Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.653344042599202
cohesive_energy=3.2744465747796214
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.015209749408806556
Energy: 0.625479270736965
Energy: 0.6955567426354657
Energy: 0.6255033843476653
Energy: 0.015209749409781554
Energy: 0.62547927073599
Energy: 0.35989585028979953
Energy: 0.6945502366877683
Energy: 0.016549181423689458
Energy: 0.3180685663216908
Energy: 0.01591941494701521
Energy: 0.6945502366880191
Energy: 0.016549181424915165
Energy: 0.3180685663224429
Energy: 0.015209749408806556
Energy: 0.6254792707367143
Energy: 0.6955567426374435
Energy: 0.6255033843481388
Energy: 0.015209749410032268
Energy: 0.6254792707357393
Energy: 0.359895850290301
Energy: 0.6945502366880191
Energy: 0.016549181423689458
Energy: 0.3180685663219415
Energy: 0.01591941494701521
Energy: 0.6945502366880191
Energy: 0.016549181425388734
Energy: 0.31806856632291647
Energy: 0.015209749408806556
Energy: 0.6254792707367143
Energy: 1.4820899276492736
Energy: 0.6255033843478881
Energy: 0.015209749410032268
Energy: 0.6254792707357393
Energy: 0.35989585029005033
Energy: 0.6945502366875176
Energy: 0.016549181424163024
Energy: 0.3180685663219415
Energy: 0.01591941494701521
Energy: 0.6945502366877683
Energy: 0.01654918142441374
Energy: 0.3180685663226658

minimum gb energy = 0.015209749408806556 eV
minimum distance =  2.56562568267485 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5059753651411487
Energy: 1.408137905518433
Energy: 1.4324466971818315
Energy: 1.4080396371834092
Energy: 1.5059753651471384
Energy: 1.4081379055274177
Energy: 1.4324466971788365
Energy: 1.40048248793283
Energy: 1.3861248232378942
Energy: 1.4266177179058739
Energy: 1.4079323676300532
Energy: 1.400482487929835
Energy: 1.3861248232378942
Energy: 1.4266177179178534
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Energy: 1.4113762088784834
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Energy: 1.4113762088904085
Energy: 1.3870757809548357
Energy: 1.464292019690913
Energy: 1.430667750191128
Energy: 1.4136116246042987
Energy: 1.4336530522738722
Energy: 1.4642920196849234
Energy: 1.430667750197118
Energy: 1.4136116246013037
Energy: 1.4378418775498916
Energy: 1.3916582966411941
Energy: 1.389510006228947
Energy: 1.3989723579922257
Energy: 1.437841877534917
Energy: 1.3916582966531732
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Energy: 1.409086829055965
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Energy: 1.3801359135129736
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Energy: 1.4220139716504305
Energy: 1.4171186618512042
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Energy: 1.3898617630110437
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Energy: 1.3804450172169662
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Energy: 1.4232906542696775
Energy: 1.3804450172079814
Energy: 1.4937418569471081
Energy: 1.3944016467699303
Energy: 1.418563580486593
Energy: 1.363547539570201
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Energy: 1.3944016467699303
Energy: 1.4185635804746135
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Energy: 1.4804195422962754
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Energy: 1.3891383449642398
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Energy: 1.4086674078160883
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Energy: 1.406143004022748
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Energy: 1.4318441723816846
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Energy: 1.3791281216865812
Energy: 1.4318441723816846
Energy: 1.4398406018892005
Energy: 1.3965595010391185
Energy: 1.4134396091522172
Energy: 1.4157861786742172
Energy: 1.390589554957394
Energy: 1.396559501033129
Energy: 1.413439609143287
Energy: 1.4157861786832016
Energy: 1.4173844316463684
Energy: 1.4632063233053858
Energy: 1.369991470527461
Energy: 1.4369109930112203
Energy: 1.4173844316343889
Energy: 1.4632063233053858
Energy: 1.3699914705184766
Energy: 1.390201101343999
Energy: 1.3666912892914143
Energy: 1.4039528936408816
Energy: 1.4064623011209745
Energy: 1.3902011013559785
Energy: 1.3666912893003444
Energy: 1.4039528936438765
Energy: 1.4155043634058488
Energy: 1.4221649642879273
Energy: 1.4075292017616734
Energy: 1.420963626800106
Energy: 1.4155043633998592
Energy: 1.4221649642879273
Energy: 1.4075292017646683
Energy: 1.4479488399616003
Energy: 1.4102789607506498
Energy: 1.421582176383873
Energy: 1.3726911407733122
Energy: 1.4479488399526157
Energy: 1.4102789607506498
Energy: 1.421582176377883
Energy: 1.4398451748726773
Energy: 1.437041190560424
Energy: 1.3987986887528694
Energy: 1.4480121572163378
Energy: 1.4398451748786671
Energy: 1.4370411905484446
Energy: 1.398798688764849
Energy: 1.411670372434955
Energy: 1.4180292339283829
Energy: 1.4001914932505894
Energy: 1.4258606687248208
Energy: 1.411670372440945
Energy: 1.418029233913463
Energy: 1.400191493256579
Energy: 1.3789351172908544
Energy: 1.4333344829727934
Energy: 1.3894632896546812
Energy: 1.4302178135137475
Energy: 1.378935117299839
Energy: 1.4333344829668038
Energy: 1.3894632896486914
Energy: 1.4355828866805824
Energy: 1.4275830467328028
Energy: 1.4139233367239163
Energy: 1.427713956322798
Energy: 1.4355828866745926
Energy: 1.4275830467357977
Energy: 1.4139233367269115
Energy: 1.3794947686598462
Energy: 1.4286511034763532
Energy: 1.4082467132852394
Energy: 1.422838908429953
Energy: 1.3794947686448717
Energy: 1.428651103485338
Energy: 1.408246713294224

minimum gb energy = 1.363547539570201 eV
minimum distance =  2.28365967230812 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4245813401177971
Energy: 1.4897932124032234
Energy: 1.4126266608109006
Energy: 1.4844048961638352
Energy: 1.4245813401198366
Energy: 1.4897932124005038
Energy: 1.4126266608132803
Energy: 1.4106979415847496
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Energy: 1.444565681180944
Energy: 1.4531868345541137
Energy: 1.4106979415789704
Energy: 1.4865068837419118
Energy: 1.4445656811843435
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Energy: 1.401825973570919
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Energy: 1.4701340293936895
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Energy: 1.4018259735729586
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Energy: 1.4105175977481421
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Energy: 1.4393994536626853
Energy: 1.398889837383519
Energy: 1.4360985347104438
Energy: 1.4111831399158827
Energy: 1.4318573478405348
Energy: 1.398889837385559
Energy: 1.4360985347084039
Energy: 1.4111831399152028
Energy: 1.401668876838968
Energy: 1.4370041273597038
Energy: 1.4223017174009331
Energy: 1.4855846142415006
Energy: 1.401668876840668
Energy: 1.4370041273566445
Energy: 1.4223017174009331
Energy: 1.4025885486254877
Energy: 1.4804922388696604
Energy: 1.4419392922360432
Energy: 1.4854181948933391
Energy: 1.402588548625148
Energy: 1.4804922388703405
Energy: 1.4419392922357035
Energy: 1.4025734405737629
Energy: 1.4361652972600305
Energy: 1.4433194019612794
Energy: 1.483975899301221
Energy: 1.4025734405710435
Energy: 1.4361652972607102
Energy: 1.4433194019588995
Energy: 1.4019339843013257
Energy: 1.4534951964451257
Energy: 1.428542584795645
Energy: 1.485796076087722
Energy: 1.4019339843013257
Energy: 1.4534951964400267
Energy: 1.4285425847963247
Energy: 1.4220759576768072
Energy: 1.475554036913453
Energy: 1.4590532442411552
Energy: 1.4895710939740947
Energy: 1.4220759576791868
Energy: 1.4755540369161724
Energy: 1.459053244241835
Energy: 1.427259165134245
Energy: 1.4897932124048925
Energy: 1.393037613909471
Energy: 1.4844048961607756
Energy: 1.427259165134245
Energy: 1.489793212400164
Energy: 1.3930376139064111
Energy: 1.4106979415837295
Energy: 1.4865068837422515
Energy: 1.4445656811785643
Energy: 1.4551656717596613
Energy: 1.4106979415806702
Energy: 1.4865068837412319
Energy: 1.444565681181964

minimum gb energy = 1.3930376139036915 eV
minimum distance =  2.31607974790552 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.5759697032045032
Energy: 1.484994205681814
Energy: 1.5143106537672513
Energy: 1.460928861488725
Energy: 1.575969703205681
Energy: 1.484994205682599
Energy: 1.5143106537711766
Energy: 1.537286129908938
Energy: 1.4889362047331423
Energy: 1.5026414738361418
Energy: 1.5021159317514312
Energy: 1.537286129908545
Energy: 1.4889362047311796
Energy: 1.502641473836927
Energy: 1.5207401827167044
Energy: 1.4324133642366323
Energy: 1.5799786081579257
Energy: 1.4617567448468354
Energy: 1.5207401827139566
Energy: 1.4324133642346697
Energy: 1.57875749457644
Energy: 1.4818531927815526
Energy: 1.471062881644125
Energy: 1.4826671455991312
Energy: 1.4377312686880943
Energy: 1.4818531927807674
Energy: 1.4710628816445177
Energy: 1.4826671456007015
Energy: 1.5240198495960693
Energy: 1.4610744117386891
Energy: 1.534068767697369
Energy: 1.467442983341842
Energy: 1.5240198495976394
Energy: 1.4610744117402592
Energy: 1.530789556013279
Energy: 1.4830158892849619
Energy: 1.4793526795748877
Energy: 1.4375704511648806
Energy: 1.4380835211692076
Energy: 1.4830158892841767
Energy: 1.47935267957528
Energy: 1.4375704511644882
Energy: 1.5138063588687278
Energy: 1.4879034874748907
Energy: 1.4801610473671676
Energy: 1.4688196612407183
Energy: 1.5138063588722608
Energy: 1.4879034874760684
Energy: 1.4473063691237165
Energy: 1.4577865279560316
Energy: 1.4529436375173443
Energy: 1.4716997963814784
Energy: 1.4718733813793816
Energy: 1.4577865279552462
Energy: 1.4529436375181297
Energy: 1.4716997963842262
Energy: 1.4892878525842004
Energy: 1.4944111140316345
Energy: 1.487843250930424
Energy: 1.444740797968427
Energy: 1.4892878525822377
Energy: 1.4944111140312422
Energy: 1.4878432509288542
Energy: 1.44517132324921
Energy: 1.4932660670134326
Energy: 1.5606402491970297
Energy: 1.4767350362052567
Energy: 1.4451713232496026
Energy: 1.4932660670118625
Energy: 1.560640249195067
Energy: 1.5745569372335004
Energy: 1.4878074517932511
Energy: 1.4590247172007185
Energy: 1.431698350589983
Energy: 1.5745569372323227
Energy: 1.4878074517956064
Energy: 1.4590247171999335
Energy: 1.5094340461525244
Energy: 1.5148258545004074
Energy: 1.514818484624078
Energy: 1.529123076368274
Energy: 1.5094340461521316
Energy: 1.5148258545000146
Energy: 1.5148184846213302
Energy: 1.528691476373649
Energy: 1.4919643065393005
Energy: 1.5756713686032755
Energy: 1.4991549630775596
Energy: 1.5286914763732562
Energy: 1.4919643065373378
Energy: 1.5756713686020976
Energy: 1.468659238213584
Energy: 1.433624993410881
Energy: 1.5283662222924548
Energy: 1.4796844311144282
Energy: 1.4686592382112282
Energy: 1.4336249934132361
Energy: 1.5283662222936323
Energy: 1.5395019222693078
Energy: 1.4654941733078237
Energy: 1.4916813530002513
Energy: 1.3691108041871465
Energy: 1.5395019222685227
Energy: 1.4654941733082163
Energy: 1.4916813529978963
Energy: 1.4866534084862193
Energy: 1.4979752497640952
Energy: 1.5142604500997263
Energy: 1.505998794863822
Energy: 1.4866534084862193
Energy: 1.4979752497656658
Energy: 1.5142604501005115
Energy: 1.4897420091041986
Energy: 1.4801734064547485
Energy: 1.437292070497022
Energy: 1.49547072938211
Energy: 1.489742009102236
Energy: 1.4801734064563188
Energy: 1.4372920704978072
Energy: 1.4750960128681898
Energy: 1.4933124051706557
Energy: 1.5594155737906579
Energy: 1.465362497247177
Energy: 1.4750960128658346
Energy: 1.493312405173778
Energy: 1.559415573792228
Energy: 1.5245735250956995
Energy: 1.4574198963214366
Energy: 1.4956387173409593
Energy: 1.4423539469656161
Energy: 1.5245735250972696
Energy: 1.4574198963182963
Energy: 1.4956387173425296
Energy: 1.478264367308391
Energy: 1.4651690346393407
Energy: 1.472340717251385
Energy: 1.441690233555378
Energy: 1.4782643673076061
Energy: 1.465169034637378
Energy: 1.4723407172533478
Energy: 1.5134860074697276
Energy: 1.4897896526448828
Energy: 1.4717421552119216
Energy: 1.4542882754335238
Energy: 1.5134860074689425
Energy: 1.4897896526460603
Energy: 1.4717421552138843
Energy: 1.4689766823144328
Energy: 1.4877808769532943
Energy: 1.447054273691472
Energy: 1.4371202251775232
Energy: 1.4689766823136479
Energy: 1.4877808769517242
Energy: 1.4470542736902943
Energy: 1.5085333248833097
Energy: 1.4425777137102127
Energy: 1.514791102972383
Energy: 1.4607632879228842
Energy: 1.5085333248817394
Energy: 1.4425777137102127
Energy: 1.5147911029704202
Energy: 1.4723565819027795
Energy: 1.4693264958066814
Energy: 1.4613781922174018
Energy: 1.4828898214113204
Energy: 1.4723565819023867
Energy: 1.4693264958086443
Energy: 1.4613781922162243
Energy: 1.4817088762548403
Energy: 1.446106339387567
Energy: 1.4692017910718709
Energy: 1.5100741410628962
Energy: 1.4817088762532704
Energy: 1.4461063393879596
Energy: 1.469201791074226
Energy: 1.4797294193631139
Energy: 1.482885175968655
Energy: 1.5009624438818867
Energy: 1.5171009735064946
Energy: 1.4797294193642916
Energy: 1.4828851759690476
Energy: 1.5009624438807092
Energy: 1.5760351362236698
Energy: 1.4840298881490264
Energy: 1.4995914433122168
Energy: 1.4646991642577265
Energy: 1.5760351362252398
Energy: 1.4840298881486338
Energy: 1.4995914433126094
Energy: 1.60831974125907
Energy: 1.4724931896800093
Energy: 1.4638645033907698
Energy: 1.4811409903742774
Energy: 1.608319741258285
Energy: 1.4724931896792242
Energy: 1.4638645033899846
Energy: 1.5295800228216414
Energy: 1.4452343625857988
Energy: 1.5523346300031504
Energy: 1.450557939089984
Energy: 1.5295800228224266
Energy: 1.4452343625865838
Energy: 1.5523346300004024
Energy: 1.4859640595981747
Energy: 1.4930387943067718
Energy: 1.485194148484826
Energy: 1.4391056631531371
Energy: 1.4859640595989596
Energy: 1.4930387943063794
Energy: 1.485194148484433
Energy: 1.515677829214402
Energy: 1.461070328974341
Energy: 1.5126105347438126
Energy: 1.4675351036528999
Energy: 1.5156778292147948
Energy: 1.4610703289739486
Energy: 1.51261053474499
Energy: 1.4832291880269848
Energy: 1.4688853515213955
Energy: 1.434809232353593
Energy: 1.4613793609963763
Energy: 1.4832291880250221
Energy: 1.468885351519433
Energy: 1.4348092323520227
Energy: 1.5005996499252365
Energy: 1.510439146444755
Energy: 1.4903313959060493
Energy: 1.4689056813908246
Energy: 1.5005996499244512
Energy: 1.5104391464435776
Energy: 1.4903313959048718
Energy: 1.4558571177444521
Energy: 1.4848439068721087
Energy: 1.4683013904248443
Energy: 1.444861296864455
Energy: 1.455857117742097
Energy: 1.4848439068721087
Energy: 1.4683013904232742
Energy: 1.527149541252601
Energy: 1.4988504520691495
Energy: 1.5076011935903793
Energy: 1.4438997104329085
Energy: 1.5271495412529934
Energy: 1.4988504520699346
Energy: 1.5076011935915568
Energy: 1.445355530327086
Energy: 1.4775332323256938
Energy: 1.5519162811832874
Energy: 1.4543830315897028
Energy: 1.4453555303290486
Energy: 1.477533232326479
Energy: 1.5519162811848572

minimum gb energy = 1.3691108041871465 eV
minimum distance =  2.29490550059181 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.4723946583784209
Energy: 1.4936289170323473
Energy: 1.49262388690013
Energy: 1.4936731524392808
Energy: 1.4723946583816638
Energy: 1.4936289170323473
Energy: 1.5208684495815286
Energy: 1.4577891850088869
Energy: 1.4655494855288895
Energy: 1.3202909512360859
Energy: 1.4661693657440489
Energy: 1.457789185004717
Energy: 1.4655494855312057
Energy: 1.3202909512402556
Energy: 1.4725767678026835
Energy: 1.357180917557451
Energy: 1.372522470474027
Energy: 1.493878916262632
Energy: 1.4725767678022201
Energy: 1.3571809175569878
Energy: 1.372522470465688
Energy: 1.4567249504957376
Energy: 1.467029592318948
Energy: 1.32057080195842
Energy: 1.4388644217828952
Energy: 1.4567249504962005
Energy: 1.4670295923194114
Energy: 1.3205708019579565
Energy: 1.4932063970836917
Energy: 1.4937114747729006
Energy: 1.4222266407355104
Energy: 1.4939257707321114
Energy: 1.4932063970864713
Energy: 1.4937114747645615
Energy: 1.422226640740143
Energy: 1.4567333864600254
Energy: 1.466520169959775
Energy: 1.514808370726096
Energy: 1.440464357221295
Energy: 1.4567333864572454
Energy: 1.4665201699514363
Energy: 1.514808370733045
Energy: 1.575509064064323
Energy: 1.4936324420546427
Energy: 1.49511985429858
Energy: 1.4937867859720009
Energy: 1.5755090640606166
Energy: 1.4936324420537157
Energy: 1.4786927902715943
Energy: 1.4564969759707358
Energy: 1.3346465760439492
Energy: 1.416343194724331
Energy: 1.3346051041163283
Energy: 1.4564969759744422
Energy: 1.334646576052751
Energy: 1.4163431947298903
Energy: 1.575729176518731
Energy: 1.4938236567433398
Energy: 1.4358565033114852
Energy: 1.4936202759405621
Energy: 1.5757291765150245
Energy: 1.49382365674195
Energy: 1.4516442662755695
Energy: 1.4569008740135176
Energy: 1.4401119220753673
Energy: 1.5148261205895568
Energy: 1.4665028472078467
Energy: 1.4569008740125913
Energy: 1.4401119220804632
Energy: 1.5148261205853875
Energy: 1.4935243891821461
Energy: 1.4941133325553502
Energy: 1.3609677460282008
Energy: 1.4936770103839723
Energy: 1.493524389181683
Energy: 1.4941133325562765
Energy: 1.4243461304179061
Energy: 1.4568752032632293
Energy: 1.4388966948302264
Energy: 1.3203600725079028
Energy: 1.4683651474654025
Energy: 1.4568752032632293
Energy: 1.438896694826057
Energy: 1.3203600725065128
Energy: 1.4723275681574188
Energy: 1.4938598655712882
Energy: 1.46346112568721
Energy: 1.3572816997158426
Energy: 1.4723275681606616
Energy: 1.4938598655745314
Energy: 1.4634611256899899
Energy: 1.4578072706111582
Energy: 1.4663616251183131
Energy: 1.320548260440966
Energy: 1.4659263117863024
Energy: 1.457807270606989
Energy: 1.466361625119703
Energy: 1.320548260442356
Energy: 1.4723946583751781
Energy: 1.4936289170328108
Energy: 1.522358166001776
Energy: 1.4936731524388174
Energy: 1.4723946583798107
Energy: 1.4936289170318842
Energy: 1.5111184616237847
Energy: 1.457789185011203
Energy: 1.4655494855274998
Energy: 1.320290951234696
Energy: 1.466169365745902
Energy: 1.4577891850051805
Energy: 1.4655494855302793
Energy: 1.320290951239329
Energy: 1.4725767678040733
Energy: 1.357180917554208
Energy: 1.3725224704731007
Energy: 1.493878916262632
Energy: 1.4725767678031467
Energy: 1.357180917557451
Energy: 1.372522470467078
Energy: 1.4567249504971271
Energy: 1.467029592305513
Energy: 1.32057080195842
Energy: 1.4388644217838218
Energy: 1.4567249504957376
Energy: 1.4670295923027334
Energy: 1.3205708019574933
Energy: 1.493206397084155
Energy: 1.4937114747724372
Energy: 1.4222266407373634
Energy: 1.4939257707325324
Energy: 1.493206397084155
Energy: 1.4937114747640983
Energy: 1.4222266407429225
Energy: 1.456733386459562
Energy: 1.466520169959775
Energy: 1.5148083707265592
Energy: 1.440464357221758
Energy: 1.4567333864577088
Energy: 1.466520169950973
Energy: 1.514808370733045
Energy: 1.5755090640633962
Energy: 1.493632442055106
Energy: 1.443292034085376
Energy: 1.493786785972464
Energy: 1.5755090640601535
Energy: 1.4936324420523261
Energy: 1.4432920340775006
Energy: 1.4564969759711992
Energy: 1.3346465760425592
Energy: 1.4163431947252574
Energy: 1.3346051041172124
Energy: 1.4564969759749054
Energy: 1.3346465760518245
Energy: 1.4163431947303537
Energy: 1.5757291765131716
Energy: 1.4938236567414866
Energy: 1.372066485726872
Energy: 1.4936202759405621
Energy: 1.5757291765113184
Energy: 1.49382365674056
Energy: 1.3720664857240923
Energy: 1.4569008740135176
Energy: 1.440111922076294
Energy: 1.5148261205890934
Energy: 1.4665028472078467
Energy: 1.4569008740125913
Energy: 1.4401119220813898
Energy: 1.514826120588167
Energy: 1.4935243891890955
Energy: 1.4941133325585927
Energy: 1.3717967118004242
Energy: 1.4936770103848989
Energy: 1.493524389186779
Energy: 1.494113332559056
Energy: 1.3717967118004242
Energy: 1.456875203264156
Energy: 1.4388966948316162
Energy: 1.3203600725079028
Energy: 1.4683651474658654
Energy: 1.456875203264156
Energy: 1.4388966948265203
Energy: 1.3203600725060498
Energy: 1.4723275681588084
Energy: 1.4938598655712882
Energy: 1.3702897216162406
Energy: 1.3572816997167692
Energy: 1.4723275681615882
Energy: 1.4938598655736048
Energy: 1.3702897216092913
Energy: 1.4578072706102319
Energy: 1.4663616251192397
Energy: 1.320548260442356
Energy: 1.4659263117863024
Energy: 1.4578072706055991
Energy: 1.4663616251192397
Energy: 1.3205482604418926
Energy: 1.472394658377031
Energy: 1.493628917031421
Energy: 1.5406633133002998
Energy: 1.4936731524383542
Energy: 1.4723946583821272
Energy: 1.493628917031421
Energy: 1.5406633132998366
Energy: 1.4577891850088869
Energy: 1.4655494855270366
Energy: 1.3202909512356225
Energy: 1.466169365745902
Energy: 1.457789185004254
Energy: 1.465549485531669
Energy: 1.3202909512407188

minimum gb energy = 1.320290951234696 eV
minimum distance =  2.32332685913428 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.56402637427883
Energy: 1.4364295100639521
Energy: 1.464550787181665
Energy: 1.4365071616837028
Energy: 1.56402637427883
Energy: 1.436429510064489
Energy: 1.464550787181665
Energy: 1.5405703816673657
Energy: 1.424607327650471
Energy: 1.2774473624305487
Energy: 1.4246077383041282
Energy: 1.5405703816662664
Energy: 1.4246073276470963
Energy: 1.27744736243561
Energy: 1.5400428549331295
Energy: 1.4025794411783392
Energy: 1.3861462127678614
Energy: 1.4426579498017014
Energy: 1.5400428549342542
Energy: 1.4025794411777768
Energy: 1.3861462127695485
Energy: 1.5403666225983115
Energy: 1.433901602846415
Energy: 1.3643532504051494
Energy: 1.4250493919481029
Energy: 1.5403666225966244
Energy: 1.4339016028452902
Energy: 1.3643532504051494
Energy: 1.4499136205648815
Energy: 1.364196860737082
Energy: 1.411364497888856
Energy: 1.3637930219807697
Energy: 1.4499136205654435
Energy: 1.364196860738207
Energy: 1.411364497890543
Energy: 1.5402282006376102
Energy: 1.3729003801449657
Energy: 1.551392305700038
Energy: 1.4255241903712055
Energy: 1.5402282006387353
Energy: 1.3729003801404667
Energy: 1.5513923057006003
Energy: 1.49650961421332
Energy: 1.3640268000406353
Energy: 1.4603189958945904
Energy: 1.4593050617591201
Energy: 1.496509614211071
Energy: 1.3640268000389484
Energy: 1.4603189958974025
Energy: 1.4944596784554725
Energy: 1.4447862260117676
Energy: 1.5511548168678237
Energy: 1.4258729860539792
Energy: 1.4944596784515356
Energy: 1.44478622601233
Energy: 1.5511548168655744
Energy: 1.4964685791297616
Energy: 1.425435447270164
Energy: 1.3998318665228426
Energy: 1.4581479258317493
Energy: 1.4964685791297616
Energy: 1.4254354472724133
Energy: 1.3998318665217175
Energy: 1.4961988499910104
Energy: 1.4485383665082026
Energy: 1.3471819114933425
Energy: 1.425682356925957
Energy: 1.496198849992135
Energy: 1.4485383665098899
Energy: 1.3471819114916552
Energy: 1.477760342302723
Energy: 1.433476690637116
Energy: 1.4783936590585982
Energy: 1.4311004688418283
Energy: 1.4777603423032855
Energy: 1.4334766906376784
Energy: 1.4783936590552236
Energy: 1.358968720341028
Energy: 1.4479272854625485
Energy: 1.3680548924975864
Energy: 1.3657325759701093
Energy: 1.3589687203404912
Energy: 1.4479272854631104
Energy: 1.3680548924964617
Energy: 1.5287993475410189
Energy: 1.432416653052284
Energy: 1.4936169108523587
Energy: 1.4240064280859512
Energy: 1.528799347542706
Energy: 1.4324166530539457
Energy: 1.4782693726687473
Energy: 1.3588988180770674
Energy: 1.4481664860508907
Energy: 1.447713503940839
Energy: 1.36633742692833
Energy: 1.3588988180765047
Energy: 1.4481664860520154
Energy: 1.4477135039419637
Energy: 1.5389195015734876
Energy: 1.3802312874225073
Energy: 1.3640202981244578
Energy: 1.4248247445655702
Energy: 1.538919501572363
Energy: 1.3802312874202582
Energy: 1.3640202981216458
Energy: 1.3593833150583696
Energy: 1.491618088509722
Energy: 1.446887703714072
Energy: 1.4521630885699919
Energy: 1.3593833150578074
Energy: 1.4916180885074726
Energy: 1.4468877037090104
Energy: 1.5390384274961273
Energy: 1.3806708710575684
Energy: 1.4859746248642434
Energy: 1.4247589921040937
Energy: 1.5390384274944402
Energy: 1.380670871058693
Energy: 1.4859746248625563
Energy: 1.3593888552936644
Energy: 1.4468615400644298
Energy: 1.4215098314711974
Energy: 1.45135981774175
Energy: 1.3593888552897277
Energy: 1.4468615400610554
Energy: 1.4215098314689478
Energy: 1.5397485534738489
Energy: 1.3782735922357718
Energy: 1.5537233692257244
Energy: 1.4249892272309637
Energy: 1.5397485534738489
Energy: 1.378273592236334
Energy: 1.5537233692296608
Energy: 1.3594148834192876
Energy: 1.5136917328777697
Energy: 1.3989366762005806
Energy: 1.5135840094323458
Energy: 1.359414883418725
Energy: 1.5136917328755204
Energy: 1.3989366762011426
Energy: 1.5396060840360604
Energy: 1.4250948413758497
Energy: 1.5537763630688863
Energy: 1.3781830223583136
Energy: 1.5396060840366226
Energy: 1.4250948413780993
Energy: 1.5537763630666366
Energy: 1.3594161992043805
Energy: 1.4514176053370986
Energy: 1.4210778832239026
Energy: 1.4467047294166673
Energy: 1.3594161992060676
Energy: 1.4514176053354115
Energy: 1.4210778832250275
Energy: 1.5389491379268305
Energy: 1.4247532601467259
Energy: 1.5165178075798609
Energy: 1.380709900122209
Energy: 1.53894913792908
Energy: 1.4247532601467259
Energy: 1.5165178075792982
Energy: 1.3593666870643204
Energy: 1.450816385890089
Energy: 1.4471371794609127
Energy: 1.4913920811041672
Energy: 1.3593666870615084
Energy: 1.4508163858867145
Energy: 1.4471371794609127
Energy: 1.5388777175918504
Energy: 1.4248260567906075
Energy: 1.368956928849181
Energy: 1.3782044596427774
Energy: 1.5388777175918504
Energy: 1.4248260567906075
Energy: 1.284632272757635

minimum gb energy = 1.2774473624305487 eV
minimum distance =  2.36108879025318 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.3345790204788337
Energy: 1.4083729957215818
Energy: 1.299061288425897
Energy: 1.4082966822219374
Energy: 1.334579020477293
Energy: 1.4083729957278597
Energy: 1.2990612884189918
Energy: 1.4705752209942153
Energy: 1.4173037346990736
Energy: 1.278456480470363
Energy: 1.417212383215642
Energy: 1.4705752209854268
Energy: 1.4173037346890296
Energy: 1.278456480478524
Energy: 1.3346298882761327
Energy: 1.3101772063975428
Energy: 1.2563621908591294
Energy: 1.3815356085920112
Energy: 1.3346298882720238
Energy: 1.3101772063871566
Energy: 1.2563621907351785
Energy: 1.2923760869998855
Energy: 1.4171127668783976
Energy: 1.2868899468282853
Energy: 1.4187944671574226
Energy: 1.2923760870108425
Energy: 1.4171127668834196
Energy: 1.2868899468238912
Energy: 1.315867130380833
Energy: 1.3018074710293073
Energy: 1.2992261681842594
Energy: 1.2895086654372077
Energy: 1.3158671303852272
Energy: 1.3018074710308478
Energy: 1.299226168174843
Energy: 1.2925171609166224
Energy: 1.3293691924116304
Energy: 1.3591499136685963
Energy: 1.35799672015393
Energy: 1.2925171609116006
Energy: 1.3293691924144266
Energy: 1.3591499136695664
Energy: 1.3058040226451069
Energy: 1.3018812394837778
Energy: 1.2578942321391946
Energy: 1.306043307409736
Energy: 1.3058040226466479
Energy: 1.3018812394802965
Energy: 1.257894232135428
Energy: 1.308378174898309
Energy: 1.3412758260560158
Energy: 1.3473469468685866
Energy: 1.336800034545396
Energy: 1.3083781748942571
Energy: 1.3412758260560158
Energy: 1.3473469468795436
Energy: 1.3060732787353178
Energy: 1.316556567077408
Energy: 1.4154632674808993
Energy: 1.2943482811140763
Energy: 1.3060732787406821
Energy: 1.3165565670849408
Energy: 1.4154632674730812
Energy: 1.29226501501735
Energy: 1.3412738691016677
Energy: 1.3573090673442032
Energy: 1.3554565382656345
Energy: 1.2922650150192334
Energy: 1.3412738691117114
Energy: 1.357309067332904
Energy: 1.3035949528108104
Energy: 1.347278730869037
Energy: 1.368204132656432
Energy: 1.2943796781255277
Energy: 1.30359495280984
Energy: 1.3472787308838177
Energy: 1.36820413266425
Energy: 1.2922819124418101
Energy: 1.3227243318132837
Energy: 1.3258239678271413
Energy: 1.3368391333506648
Energy: 1.2922819124389568
Energy: 1.3227243318173927
Energy: 1.3258239678305652
Energy: 1.3031087627274354
Energy: 1.287866640661468
Energy: 1.3685711051648628
Energy: 1.3236818788814009
Energy: 1.3031087627312021
Energy: 1.2878666406523374
Energy: 1.3685711051610963
Energy: 1.3386945260610392
Energy: 1.3734734054638873
Energy: 1.3558278912169803
Energy: 1.3445938212939068
Energy: 1.3386945260632077
Energy: 1.3734734054676538
Energy: 1.3558278911975203
Energy: 1.3032293831005366
Energy: 1.331661142668648
Energy: 1.3806433490413026
Energy: 1.377715269797695
Energy: 1.3032293830932893
Energy: 1.3316611426733842
Energy: 1.3806433490359382
Energy: 1.3388543456723785
Energy: 1.3227481557415797
Energy: 1.3397943505253864
Energy: 1.3232554293219994
Energy: 1.338854345669582
Energy: 1.3227481557378131
Energy: 1.3397943505247587
Energy: 1.3384372914450364
Energy: 1.3590861222408717
Energy: 1.418759648231472
Energy: 1.323684867309771
Energy: 1.3384372914522271
Energy: 1.3590861222396162
Energy: 1.4187596482408882
Energy: 1.2933607784283552
Energy: 1.3224002316144297
Energy: 1.3409612791300909
Energy: 1.2953886981246734
Energy: 1.2933607784296106
Energy: 1.322400231618196
Energy: 1.3409612791369963
Energy: 1.3383302257318943
Energy: 1.3222802493248766
Energy: 1.3397476344162305
Energy: 1.3376514987480974
Energy: 1.3383302257083822
Energy: 1.3222802493245343
Energy: 1.339747634401792
Energy: 1.2934575010885458
Energy: 1.3206296488564786
Energy: 1.353401025722667
Energy: 1.3201809373420101
Energy: 1.2934575010822686
Energy: 1.3206296488615006
Energy: 1.3534010257245501
Energy: 1.337871462205077
Energy: 1.3157925511500204
Energy: 1.30967709247536
Energy: 1.308575284408595
Energy: 1.3378714622063324
Energy: 1.315792551143743
Energy: 1.3096770924797543
Energy: 1.2940096377661163
Energy: 1.3185691837762246
Energy: 1.2809028152926174
Energy: 1.3221335433846297
Energy: 1.2940096377714807
Energy: 1.3185691837693196
Energy: 1.2809028153011206
Energy: 1.3376666312255976
Energy: 1.3167343861318292
Energy: 1.4103331463415656
Energy: 1.328925428637572
Energy: 1.33766663122594
Energy: 1.3167343861255518
Energy: 1.410333146334375
Energy: 1.2983953468648985
Energy: 1.3068839207242868
Energy: 1.3547294702484993
Energy: 1.3222325470090506
Energy: 1.2983953468677516
Energy: 1.3068839207245722
Energy: 1.3547294702469013
Energy: 1.3367967036585509
Energy: 1.4008108776449593
Energy: 1.3932554686614733
Energy: 1.4170021239471522
Energy: 1.336796703659464
Energy: 1.4008108776434183
Energy: 1.3932554686652399
Energy: 1.3266287368218748
Energy: 1.3223463737966878
Energy: 1.4185738343494294
Energy: 1.2864785799702902
Energy: 1.3266287368165677
Energy: 1.3223463737985715
Energy: 1.418573834358218
Energy: 1.53190768705597
Energy: 1.4009768234474833
Energy: 1.3296534273430252
Energy: 1.4172295062542717
Energy: 1.531907687053459
Energy: 1.4009768234406352
Energy: 1.3296534273489602
Energy: 1.326941455264829
Energy: 1.3446715620543164
Energy: 1.3896743179949556
Energy: 1.4245309825734316
Energy: 1.3269414552594647
Energy: 1.3446715620552865
Energy: 1.3896743179993496
Energy: 1.5311336916725247
Energy: 1.401073318763899
Energy: 1.30228124387102
Energy: 1.417282874398871
Energy: 1.5311336916810279
Energy: 1.4010733187751985
Energy: 1.302281243868509
Energy: 1.32664981822294
Energy: 1.3209043575656825
Energy: 1.4033247197426266
Energy: 1.3204557688395118
Energy: 1.3266498182248234
Energy: 1.32090435753401
Energy: 1.403324719740401
Energy: 1.338229589801137
Energy: 1.4017112777693783
Energy: 1.3658008615489654
Energy: 1.4174218376485868
Energy: 1.3382295898118086
Energy: 1.4017112777706338
Energy: 1.3658008615580959
Energy: 1.3266507389564957
Energy: 1.3060009027809805
Energy: 1.321804845669774
Energy: 1.3141055703544315
Energy: 1.3266507389662543
Energy: 1.306000902784462
Energy: 1.3218048456691462
Energy: 1.3381068048935145
Energy: 1.3140144661185928
Energy: 1.3654038565691051
Energy: 1.322985264292399
Energy: 1.3381068048997922
Energy: 1.3140144661148263
Energy: 1.3654038565609443
Energy: 1.3594642465348332
Energy: 1.3059688546473411
Energy: 1.3821627228739553
Energy: 1.3147405370883212
Energy: 1.359464246539855
Energy: 1.3059688546602384
Energy: 1.3821627228761812
Energy: 1.3596218576467543
Energy: 1.3078215418524783
Energy: 1.3027906979751105
Energy: 1.3199607201509604
Energy: 1.3596218576508057
Energy: 1.307821541855902
Energy: 1.302790697972885
Energy: 1.3588772927368176
Energy: 1.3202976438186271
Energy: 1.3819218161633318
Energy: 1.3416521333047278
Energy: 1.3588772927315103
Energy: 1.3202976438142329
Energy: 1.3819218161611635
Energy: 1.359666724352747
Energy: 1.3180901052452478
Energy: 1.350996067660964
Energy: 1.328208291101459
Energy: 1.359666724359652
Energy: 1.3180901052467888
Energy: 1.3509960676613064
Energy: 1.3531675250508446
Energy: 1.312937726864119
Energy: 1.3609957981160183
Energy: 1.3424484476688052
Energy: 1.3531675250423414
Energy: 1.31293772686001
Energy: 1.3609957981087706
Energy: 1.359484354848162
Energy: 1.410170344589738
Energy: 1.3886411744508456
Energy: 1.3160911219404796
Energy: 1.3594843548497597
Energy: 1.4101703445925913
Energy: 1.3886411744495903
Energy: 1.354361088088489
Energy: 1.3674411079433415
Energy: 1.3715286786265153
Energy: 1.315282460066811
Energy: 1.3543610880828392
Energy: 1.3674411079336397
Energy: 1.3715286786224634
Energy: 1.4542776481006
Energy: 1.3167618597357353
Energy: 1.3606111024879957
Energy: 1.316103358212317
Energy: 1.4542776481046515
Energy: 1.3167618597545676
Energy: 1.3606111024955287
Energy: 1.3543689059062647
Energy: 1.2948107354437706
Energy: 1.3866653631831425
Energy: 1.3170903877792999
Energy: 1.3543689059191046
Energy: 1.2948107354330989
Energy: 1.3866653631753239
Energy: 1.3765950958126918
Energy: 1.317627923094051
Energy: 1.3312395344154562
Energy: 1.3160750075658854
Energy: 1.3765950958179989
Energy: 1.317627923094051
Energy: 1.331239534412032
Energy: 1.3548417690609447
Energy: 1.3371532344561496
Energy: 1.3647886222700127
Energy: 1.3365818543496895
Energy: 1.354841769053412
Energy: 1.3371532344536385
Energy: 1.364788622259341
Energy: 1.2927306717998917
Energy: 1.3202590615134777
Energy: 1.3301859267093092
Energy: 1.3250566866299471
Energy: 1.292730671800234
Energy: 1.3202590615191274
Energy: 1.3301859267086815

minimum gb energy = 1.2563621907351785 eV
minimum distance =  2.31839486933553 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.2639369349776224
Energy: 1.0774204795338111
Energy: 1.0979922066836956
Energy: 1.077420479538057
Energy: 1.2639369349797134
Energy: 1.077420479538057
Energy: 1.3515719079264548
Energy: 1.2639369349769147
Energy: 1.0774204795373497
Energy: 1.3938103988689516
Energy: 1.077420479536642
Energy: 1.2639369349797134
Energy: 1.077420479536642
Energy: 1.2471138283921828
Energy: 1.263936934979038
Energy: 1.077420479536642
Energy: 1.505142749918787
Energy: 1.0774204795373497
Energy: 1.2639369349783303
Energy: 1.0774204795338111
Energy: 1.3431377539249532
Energy: 1.2639369349776224
Energy: 1.0774204795338111
Energy: 1.3866081785662043
Energy: 1.0774204795373497
Energy: 1.2639369349769147
Energy: 1.0774204795352265
Energy: 1.4053375195030149
Energy: 1.2639369349783303
Energy: 1.0774204795373497
Energy: 1.5699425842241048
Energy: 1.0774204795359341
Energy: 1.263936934979038
Energy: 1.077420479536642
Energy: 1.3431377539242455
Energy: 1.2639369349776224
Energy: 1.077420479534519
Energy: 1.3431377539249532
Energy: 1.077420479536642
Energy: 1.2639369349797134
Energy: 1.077420479534519
Energy: 1.3465399900962458
Energy: 1.2639369349818361
Energy: 1.0774204795331037
Energy: 1.4175065603365875
Energy: 1.077420479538057
Energy: 1.2639369349783303
Energy: 1.077420479538057
Energy: 1.405337519502307
Energy: 1.263936934980421
Energy: 1.0774204795373497
Energy: 1.2247751747704632
Energy: 1.077420479536642
Energy: 1.2639369349776224
Energy: 1.0774204795359341
Energy: 1.3465399900941228
Energy: 1.2639369349776224
Energy: 1.077420479538057
Energy: 1.247113828393598
Energy: 1.0774204795359341
Energy: 1.2639369349776224
Energy: 1.077420479534519
Energy: 1.3431377539256608
Energy: 1.2639369349832517
Energy: 1.0774204795338111
Energy: 1.3515719079264548
Energy: 1.0774204795373497
Energy: 1.2639369349776224
Energy: 1.0774204795352265
Energy: 1.3515719079250392
Energy: 1.2639369349776224
Energy: 1.077420479538057
Energy: 1.393810398866121
Energy: 1.077420479536642
Energy: 1.2639369349754994
Energy: 1.077420479536642
Energy: 1.3431377539263682
Energy: 1.263936934976207
Energy: 1.077420479536642
Energy: 1.2471138283928906
Energy: 1.077420479536642
Energy: 1.263936934976207
Energy: 1.0774204795338111
Energy: 1.247113828393598
Energy: 1.263936934982544
Energy: 1.0774204795331037
Energy: 1.2471138283928906
Energy: 1.077420479538057
Energy: 1.2639369349797134
Energy: 1.077420479536642
Energy: 1.247113828393598
Energy: 1.2639369349811287
Energy: 1.0774204795373497
Energy: 1.247113828394306
Energy: 1.077420479536642
Energy: 1.263936934979038
Energy: 1.0774204795352265
Energy: 1.2471138283921828
Energy: 1.263936934979038
Energy: 1.0774204795352265
Energy: 1.2471138283928906
Energy: 1.077420479538057
Energy: 1.2639369349811287
Energy: 1.0774204795338111
Energy: 1.247113828393598
Energy: 1.2639369349797134
Energy: 1.077420479534519
Energy: 1.2471138283928906
Energy: 1.077420479538057
Energy: 1.2639369349747918
Energy: 1.0774204795359341
Energy: 1.247113828393598
Energy: 1.263936934980421
Energy: 1.077420479538057
Energy: 1.2471138283921828
Energy: 1.077420479536642
Energy: 1.2639369349797134
Energy: 1.0774204795352265
Energy: 1.2471138283907677
Energy: 1.263936934979038
Energy: 1.0774204795373497
Energy: 1.247113828394306
Energy: 1.0774204795359341
Energy: 1.2639369349797134
Energy: 1.0774204795338111
Energy: 1.247113828394306
Energy: 1.263936934980421
Energy: 1.0774204795338111
Energy: 1.2471138283907677
Energy: 1.077420479538057
Energy: 1.2639369349811287
Energy: 1.077420479536642
Energy: 1.247113828393598
Energy: 1.2639369349776224
Energy: 1.077420479534519
Energy: 1.2471138283921828
Energy: 1.0774204795373497
Energy: 1.2639369349797134
Energy: 1.077420479534519
Energy: 1.2471138283900598

minimum gb energy = 1.0774204795331037 eV
minimum distance =  2.43504229695409 Angstroms
sigma value = 23