Model name: model_name=EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5162327885627747
cohesive_energy=4.87669557134166
mass=58.6934
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: 0.024413354649611613
Energy: 0.6667646174817307
Energy: 0.4053910894440391
Energy: 0.6667121301023026
Energy: 0.024413354649611613
Energy: 0.6667646174817307
Energy: 0.744398660882176
Energy: 0.743401845151243
Energy: 0.024902937647756206
Energy: 0.3412211272997863
Energy: 0.024830827639848264
Energy: 0.7434018451538895
Energy: 0.024902937650402534
Energy: 0.34122112730243265
Energy: 0.024413354652257937
Energy: 0.6667646174817307
Energy: 0.4053910894440391
Energy: 0.6667121301023026
Energy: 0.024413354649611613
Energy: 0.6667646174817307
Energy: 0.7443986608795298
Energy: 0.743401845151243
Energy: 0.024902937647756206
Energy: 0.3412211272997863
Energy: 0.02483082763720194
Energy: 0.7434018451538895
Energy: 0.024902937650402534
Energy: 0.34122112730243265
Energy: 0.024413354649611613
Energy: 0.6667646174817307
Energy: 0.4053910894440391
Energy: 0.6667121301023026
Energy: 0.024413354649611613
Energy: 0.6667646174817307
Energy: 0.7443986608795298
Energy: 0.743401845151243
Energy: 0.024902937647756206
Energy: 0.3412211272997863
Energy: 0.024830827639848264
Energy: 0.7434018451538895
Energy: 0.024902937650402534
Energy: 0.34122112730243265

minimum gb energy = 0.024413354649611613 eV
minimum distance =  2.46720540346804 Angstroms
sigma value = 5


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

Energy: 1.6582252327672107
Energy: 1.6069298194835746
Energy: 1.5626702197234876
Energy: 1.6066887527388827
Energy: 1.6582252327511042
Energy: 1.6069298194609436
Energy: 1.5844743580156022
Energy: 1.521112282742837
Energy: 1.511379270483477
Energy: 1.580455008545084
Energy: 1.5540120508645645
Energy: 1.5211122827557688
Energy: 1.511379270502875
Energy: 1.5804550085677151
Energy: 1.5086732596837864
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Energy: 1.526633149878143
Energy: 1.5843779042290176
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Energy: 1.5591380252481328
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Energy: 1.559138025261065
Energy: 1.6092372021927408
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Energy: 1.590333605083518
Energy: 1.522340659132697
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Energy: 1.5512023196306775
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Energy: 1.6550087349570848
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Energy: 1.580302981323809
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Energy: 1.563005332639148
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Energy: 1.5814607537969745
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Energy: 1.5391405573455839
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Energy: 1.6172036262786509
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Energy: 1.6411816224889921
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Energy: 1.608237289557619
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Energy: 1.5751834308959647
Energy: 1.5550354899467858
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Energy: 1.5739193313241386
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Energy: 1.5550354899241545
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Energy: 1.5811135091693374
Energy: 1.5545114780412104
Energy: 1.5603115713170403
Energy: 1.569934761948774
Energy: 1.5811135092081334
Energy: 1.5545114780218128
Energy: 1.5594039521467928
Energy: 1.557524857453492
Energy: 1.5455359289295965
Energy: 1.5895188151286952
Energy: 1.5594039521726566
Energy: 1.557524857443793
Energy: 1.5455359289166646
Energy: 1.5628307622832958
Energy: 1.539196486873579
Energy: 1.619589030746377
Energy: 1.5349260044662476
Energy: 1.562830762315626
Energy: 1.539196486850948
Energy: 1.6195890307528429
Energy: 1.6576553375052532
Energy: 1.5704731001950964
Energy: 1.5739472461720334
Energy: 1.616413546847434
Energy: 1.6576553375084861
Energy: 1.5704731001983292
Energy: 1.5739472462075377
Energy: 1.5882121463861045
Energy: 1.5107831509588299
Energy: 1.5580966653125126
Energy: 1.5403510472279236
Energy: 1.5882121463764056
Energy: 1.5107831509458982
Energy: 1.5580966652995805
Energy: 1.4830150615711037
Energy: 1.5352563314893406
Energy: 1.6585529728866504
Energy: 1.5353427124296402
Energy: 1.4830150616034334
Energy: 1.5352563314828744
Energy: 1.6585529728704853
Energy: 1.525494751186172
Energy: 1.58615531111301
Energy: 1.5428811395313051
Energy: 1.5681468618351937
Energy: 1.5254947511700072
Energy: 1.586155311090379
Energy: 1.542881139560402
Energy: 1.4872794898612693
Energy: 1.5480897754429743
Energy: 1.5376859579351787
Energy: 1.5267092625947067
Energy: 1.4872794898967738
Energy: 1.5480897754235765
Energy: 1.5376859579157807

minimum gb energy = 1.4830150615711037 eV
minimum distance =  2.22134301940674 Angstroms
sigma value = 401


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

Energy: 1.6417761523407537
Energy: 1.5829261232751408
Energy: 1.5565509096751025
Energy: 1.5694109809548646
Energy: 1.6417761523334145
Energy: 1.582926123271471
Energy: 1.5482345220784908
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Energy: 1.5111705990474726
Energy: 1.5351645644328609
Energy: 1.5522311105106918
Energy: 1.5402537341480755
Energy: 1.511170599062152
Energy: 1.5351645644438703
Energy: 1.507710598071478
Energy: 1.5187195052986637
Energy: 1.5353395533998357
Energy: 1.543839654960247
Energy: 1.5077105981008365
Energy: 1.5187195053243525
Energy: 1.5353395533851566
Energy: 1.5334957510952467
Energy: 1.5780093416348502
Energy: 1.5404552465983945
Energy: 1.547099298727725
Energy: 1.5334957510805676
Energy: 1.5780093416275773
Energy: 1.5273928570441695
Energy: 1.5334327675851567
Energy: 1.5919185052085127
Energy: 1.6261883850454117
Energy: 1.5505783397535255
Energy: 1.5334327675814867
Energy: 1.5919185052121827
Energy: 1.626188385060091
Energy: 1.5064630798194036
Energy: 1.547025662535439
Energy: 1.7006561636551214
Energy: 1.585857486620994
Energy: 1.5064630798194036
Energy: 1.5470256625280994
Energy: 1.700656163644112
Energy: 1.534960780992588
Energy: 1.531150999197531
Energy: 1.570198716137378
Energy: 1.5740976932597108
Energy: 1.5349607809852484
Energy: 1.531150999197531
Energy: 1.5774920745969407
Energy: 1.546376771341461
Energy: 1.5829261232751408
Energy: 1.5482345220784908
Energy: 1.5694109809511947
Energy: 1.5463767713341217
Energy: 1.5829261232751408
Energy: 1.5482345220821607
Energy: 1.510404349912103
Energy: 1.5342371416188436
Energy: 1.5189080904357308
Energy: 1.557083751652001
Energy: 1.5104043499084334
Energy: 1.5342371416188436
Energy: 1.5189080904394006

minimum gb energy = 1.5057715199940398 eV
minimum distance =  2.25739252316118 Angstroms
sigma value = 311


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

Energy: 1.6531980142507676
Energy: 1.5647212249232603
Energy: 1.6709454911284134
Energy: 1.5645875886715017
Energy: 1.6531980142567
Energy: 1.5647212249232603
Energy: 1.6596597579248882
Energy: 1.6806531751971352
Energy: 1.6108975265981962
Energy: 1.651973540648693
Energy: 1.603724378010839
Energy: 1.6806531751937455
Energy: 1.6108975265977723
Energy: 1.6519735406474216
Energy: 1.5970195337545028
Energy: 1.5716000807510668
Energy: 1.6717996426727755
Energy: 1.56165227988048
Energy: 1.5970195337566218
Energy: 1.5716000807578467
Energy: 1.6717996426757415
Energy: 1.5581686724121546
Energy: 1.5729826935854936
Energy: 1.6779680487268827
Energy: 1.5469704630515433
Energy: 1.558168672404527
Energy: 1.5729826935905784
Energy: 1.6779680487273063
Energy: 1.648094856231029
Energy: 1.5785743115104147
Energy: 1.7146560569114668
Energy: 1.5715298157572304
Energy: 1.648094856232724
Energy: 1.5785743115154998
Energy: 1.6493517427552107
Energy: 1.597773229876414
Energy: 1.5915836322382997
Energy: 1.5895689878014814
Energy: 1.5855054624235134
Energy: 1.5977732298853127
Energy: 1.5915836322378758
Energy: 1.5895689878099566
Energy: 1.6348775148755605
Energy: 1.6292887652706753
Energy: 1.6432340180317342
Energy: 1.5854802716077574
Energy: 1.634877514876408
Energy: 1.629288765269404
Energy: 1.643234018017365
Energy: 1.5977534966109466
Energy: 1.571421313806062
Energy: 1.6983759163559355
Energy: 1.5699058221699749
Energy: 1.5977534966088276
Energy: 1.571421313807757
Energy: 1.6983759163491554
Energy: 1.6139223200618034
Energy: 1.568972104484562
Energy: 1.7224061301874003
Energy: 1.5718641744565074
Energy: 1.6139223200579895
Energy: 1.568972104495156
Energy: 1.7224061301865528
Energy: 1.5645635136267109
Energy: 1.584688674428895
Energy: 1.6671566344545117
Energy: 1.5677082346573563
Energy: 1.5645635136245921
Energy: 1.5846886744301665
Energy: 1.6671566344549356
Energy: 1.6442463552592523
Energy: 1.6244268789809262
Energy: 1.6522475216714954
Energy: 1.5375891285005827
Energy: 1.6442463552503532
Energy: 1.6244268789660947
Energy: 1.6522475216710717
Energy: 1.5929905900193715
Energy: 1.5932167014068925
Energy: 1.6253600750272676
Energy: 1.615806592705563
Energy: 1.5929905900193715
Energy: 1.5932167014051977
Energy: 1.6253600750230301
Energy: 1.6406880228299583
Energy: 1.5667215840851096
Energy: 1.6994993103768434
Energy: 1.5715611897164468
Energy: 1.6406880228350431
Energy: 1.5667215840957034
Energy: 1.699499310372606
Energy: 1.590406890903945
Energy: 1.604475482890565
Energy: 1.6260659711151575
Energy: 1.5677069216176212
Energy: 1.590406890900555
Energy: 1.6044754828922212
Energy: 1.6260659711113434
Energy: 1.6172308310885593
Energy: 1.5717411743071505
Energy: 1.699362476517461
Energy: 1.5401170586461703
Energy: 1.6172308310805081
Energy: 1.5717411743135068
Energy: 1.6993624765144948
Energy: 1.5928584504012404
Energy: 1.6157262641314458
Energy: 1.6253346786524725
Energy: 1.5932697597557648
Energy: 1.592858450394499
Energy: 1.6157262641369547
Energy: 1.6253346786453071
Energy: 1.644307514097019
Energy: 1.595514624996465
Energy: 1.6523578827305372
Energy: 1.6038247753789048
Energy: 1.644307514103799
Energy: 1.5955146249939225
Energy: 1.652357882732656
Energy: 1.5922415649929942
Energy: 1.572749552012804
Energy: 1.58150641263442
Energy: 1.584642004447104
Energy: 1.5922415649836716
Energy: 1.5727495520102615
Energy: 1.5815064126437426
Energy: 1.6266383701370124
Energy: 1.5717302380890834
Energy: 1.6313437911244082
Energy: 1.5689029488703274
Energy: 1.62663837014803
Energy: 1.5717302380903548
Energy: 1.6313437911214421
Energy: 1.5977243077629268
Energy: 1.5698809517487702
Energy: 1.6981138902442572
Energy: 1.5714170560538012
Energy: 1.5977243077650456
Energy: 1.5698809517563979
Energy: 1.698113890237901
Energy: 1.5828310228881313
Energy: 1.5855700444421394
Energy: 1.6323552712285594
Energy: 1.582714189440108
Energy: 1.5828310228932163
Energy: 1.5855700444540044
Energy: 1.632355271215847
Energy: 1.597793307201824
Energy: 1.6043268860744089
Energy: 1.5892701216279963
Energy: 1.5402299856205937
Energy: 1.5977933072026715
Energy: 1.60432688608246
Energy: 1.5892701216275726
Energy: 1.6477504416026851
Energy: 1.572807615329055
Energy: 1.6373517150638206
Energy: 1.578594206360173
Energy: 1.647750441601838
Energy: 1.5728076153277841
Energy: 1.637351715066363
Energy: 1.5756200828552533
Energy: 1.5761924007977368
Energy: 1.6779744872336764
Energy: 1.5731834530037303
Energy: 1.5756200828582194
Energy: 1.5761924007930754
Energy: 1.6779744872341003
Energy: 1.5574741595190893
Energy: 1.5975636448340318
Energy: 1.5757264190869298
Energy: 1.6060903682134342
Energy: 1.5574741595195132
Energy: 1.5975636448293706
Energy: 1.5757264190771838
Energy: 1.6100316376587382
Energy: 1.6038136363253253
Energy: 1.65188517708761
Energy: 1.582267457569008
Energy: 1.6100316376494155
Energy: 1.6038136363240538
Energy: 1.6518851770833722
Energy: 1.6531980142609377
Energy: 1.5647212249177516
Energy: 1.6452162505107488
Energy: 1.5645875886604843
Energy: 1.6531980142583949
Energy: 1.5647212249190228
Energy: 1.6452162505145624
Energy: 1.6099677309420606
Energy: 1.634505203149746
Energy: 1.6519735406499643
Energy: 1.5948695739129235
Energy: 1.6099677309353189
Energy: 1.6345052031641536
Energy: 1.6519735406491165
Energy: 1.599479111595741
Energy: 1.5716000807586945
Energy: 1.6717996426837929
Energy: 1.597521816422752
Energy: 1.5994791115944695
Energy: 1.5716000807510668
Energy: 1.6717996426761654
Energy: 1.5581686724057984
Energy: 1.5729826935926974
Energy: 1.677968048724764
Energy: 1.5469704630515433
Energy: 1.558168672413426
Energy: 1.5729826935939686
Energy: 1.6779680487260349
Energy: 1.6480948562301814
Energy: 1.5785743115163473
Energy: 1.6493517427526683
Energy: 1.5715298157593491
Energy: 1.648094856229334
Energy: 1.5785743115095672
Energy: 1.6493517427556343
Energy: 1.613503591810689
Energy: 1.5399961571340541
Energy: 1.5895689878091088
Energy: 1.5954311718120031
Energy: 1.6135035918119605
Energy: 1.5399961571285452
Energy: 1.5895689877997865
Energy: 1.634877514876408
Energy: 1.590743916770423
Energy: 1.643234018020755
Energy: 1.5854802716077574
Energy: 1.6348775148823407
Energy: 1.5907439167687278
Energy: 1.6432340180304628
Energy: 1.5977534965999287
Energy: 1.571421313814537
Energy: 1.6983759163516978
Energy: 1.5699058221631947
Energy: 1.5977534966071325
Energy: 1.571421313804367
Energy: 1.6983759163491554
Energy: 1.5983084148833722
Energy: 1.592032873297431
Energy: 1.6528880625593576
Energy: 1.5718641744590502
Energy: 1.5983084148859148
Energy: 1.5920328732978548
Energy: 1.6528880625572393
Energy: 1.5645635136296774
Energy: 1.584688674431014
Energy: 1.5814240363774177
Energy: 1.567708234659475
Energy: 1.5645635136267109
Energy: 1.5846886744276238
Energy: 1.581424036378689

minimum gb energy = 1.5375891285005827 eV
minimum distance =  2.22262557424224 Angstroms
sigma value = 39


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

Energy: 1.6000969056020216
Energy: 1.6024989680478015
Energy: 1.704103355187327
Energy: 1.602421333899202
Energy: 1.6000969056115237
Energy: 1.6024989680523023
Energy: 1.6535988753429256
Energy: 1.5833044992123149
Energy: 1.5613288581318727
Energy: 1.4521927407066815
Energy: 1.5636066442234688
Energy: 1.5833044992108145
Energy: 1.5613288581218707
Energy: 1.452192740704681
Energy: 1.6000563701545678
Energy: 1.495109658290364
Energy: 1.6297343758368772
Energy: 1.5718308091275104
Energy: 1.600056370146066
Energy: 1.4951096582933645
Energy: 1.6297343758448788
Energy: 1.5856157288742065
Energy: 1.6375087832353687
Energy: 1.4522056814936335
Energy: 1.5719121742948423
Energy: 1.5856157288872093
Energy: 1.6375087832348687
Energy: 1.4522056814976345
Energy: 1.660338394958686
Energy: 1.5728810997400076
Energy: 1.6047630361051781
Energy: 1.5712697308899943
Energy: 1.6603383949701886
Energy: 1.572881099741008
Energy: 1.604763036106133
Energy: 1.5857364910632312
Energy: 1.5436693595991553
Energy: 1.7183319138199133
Energy: 1.5534960027120834
Energy: 1.5857364910742335
Energy: 1.5436693595906534
Energy: 1.7183319138104112
Energy: 1.6856703590594087
Energy: 1.5725132095368826
Energy: 1.6071583074495
Energy: 1.5721330100625281
Energy: 1.6856703590569084
Energy: 1.5725132095344274
Energy: 1.607158307453501
Energy: 1.5864343002378396
Energy: 1.495410614951007
Energy: 1.8049753800232264
Energy: 1.4953721690601913
Energy: 1.586434300231884
Energy: 1.4954106149445054
Energy: 1.8049753800351838
Energy: 1.6867631741414018
Energy: 1.5720330402576215
Energy: 1.599819803444618
Energy: 1.572524645239026
Energy: 1.6867631741419018
Energy: 1.5720330402476193
Energy: 1.5482796251891995
Energy: 1.5854862409724026
Energy: 1.5534957556066702
Energy: 1.7184199097478519
Energy: 1.5439068301399415
Energy: 1.5854862409669015
Energy: 1.5534957556071702
Energy: 1.7184199097578539
Energy: 1.6606106171803636
Energy: 1.5711844804083448
Energy: 1.7284406835983537
Energy: 1.572590473078623
Energy: 1.6606106171848645
Energy: 1.5711844804118458
Energy: 1.5593309977992982
Energy: 1.5858918852458026
Energy: 1.5719841876753085
Energy: 1.452298938961726
Energy: 1.6371822100728166
Energy: 1.5858918852463026
Energy: 1.5719841876793095
Energy: 1.4522989389587255
Energy: 1.6001713587551942
Energy: 1.5714691009835888
Energy: 1.5456822996036648
Energy: 1.4951346554285514
Energy: 1.6001713587511934
Energy: 1.5714691009850892
Energy: 1.5456822995872066
Energy: 1.5833140937173695
Energy: 1.5632742982308647
Energy: 1.4522669896477065
Energy: 1.561341233235756
Energy: 1.583314093716369
Energy: 1.5632742982143613
Energy: 1.4522669896347036
Energy: 1.6000969056045218
Energy: 1.6024989680488015
Energy: 1.653598875334924
Energy: 1.602421333898702
Energy: 1.6000969056125236
Energy: 1.6024989680523023
Energy: 1.6535988753419253
Energy: 1.5833044992103142
Energy: 1.561328858133373
Energy: 1.4521927407016804
Energy: 1.5636066442229686
Energy: 1.5833044992103142
Energy: 1.5613288581238711
Energy: 1.4521927407081818
Energy: 1.6000563701520674
Energy: 1.4951096582883634
Energy: 1.6297343758398777
Energy: 1.5718308091240094
Energy: 1.600056370146566
Energy: 1.4951096582933645
Energy: 1.6297343758473795
Energy: 1.5856157288752069
Energy: 1.6375087832328683
Energy: 1.452205681491133
Energy: 1.5719121742968432
Energy: 1.5856157288872093
Energy: 1.6375087832298676
Energy: 1.4522056814971345
Energy: 1.660338394958686
Energy: 1.5728810997425084
Energy: 1.6047630361026775
Energy: 1.5712697308924952
Energy: 1.660338394968688
Energy: 1.572881099741008
Energy: 1.604763036101177
Energy: 1.5857364910632312
Energy: 1.543669359597155
Energy: 1.7183319138209134
Energy: 1.5534960027115834
Energy: 1.5857364910737335
Energy: 1.5436693595906534
Energy: 1.718331913809911
Energy: 1.6856703590584086
Energy: 1.5725132095373826
Energy: 1.607158307454501
Energy: 1.5721330100590274
Energy: 1.685670359056408
Energy: 1.5725132095339274
Energy: 1.6071583074550013
Energy: 1.5864343002413404
Energy: 1.4954106149495066
Energy: 1.8049753800247266
Energy: 1.4953721690611916
Energy: 1.5864343002353845
Energy: 1.495410614942505
Energy: 1.8049753800366841
Energy: 1.686763174143402
Energy: 1.572033040260122
Energy: 1.5082038299847518
Energy: 1.572524645246482
Energy: 1.6867631741419018
Energy: 1.572033040247119
Energy: 1.508203829962747
Energy: 1.5854862409704022
Energy: 1.55349575560517
Energy: 1.7184199097468513
Energy: 1.5439068301434422
Energy: 1.5854862409629007
Energy: 1.5534957556021693
Energy: 1.7184199097563535
Energy: 1.6606106171798636
Energy: 1.571184480404344
Energy: 1.6081544121095288
Energy: 1.5725904730761222
Energy: 1.6606106171833641
Energy: 1.5711844804093449
Energy: 1.6081544121179852
Energy: 1.5858918852453023
Energy: 1.5719841876738083
Energy: 1.4522989389632261
Energy: 1.6371822100723166
Energy: 1.5858918852443022
Energy: 1.5719841876773089
Energy: 1.4522989389577252
Energy: 1.6001713587536939
Energy: 1.5714691009800883
Energy: 1.5456822996007096
Energy: 1.495134655427551
Energy: 1.6001713587501931
Energy: 1.5714691009840889
Energy: 1.5456822995837056
Energy: 1.583314093716369
Energy: 1.5632742982298649
Energy: 1.452266989646206
Energy: 1.5613412332297547
Energy: 1.5833140937133685
Energy: 1.5632742982173622
Energy: 1.4522669896322034
Energy: 1.6000969056015215
Energy: 1.6024989680478015
Energy: 1.6535988753369242
Energy: 1.6024213339002018
Energy: 1.6000969056120236
Energy: 1.6024989680513022
Energy: 1.6535988753429256
Energy: 1.5833044992113146
Energy: 1.561328858131373
Energy: 1.452192740709682
Energy: 1.5636066442259693
Energy: 1.5833044992103142
Energy: 1.56132885811987
Energy: 1.452192740713183

minimum gb energy = 1.4521927407016804 eV
minimum distance =  2.23469619043107 Angstroms
sigma value = 21


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

Energy: 1.616047769370471
Energy: 1.6457564873651949
Energy: 1.6146571788736568
Energy: 1.6457720997940712
Energy: 1.6160477693613642
Energy: 1.645756487360338
Energy: 1.5714827821413626
Energy: 1.650416040673464
Energy: 1.5543210010736228
Energy: 1.4243210610325057
Energy: 1.5543159838440368
Energy: 1.6504160406588935
Energy: 1.554321001080301
Energy: 1.4243210610325057
Energy: 1.6159413173681432
Energy: 1.5281308764349995
Energy: 1.5531442711321588
Energy: 1.5582118969674088
Energy: 1.6159413173705717
Energy: 1.528130876438642
Energy: 1.5531442711376229
Energy: 1.6502075499852273
Energy: 1.5543362091661836
Energy: 1.7071287861430164
Energy: 1.5487292730023234
Energy: 1.6502075499785491
Energy: 1.5543362091619337
Energy: 1.707128786130267
Energy: 1.555950513154151
Energy: 1.5979150401417739
Energy: 1.5354936827240366
Energy: 1.5731936382709828
Energy: 1.5559505131565794
Energy: 1.5979150401587734
Energy: 1.5354936827301078
Energy: 1.6503443293707665
Energy: 1.4939646751590097
Energy: 1.6106834974361715
Energy: 1.552612997191934
Energy: 1.6503443293707665
Energy: 1.4939646751577955
Energy: 1.6106834974313144
Energy: 1.6153482554972862
Energy: 1.5980465347452797
Energy: 1.5355081575994174
Energy: 1.5748743431538845
Energy: 1.615348255496072
Energy: 1.5980465347495292
Energy: 1.5355081575975962
Energy: 1.637666973231298
Energy: 1.5644588393495709
Energy: 1.6180018728137455
Energy: 1.5527332018192757
Energy: 1.6376669732294769
Energy: 1.5644588393417334
Energy: 1.6180018728173882
Energy: 1.6153950695596313
Energy: 1.5500918199907265
Energy: 1.5912323945112696
Energy: 1.5701103527405353
Energy: 1.6153950695796657
Energy: 1.550091819986532
Energy: 1.5912323945076268
Energy: 1.625671337555953
Energy: 1.4916063544197213
Energy: 1.5454673135727026
Energy: 1.5526390746263976
Energy: 1.6256713375450254
Energy: 1.491606354411222
Energy: 1.5454673135702741
Energy: 1.6124442187209123
Energy: 1.5532253463543166
Energy: 1.5911981748054504
Energy: 1.5526020129755589
Energy: 1.6124442187294117
Energy: 1.5532253463567451
Energy: 1.591198174808486
Energy: 1.4892044689251978
Energy: 1.5676999614077365
Energy: 1.585604909692269
Energy: 1.4917902648373265
Energy: 1.489204468925805
Energy: 1.5676999614053082
Energy: 1.5856049096995544
Energy: 1.612088312601734
Energy: 1.5528880957552071
Energy: 1.567427259196539
Energy: 1.5571843783511812
Energy: 1.612088312601734
Energy: 1.5528880957503504
Energy: 1.5674272592122689
Energy: 1.4896458776476207
Energy: 1.5686342652540803
Energy: 1.6216665668937262
Energy: 1.4919711969941252
Energy: 1.4896458776445851
Energy: 1.5686342652437595
Energy: 1.6216665668943333
Energy: 1.6457635881048678
Energy: 1.508191671282119
Energy: 1.5438497878127675
Energy: 1.5569790117576239
Energy: 1.6457635881182244
Energy: 1.5081916712839403
Energy: 1.5438497878103392
Energy: 1.489233300374469
Energy: 1.6086250392716488
Energy: 1.6217006799427323
Energy: 1.5755176763636096
Energy: 1.489233300379326
Energy: 1.608625039283736
Energy: 1.6217006799372684
Energy: 1.6463647184578665
Energy: 1.5056736304080607
Energy: 1.6185994141800157
Energy: 1.557333386668518
Energy: 1.6463647184524024
Energy: 1.505673630394097
Energy: 1.6089218267778658
Energy: 1.4892558238252813
Energy: 1.5669984794160279
Energy: 1.5913848211216273
Energy: 1.5513616770458343
Energy: 1.489255823816782
Energy: 1.5669984794069214
Energy: 1.5913848211361978
Energy: 1.6164128619711406
Energy: 1.5062788055502583
Energy: 1.6923830415034775
Energy: 1.5519030345680025
Energy: 1.6164128619681053
Energy: 1.50627880554783
Energy: 1.692383041501656
Energy: 1.489662908591099
Energy: 1.6100685107743578
Energy: 1.5775347301588487
Energy: 1.609993474610029
Energy: 1.4896629085856352
Energy: 1.6100685107658579
Energy: 1.5775347301679554
Energy: 1.6164382622828464
Energy: 1.5519326606308108
Energy: 1.6926545261290111
Energy: 1.5062054837704644
Energy: 1.6164382622846678
Energy: 1.5519326606362747
Energy: 1.6926545261350823
Energy: 1.4892003994983656
Energy: 1.5514244654996625
Energy: 1.5913394060543442
Energy: 1.566982152251853
Energy: 1.489200399488045
Energy: 1.551424465501484
Energy: 1.5913394060494872
Energy: 1.6463820806725065
Energy: 1.5572558612266663
Energy: 1.5834929931657196
Energy: 1.505403525508619
Energy: 1.6463820806670426
Energy: 1.5572558612205953
Energy: 1.5834929931663262
Energy: 1.4892350085104193
Energy: 1.575579680932892
Energy: 1.6216183943198221
Energy: 1.6077638720784293
Energy: 1.4892350085207402
Energy: 1.5755796809395701
Energy: 1.6216183943307503
Energy: 1.6457882787903158
Energy: 1.5573005642409674
Energy: 1.5681779193493526
Energy: 1.5082410840642158
Energy: 1.6457882787927443
Energy: 1.5573005642251827
Energy: 1.5681779193651375

minimum gb energy = 1.4243210610325057 eV
minimum distance =  2.25315395952217 Angstroms
sigma value = 113


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

Energy: 1.4940540008086893
Energy: 1.598623551595836
Energy: 1.5003141103827158
Energy: 1.598700490979675
Energy: 1.4940540007849714
Energy: 1.5986235515788947
Energy: 1.491815483661517
Energy: 1.5896710887488736
Energy: 1.5579427981399039
Energy: 1.4226272666334914
Energy: 1.5577615163295295
Energy: 1.5896710887149912
Energy: 1.557942798116186
Energy: 1.422627266619938
Energy: 1.4938766918133946
Energy: 1.5201913649846317
Energy: 1.618762270140248
Energy: 1.5201791195028578
Energy: 1.4938766918032298
Energy: 1.5201913649609136
Energy: 1.6187622701233066
Energy: 1.445673662167632
Energy: 1.557783324427082
Energy: 1.4990406902584714
Energy: 1.5586420266429954
Energy: 1.4456736621879618
Energy: 1.5577833244203052
Energy: 1.4990406902110356
Energy: 1.5548731223642756
Energy: 1.4465084098232164
Energy: 1.5865853041203182
Energy: 1.4460977847686516
Energy: 1.5548731223439458
Energy: 1.4465084098469343
Energy: 1.5865853041135416
Energy: 1.4456813277662115
Energy: 1.475398986529339
Energy: 1.6055147786171093
Energy: 1.4851552571296973
Energy: 1.4456813277831528
Energy: 1.475398986539504
Energy: 1.605514778627274
Energy: 1.4634941605501302
Energy: 1.4466818993156363
Energy: 1.5583629158751846
Energy: 1.4520429358144584
Energy: 1.4634941605636833
Energy: 1.4466818993190245
Energy: 1.5583629158717964
Energy: 1.445718538284638
Energy: 1.4884154222356076
Energy: 1.6742982224995007
Energy: 1.474672911273837
Energy: 1.4457185383015796
Energy: 1.4884154222322192
Energy: 1.674298222513054
Energy: 1.4633981168176464
Energy: 1.4525479708378988
Energy: 1.516610543671936
Energy: 1.451925145934126
Energy: 1.463398116851529
Energy: 1.4525479708210192
Energy: 1.5166105436618327
Energy: 1.4510103763227733
Energy: 1.4880678422347855
Energy: 1.5163876851515385
Energy: 1.4827439502202768
Energy: 1.4510103763498794
Energy: 1.488067842214456
Energy: 1.5163876851244322
Energy: 1.4634329009128082
Energy: 1.4748779901168938
Energy: 1.4822857305566843
Energy: 1.4522839752833898
Energy: 1.4634329009026434
Energy: 1.4748779901168938
Energy: 1.4822857305600725
Energy: 1.4511369958939861
Energy: 1.4749538150224188
Energy: 1.620548359681689
Energy: 1.4768031762748275
Energy: 1.451136995880433
Energy: 1.4749538150054775
Energy: 1.6205483596580328
Energy: 1.4649899214140556
Energy: 1.4830158803737137
Energy: 1.5957954996754158
Energy: 1.4754567908465122
Energy: 1.4649899213768462
Energy: 1.4830158803737137
Energy: 1.5957954996923573
Energy: 1.4789019578317506
Energy: 1.5346465598956103
Energy: 1.6682740853936264
Energy: 1.4957086810408204
Energy: 1.4789019578046445
Energy: 1.5346465598922219
Energy: 1.6682740853732967
Energy: 1.4647985765658018
Energy: 1.4977841076613707
Energy: 1.754233174219172
Energy: 1.5257299556740156
Energy: 1.4647985765624134
Energy: 1.4977841076240996
Energy: 1.7542331741785124
Energy: 1.4788583860100843
Energy: 1.474368602376648
Energy: 1.537939805640058
Energy: 1.4766007358611213
Energy: 1.4788583860304143
Energy: 1.4743686023800364
Energy: 1.537939805640058
Energy: 1.4900100076783647
Energy: 1.4832963339766825
Energy: 1.7496941689001333
Energy: 1.4755899981873377
Energy: 1.4900100076547083
Energy: 1.483296333949638
Energy: 1.749694168920463
Energy: 1.45120513560618
Energy: 1.4729874440260933
Energy: 1.5382907869184452
Energy: 1.4826636934558997
Energy: 1.451205135582462
Energy: 1.4729874440227049
Energy: 1.5382907869150568
Energy: 1.489767396818817
Energy: 1.4991318173325894
Energy: 1.5259939308142416
Energy: 1.4948631618556034
Energy: 1.4897673968053255
Energy: 1.4991318173325894
Energy: 1.525993930831183
Energy: 1.4537340661790898
Energy: 1.4692767517895986
Energy: 1.5167755100060927
Energy: 1.4651930316476776
Energy: 1.4537340661621487
Energy: 1.4692767517929868
Energy: 1.516775510036587
Energy: 1.4841237756103338
Energy: 1.4530800487144206
Energy: 1.5735932318697408
Energy: 1.496273341366158
Energy: 1.4841237756103338
Energy: 1.45308004875508
Energy: 1.573593231883294
Energy: 1.4536841485724734
Energy: 1.4572525920015782
Energy: 1.566949484947132
Energy: 1.470834681622478
Energy: 1.4536841485860266
Energy: 1.4572525919914134
Energy: 1.5669494849640735
Energy: 1.4842291820850524
Energy: 1.456455067564222
Energy: 1.466545358630432
Energy: 1.5633725341047604
Energy: 1.4842291820714995
Energy: 1.4564550675608336
Energy: 1.466545358630432
Energy: 1.457226225324197
Energy: 1.4762540709821201
Energy: 1.533195101209383
Energy: 1.470357097269886
Energy: 1.4572262253208088
Energy: 1.4762540709787317
Energy: 1.5331951012263245
Energy: 1.484215257731285
Energy: 1.554019725558006
Energy: 1.5049252663727872
Energy: 1.6368137330780248
Energy: 1.4842152577413883
Energy: 1.5540197255613943
Energy: 1.5049252663931167
Energy: 1.4875825973281982
Energy: 1.5497335125068807
Energy: 1.6732535781045512
Energy: 1.4797803548083523
Energy: 1.4875825973078687
Energy: 1.5497335125068807
Energy: 1.673253578101163
Energy: 1.648215450724747
Energy: 1.5565831443139098
Energy: 1.549211758041921
Energy: 1.6370290915959538
Energy: 1.6482154507145823
Energy: 1.556583144303745
Energy: 1.5492117580791918
Energy: 1.4875265571855623
Energy: 1.6283342447072828
Energy: 1.5485020063795214
Energy: 1.5587746788117882
Energy: 1.4875265571619058
Energy: 1.6283342446835647
Energy: 1.5485020063930746
Energy: 1.6478617401240008
Energy: 1.5568320818367198
Energy: 1.463803935681215
Energy: 1.6370639434400025
Energy: 1.647861740103671
Energy: 1.5568320818231667
Energy: 1.4638039356846033
Energy: 1.4882105677586255
Energy: 1.5490569418618374
Energy: 1.6079327049427345
Energy: 1.5461690708847051
Energy: 1.4882105677450723
Energy: 1.5490569418720017
Energy: 1.6079327049291816
Energy: 1.4832979486965328
Energy: 1.5569223448293443
Energy: 1.5761100860842416
Energy: 1.6376776452617863
Energy: 1.4832979486559352
Energy: 1.5569223448428975
Energy: 1.576110086091018
Energy: 1.4880744490567184
Energy: 1.4773067218719456
Energy: 1.5543497759858687
Energy: 1.4715921788161452
Energy: 1.4880744490194473
Energy: 1.4773067218414513
Energy: 1.5543497759994216
Energy: 1.4834973258423472
Energy: 1.4757211603533702
Energy: 1.596040561482979
Energy: 1.5503264647729817
Energy: 1.4834973258389592
Energy: 1.4757211603533702
Energy: 1.5960405614660376
Energy: 1.5023216888063096
Energy: 1.4778289607961137
Energy: 1.5749062907485252
Energy: 1.4677806310933659
Energy: 1.5023216887927564
Energy: 1.4778289607893371
Energy: 1.5749062907586902
Energy: 1.4988423966601663
Energy: 1.4724704715299823
Energy: 1.660718043730673
Energy: 1.5508242021223315
Energy: 1.4988423966432247
Energy: 1.472470471536759
Energy: 1.6607180437510027
Energy: 1.5025023361055294
Energy: 1.475064454553663
Energy: 1.6359433182720113
Energy: 1.4806588617894856
Energy: 1.502502336075035
Energy: 1.4750644545638278
Energy: 1.6359433182753997
Energy: 1.4994766124138665
Energy: 1.4651643722769288
Energy: 1.5528429716280856
Energy: 1.5605580967182493
Energy: 1.4994766124240315
Energy: 1.4651643722362693
Energy: 1.5528429716145324
Energy: 1.5045716118597858
Energy: 1.473371444108577
Energy: 1.5721641636579125
Energy: 1.4805125341882452
Energy: 1.5045716118225763
Energy: 1.4733714440950239
Energy: 1.5721641636680772
Energy: 1.499076978151654
Energy: 1.55120709106241
Energy: 1.5445701009667994
Energy: 1.541906106571006
Energy: 1.4990769781482658
Energy: 1.551207091072575
Energy: 1.5445701009769641
Energy: 1.5049091499189167
Energy: 1.5182487976422279
Energy: 1.5674826009461276
Energy: 1.550047357257543
Energy: 1.5049091499189167
Energy: 1.5182487976557812
Energy: 1.5674826009495157
Energy: 1.6199660275740655
Energy: 1.5519454339085368
Energy: 1.4840327499011443
Energy: 1.541802149118502
Energy: 1.6199660276113366
Energy: 1.5519454339187015
Energy: 1.484032749907921
Energy: 1.505003709234116
Energy: 1.5010104505827244
Energy: 1.8172983133895162
Energy: 1.5379904581285768
Energy: 1.5050037092002333
Energy: 1.5010104505895008
Energy: 1.8172983134064578
Energy: 1.48310070383653
Energy: 1.5517376048005134
Energy: 1.5109242549497186
Energy: 1.5416735125437058
Energy: 1.4831007038297537
Energy: 1.5517376047903486
Energy: 1.5109242549463302
Energy: 1.5071075084671284
Energy: 1.4849151077538454
Energy: 1.8233292571942554
Energy: 1.4792066558709165
Energy: 1.5071075084569636
Energy: 1.4849151077775633
Energy: 1.823329257190867
Energy: 1.4521912336474385
Energy: 1.5714099441382907
Energy: 1.5103132007512101
Energy: 1.5689566461989837
Energy: 1.4521912336508267
Energy: 1.571409944155232
Energy: 1.5103132007207771

minimum gb energy = 1.422627266619938 eV
minimum distance =  2.22815215449432 Angstroms
sigma value = 365


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

Energy: 1.3825493185699627
Energy: 1.2706149493306473
Energy: 1.4184328254815666
Energy: 1.2706149493253
Energy: 1.3825493185707267
Energy: 1.270614949324536
Energy: 1.4247026674165923
Energy: 1.3825493185783657
Energy: 1.270614949324536
Energy: 1.9633561633799226
Energy: 1.2706149493260637
Energy: 1.3825493185760742
Energy: 1.2706149493321754
Energy: 1.4247026674249954
Energy: 1.38254931857531
Energy: 1.2706149493260637
Energy: 1.9633561633776306
Energy: 1.2706149493291194
Energy: 1.3825493185737823
Energy: 1.2706149493260637
Energy: 1.4184328346705843
Energy: 1.3825493185722546
Energy: 1.2706149493321754
Energy: 1.6342550311423958
Energy: 1.2706149493260637
Energy: 1.3825493185714905
Energy: 1.2706149493260637
Energy: 1.42470266741812
Energy: 1.3825493185783657
Energy: 1.270614949322244
Energy: 1.6342550311454518
Energy: 1.2706149493260637
Energy: 1.3825493185745463
Energy: 1.2706149493298835
Energy: 1.4247026674234675
Energy: 1.382549318576838
Energy: 1.2706149493275918
Energy: 1.9633561633806866
Energy: 1.2706149493314112
Energy: 1.382549318576838
Energy: 1.2706149493275918
Energy: 1.6342550311423958
Energy: 1.3825493185699627
Energy: 1.2706149493306473
Energy: 1.5327553928358877
Energy: 1.2706149493253
Energy: 1.3825493185684348
Energy: 1.2706149493253
Energy: 1.42470266741812
Energy: 1.3825493185806574
Energy: 1.270614949324536
Energy: 1.6342550311500352
Energy: 1.2706149493268277
Energy: 1.3825493185791298
Energy: 1.2706149493321754
Energy: 1.4247026674265235
Energy: 1.38254931857531
Energy: 1.2706149493260637
Energy: 1.9633561633806866
Energy: 1.2706149493291194
Energy: 1.3825493185783657
Energy: 1.2706149493253
Energy: 1.5327553928381794
Energy: 1.3825493185707267
Energy: 1.270614949332939
Energy: 1.4247026674341625
Energy: 1.2706149493268277
Energy: 1.3825493185699627
Energy: 1.2706149493260637
Energy: 1.424702667419648
Energy: 1.38254931857531
Energy: 1.270614949322244
Energy: 1.6342550311492714
Energy: 1.2706149493268277
Energy: 1.3825493185722546
Energy: 1.2706149493306473
Energy: 1.4247026674265235
Energy: 1.3825493185730182
Energy: 1.2706149493275918
Energy: 1.9633561633806866
Energy: 1.2706149493321754
Energy: 1.3825493185760742
Energy: 1.2706149493268277
Energy: 1.4247026674303431
Energy: 1.3825493185684348
Energy: 1.2706149493306473
Energy: 1.4247026674341625
Energy: 1.270614949324536
Energy: 1.3825493185699627
Energy: 1.2706149493253
Energy: 1.424702667420412
Energy: 1.382549318576838
Energy: 1.270614949324536
Energy: 1.424702667418884
Energy: 1.2706149493260637
Energy: 1.382549318576838
Energy: 1.2706149493321754
Energy: 1.4247026674249954
Energy: 1.38254931857531
Energy: 1.2706149493268277
Energy: 1.963356163384506
Energy: 1.2706149493298835
Energy: 1.3825493185760742
Energy: 1.2706149493253
Energy: 1.4247026674280512
Energy: 1.3825493185707267
Energy: 1.2706149493321754
Energy: 1.4247026674356906
Energy: 1.2706149493260637
Energy: 1.3825493185707267
Energy: 1.2706149493260637
Energy: 1.4247026674211756
Energy: 1.382549318576838
Energy: 1.270614949323008
Energy: 1.4247026674165923
Energy: 1.2706149493268277
Energy: 1.3825493185722546
Energy: 1.2706149493298835
Energy: 1.4247026674257592
Energy: 1.38254931857531
Energy: 1.2706149493268277
Energy: 1.963356163384506
Energy: 1.2706149493314112
Energy: 1.3825493185791298
Energy: 1.2706149493268277
Energy: 1.4247026674326346
Energy: 1.3825493185730182
Energy: 1.2706149493306473
Energy: 1.4247026674326346
Energy: 1.2706149493253
Energy: 1.3825493185699627
Energy: 1.2706149493253
Energy: 1.424702667419648
Energy: 1.3825493185760742
Energy: 1.270614949324536
Energy: 1.424702667415828
Energy: 1.2706149493260637
Energy: 1.382549318576838
Energy: 1.270614949332939
Energy: 1.4247026674280512

minimum gb energy = 1.270614949322244 eV
minimum distance =  2.3289453447827 Angstroms
sigma value = 23