5353642929883855
Energy: 1.3781856623121014
Energy: 1.562144183359309
Energy: 1.5353642929883855
Energy: 1.3781856623121014
Energy: 1.4058378113449697
Energy: 1.5200629666682366
Energy: 1.4871290876450316
Energy: 1.4058378113471555
Energy: 1.5200629666682366
Energy: 1.4871290876450316
Energy: 1.4058378113449697
Energy: 1.5200629666682366
Energy: 1.4871290876450316
Energy: 1.4058378113449697
Energy: 1.406016485646269
Energy: 1.569677939942617
Energy: 1.5194725767182975
Energy: 1.4060164856440833
Energy: 1.5696779399163925
Energy: 1.5194725767182975
Energy: 1.406016485646269
Energy: 1.569677940473431
Energy: 1.5194725767182975
Energy: 1.4060164856440833
Energy: 1.3780759894070103
Energy: 1.665814229524934
Energy: 1.5262918344310823
Energy: 1.3780759894070103
Energy: 1.665814229524934
Energy: 1.5262918344332677
Energy: 1.3780759894091956
Energy: 1.6658142295227487
Energy: 1.5262918344288967
Energy: 1.3780759894048251
Energy: 1.3852909107479399
Energy: 1.3948866798591226
Energy: 1.5546861274009323
Energy: 1.3852909107479399
Energy: 1.394886679861308
Energy: 1.5546861274009323
Energy: 1.3852909107523108
Energy: 1.3948866798591226
Energy: 1.5546861274009323
Energy: 1.3852909107566813
Energy: 1.5253274197296134
Energy: 1.5353644930470998
Energy: 1.3708925887548866
Energy: 1.525327419727428
Energy: 1.5353644930492851
Energy: 1.3708925887548866
Energy: 1.5253274197296134
Energy: 1.5353644930470998
Energy: 1.3708925887505554
Energy: 1.525327419727428
Energy: 1.5498910543163547
Energy: 1.496273691865286
Energy: 1.3787778580049115
Energy: 1.5498910543141693
Energy: 1.496273691865286
Energy: 1.378777858007097
Energy: 1.5498910543097983
Energy: 1.496273691865286
Energy: 1.3787778580049115
Energy: 1.5498910543032423
Energy: 1.535846722013856
Energy: 1.537930509403619
Energy: 1.564169563280563
Energy: 1.5358467220116705
Energy: 1.537930509403619
Energy: 1.5641695632827486
Energy: 1.535846722013856
Energy: 1.5379305094014335
Energy: 1.5641695632827486
Energy: 1.5358467220116705
Energy: 1.564476367854206
Energy: 1.5025415634808574
Energy: 1.3783730343672045
Energy: 1.564476367849835
Energy: 1.5025415634808574
Energy: 1.3783730343672045
Energy: 1.5644763678454643
Energy: 1.5025415634808574
Energy: 1.3783730343672045
Energy: 1.564476367843279
Energy: 1.4337992809600986
Energy: 1.4082894533679562
Energy: 1.4160062683311208
Energy: 1.4337992809600986
Energy: 1.4082894533701416
Energy: 1.4160062683311208
Energy: 1.4337992809600986
Energy: 1.408289453372327
Energy: 1.4160062683311208
Energy: 1.4337992809600986
Energy: 1.542460741769149
Energy: 1.4096103820410089
Energy: 1.409698906694387
Energy: 1.542460741769149
Energy: 1.409610382043194
Energy: 1.4096989066965722
Energy: 1.542460741769149
Energy: 1.4096103820410089
Energy: 1.4096989066965722
Energy: 1.542460741769149
Energy: 1.6355166651740891
Energy: 1.379370181406014
Energy: 1.5039655802967193
Energy: 1.6355166651740891
Energy: 1.379370181406014
Energy: 1.5039655802967193
Energy: 1.6355166651740891
Energy: 1.379370181406014
Energy: 1.5039655802967193
Energy: 1.635516665171904
Energy: 1.391600724107509
Energy: 1.667155007708159
Energy: 1.3913084349156277
Energy: 1.3916007241053236
Energy: 1.66715500771253
Energy: 1.3913084349134426
Energy: 1.391600724107509
Energy: 1.6671550077147153
Energy: 1.3913084349156277
Energy: 1.3916007241053236
Energy: 1.5185856552643686
Energy: 1.377685981739414
Energy: 1.627752334250123
Energy: 1.5185856552621835
Energy: 1.377685981739414
Energy: 1.627752334250123
Energy: 1.5185856552621835
Energy: 1.377685981739414
Energy: 1.6277523342523084
Energy: 1.5185856552665542
Energy: 1.4084302169945735
Energy: 1.390066278947495
Energy: 1.5427922420524605
Energy: 1.4084302169967589
Energy: 1.39006627894968
Energy: 1.5427922420524605
Energy: 1.4084302169945735
Energy: 1.390066278947495
Energy: 1.5427922420524605
Energy: 1.4084302169945735
Energy: 1.5049103155019017
Energy: 1.4578717283017018
Energy: 1.39467992419954
Energy: 1.5049103155040873
Energy: 1.4578717283038871
Energy: 1.39467992419954
Energy: 1.5049103154997165
Energy: 1.4578717283017018
Energy: 1.39467992419954
Energy: 1.5049103154997165
Energy: 1.378444025092253
Energy: 1.4784728797857998
Energy: 1.3848846253209848
Energy: 1.378444025092253
Energy: 1.4784728797857998
Energy: 1.3848846253187992
Energy: 1.378444025092253
Energy: 1.4784728797857998
Energy: 1.3848846253209848
Energy: 1.378444025092253
Energy: 1.4059846544339316
Energy: 1.5192249533007447
Energy: 1.5834036174171366
Energy: 1.4059846544361172
Energy: 1.5192249532985593
Energy: 1.5834036174171366
Energy: 1.4059846544361172
Energy: 1.5192249533007447
Energy: 1.5834036174171366
Energy: 1.4059846544361172

minimum gb energy = 1.3697338643918482 eV
minimum distance =  2.19776530160285 Angstroms
sigma value = 437


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

Energy: 1.3660092371136137
Energy: 1.3644981872757185
Energy: 1.3645958890191963
Energy: 1.3660092371160024
Energy: 1.3644981872765147
Energy: 1.3645958890199925
Energy: 1.3660092371136137
Energy: 1.3644981872757185
Energy: 1.3645958890199925
Energy: 1.3660092371152062
Energy: 1.4788328036264249
Energy: 1.328169185089902
Energy: 1.5066227485782557
Energy: 1.478832803628017
Energy: 1.328169185089902
Energy: 1.5066227485758672
Energy: 1.4788328036256284
Energy: 1.328169185089106
Energy: 1.5066227485774597
Energy: 1.4788328036288132
Energy: 1.4631388977624313
Energy: 1.313577644958808
Energy: 1.6214557526597875
Energy: 1.4631388977616353
Energy: 1.3135776449604004
Energy: 1.6214557526597875
Energy: 1.4631388977624313
Energy: 1.313577644958808
Energy: 1.6214557526589912
Energy: 1.4631388977616353
Energy: 1.466677313498368
Energy: 1.562553934139785
Energy: 1.4478035972927978
Energy: 1.4666773135023488
Energy: 1.562553934141377
Energy: 1.4478035972896128
Energy: 1.4666773134991642
Energy: 1.562553934139785
Energy: 1.4478035972935936
Energy: 1.4666773135007565
Energy: 1.53559411148334
Energy: 1.350619588806276
Energy: 1.6806292088502404
Energy: 1.5355941114825442
Energy: 1.3506195888070722
Energy: 1.680629208852629
Energy: 1.53559411148334
Energy: 1.3506195888070722
Energy: 1.6806292088502404
Energy: 1.5355941114825442
Energy: 1.4149394798286765
Energy: 1.505585324676338
Energy: 1.3291433078408006
Energy: 1.4149394798286765
Energy: 1.50558532467793
Energy: 1.3291433078408006
Energy: 1.4149394798294728
Energy: 1.505585324676338
Energy: 1.3291433078408006
Energy: 1.414939479827084
Energy: 1.5241589205351131
Energy: 1.3779141584376302
Energy: 1.3135057500477278
Energy: 1.5241589205351131
Energy: 1.3779141584384262
Energy: 1.3135057500453393
Energy: 1.5241589205351131
Energy: 1.3779141584384262
Energy: 1.3135057500469318
Energy: 1.524158920534317
Energy: 1.445416589004331
Energy: 1.5232447752890728
Energy: 1.4399435023341267
Energy: 1.445416588999554
Energy: 1.5232447752890728
Energy: 1.4399435023333305
Energy: 1.445416589004331
Energy: 1.5232447752882765
Energy: 1.4399435023341267
Energy: 1.44541658900035
Energy: 1.722009995129158
Energy: 1.5046675281545563
Energy: 1.3513063743541456
Energy: 1.7220099951299543
Energy: 1.5046675281505757
Energy: 1.3513063743565343
Energy: 1.722009995129158
Energy: 1.5046675281537603
Energy: 1.351306374354942
Energy: 1.7220099951299543
Energy: 1.4477672765440832
Energy: 1.4982053892169702
Energy: 1.465328901251427
Energy: 1.4477672765480643
Energy: 1.498205389216174
Energy: 1.4653289012386883
Energy: 1.4477672765440832
Energy: 1.4982053892177665
Energy: 1.465328901237892
Energy: 1.4477672765480643
Energy: 1.4256258324577222
Energy: 1.391628093766355
Energy: 1.5417779086569865
Energy: 1.4256258324593147
Energy: 1.32680639532227
Energy: 1.541777908655394
Energy: 1.4256258324585185
Energy: 1.3268063953246585
Energy: 1.5417779086561902
Energy: 1.4256258324601108
Energy: 1.4980914764266398
Energy: 1.3298920442535953
Energy: 1.4865986173817833
Energy: 1.498091476423455
Energy: 1.329892044252799
Energy: 1.486598617380191
Energy: 1.4980914764266398
Energy: 1.329892044252799
Energy: 1.4865986173825796
Energy: 1.498091476423455
Energy: 1.3311899025470912
Energy: 1.4408573500481916
Energy: 1.3316668809569996
Energy: 1.3311899025502758
Energy: 1.440857280325904
Energy: 1.3316668809593881
Energy: 1.3311899025478875
Energy: 1.4408572366907928
Energy: 1.3316668809569996
Energy: 1.33118990254948
Energy: 1.3520746267506827
Energy: 1.368780626559461
Energy: 1.4407919601888235
Energy: 1.3520746267451096
Energy: 1.3687806265618496
Energy: 1.4407919601888235
Energy: 1.3520746267506827
Energy: 1.368780626558665
Energy: 1.4407919601888235
Energy: 1.3520746267443131

minimum gb energy = 1.3135057500453393 eV
minimum distance =  2.19118547478943 Angstroms
sigma value = 33