{
"property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal"
"instance-id" 1
"a" {
"source-value" 4.049999177455902
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 4.049999177455902e-10
}
"basis-atom-coordinates" {
"source-value" [
[
0
0
0
]
[
0
0.5
0.5
]
[
0.5
0
0.5
]
[
0.5
0.5
0
]
]
}
"minimum-atom-separation" {
"source-value" [
2.86368016335896
2.51109302796804
2.56409845176888
2.56571836762841
2.51726926671079
2.48560484580935
2.49919606251939
2.55074596557805
2.52313406837899
2.50222311391601
2.53380359857578
2.48428025008557
2.44367227870455
2.41004578758506
2.48484528552083
2.38499662945523
2.38434117037448
2.39126034847415
2.54732382362386
2.38835969755425
2.38463995550696
2.51562925724253
2.45537584822894
2.39974438316506
2.51961449426183
2.4797992714128
2.46234564751329
2.43287473351669
2.43744525842603
2.45789508999343
2.4258379703848
2.45964114069629
2.42085364546187
2.45541702053039
2.41349102504172
2.42385544700031
2.51179071481123
2.44081881657927
2.50620654699353
2.4692786493519
2.44175895882076
2.4766350793881
2.47841959263452
2.45743309414332
2.41852934778354
2.42510168540647
2.40396881929518
2.43700700922976
2.50771589270416
2.36818928081979
2.43094652230949
2.3458286789401
2.37194730241202
2.33301881158221
2.39066475856441
2.2999147268647
2.38143734876827
2.28756218914231
2.31656982964246
2.31234236905358
2.35196382584834
2.29518501954411
2.29670819300814
2.30566356936199
2.47638281693076
2.29798428608652
2.54786914608002
2.45249641498402
2.51142292664476
2.53472221307768
2.44455035255225
2.55506763967881
2.83788686893277
]
"source-unit" "angstrom"
"si-unit" "m"
"si-value" [
2.8636801633589603e-10
2.51109302796804e-10
2.56409845176888e-10
2.56571836762841e-10
2.5172692667107903e-10
2.48560484580935e-10
2.49919606251939e-10
2.5507459655780503e-10
2.52313406837899e-10
2.50222311391601e-10
2.53380359857578e-10
2.48428025008557e-10
2.44367227870455e-10
2.41004578758506e-10
2.48484528552083e-10
2.38499662945523e-10
2.38434117037448e-10
2.39126034847415e-10
2.5473238236238597e-10
2.38835969755425e-10
2.3846399555069604e-10
2.5156292572425304e-10
2.45537584822894e-10
2.3997443831650597e-10
2.51961449426183e-10
2.4797992714128004e-10
2.4623456475132904e-10
2.43287473351669e-10
2.43744525842603e-10
2.4578950899934304e-10
2.4258379703848e-10
2.4596411406962905e-10
2.4208536454618697e-10
2.45541702053039e-10
2.4134910250417197e-10
2.4238554470003105e-10
2.5117907148112303e-10
2.4408188165792704e-10
2.50620654699353e-10
2.4692786493519e-10
2.4417589588207603e-10
2.4766350793881e-10
2.47841959263452e-10
2.4574330941433196e-10
2.41852934778354e-10
2.42510168540647e-10
2.40396881929518e-10
2.43700700922976e-10
2.50771589270416e-10
2.3681892808197904e-10
2.43094652230949e-10
2.3458286789401005e-10
2.37194730241202e-10
2.33301881158221e-10
2.3906647585644104e-10
2.2999147268647003e-10
2.3814373487682697e-10
2.2875621891423103e-10
2.31656982964246e-10
2.31234236905358e-10
2.3519638258483403e-10
2.29518501954411e-10
2.29670819300814e-10
2.30566356936199e-10
2.47638281693076e-10
2.29798428608652e-10
2.54786914608002e-10
2.45249641498402e-10
2.51142292664476e-10
2.53472221307768e-10
2.4445503525522504e-10
2.5550676396788104e-10
2.83788686893277e-10
]
}
"relaxed-grain-boundary-energy" {
"source-value" [
0.010304641926099407
0.41080978364169507
0.41923333573748994
0.4412132711441472
0.47967656270713
0.47810829953011386
0.5169295595944062
0.5225044353876644
0.5703589444594249
0.5621789233787412
0.5722311914904488
0.5891250159748875
0.6202623590616262
0.6441119134738026
0.6268343862009419
0.6492096501482705
0.6637728845800152
0.6571231399463716
0.6451853777250766
0.6947860558929131
0.6821928339116976
0.6527096716010309
0.6620947233818215
0.6821476324543567
0.5951537588644392
0.6702993020534526
0.6433568921372543
0.6689295514744996
0.6651324512121558
0.6647123717505466
0.6789266227657433
0.6773454371219623
0.6795689458428078
0.6708794556676576
0.6784251392091922
0.674773417081333
0.6325596207157689
0.6429611115807746
0.6389862793100439
0.6324858027440734
0.6224457739345537
0.6229791737547955
0.612060867650241
0.5880273565099218
0.5877138493915154
0.5867820907849827
0.5748849154483484
0.5708513559998306
0.5265969293406074
0.5331392836711772
0.5272781452062627
0.5228814067018716
0.5059520034751677
0.5126537467968811
0.4890078117156242
0.46928967696737484
0.46108484936491523
0.45895329437664467
0.42896161074387856
0.41431389651356404
0.3957074976880422
0.37510371443046076
0.3644531493976986
0.34871776080036326
0.32936200574662255
0.3067818140946421
0.2924688716528718
0.2817153427046117
0.26056365821510563
0.24624175205090834
0.2342303066646413
0.22793475267382501
0.011658146638501376
]
"source-unit" "J/m^2"
"si-unit" "kg / s^2"
"si-value" [
0.010304641926099407
0.41080978364169507
0.41923333573748994
0.4412132711441472
0.47967656270713
0.47810829953011386
0.5169295595944062
0.5225044353876644
0.5703589444594249
0.5621789233787412
0.5722311914904488
0.5891250159748875
0.6202623590616262
0.6441119134738026
0.6268343862009419
0.6492096501482705
0.6637728845800152
0.6571231399463716
0.6451853777250766
0.6947860558929131
0.6821928339116976
0.6527096716010309
0.6620947233818215
0.6821476324543567
0.5951537588644392
0.6702993020534526
0.6433568921372543
0.6689295514744996
0.6651324512121558
0.6647123717505466
0.6789266227657433
0.6773454371219623
0.6795689458428078
0.6708794556676576
0.6784251392091922
0.674773417081333
0.6325596207157689
0.6429611115807746
0.6389862793100439
0.6324858027440734
0.6224457739345537
0.6229791737547955
0.612060867650241
0.5880273565099218
0.5877138493915154
0.5867820907849827
0.5748849154483484
0.5708513559998306
0.5265969293406074
0.5331392836711772
0.5272781452062627
0.5228814067018716
0.5059520034751677
0.5126537467968811
0.4890078117156242
0.46928967696737484
0.46108484936491523
0.45895329437664467
0.42896161074387856
0.41431389651356404
0.3957074976880422
0.37510371443046076
0.3644531493976986
0.34871776080036326
0.32936200574662255
0.3067818140946421
0.2924688716528718
0.2817153427046117
0.26056365821510563
0.24624175205090834
0.2342303066646413
0.22793475267382501
0.011658146638501376
]
}
"short-name" {
"source-value" [
"fcc"
]
}
"sigma" {
"source-value" [
1
113
197
169
145
61
101
81
1
229
25
173
9
31
25
205
85
89
17
241
65
53
109
185
9
221
137
73
97
7
169
29
97
73
205
137
5
289
109
157
53
1
3
17
233
89
85
69
13
125
37
37
185
173
25
269
65
79
41
101
15
145
85
197
113
145
181
55
265
39
91
105
1
]
}
"species" {
"source-value" [
"Al"
"Al"
"Al"
"Al"
]
}
"tilt-angle" {
"source-value" [
0.0
7.628149668580709
8.171233559949753
8.797410709991064
9.527283381452357
10.388857815469612
11.421186274999284
12.68038349181982
14.250032697803595
15.18928673718289
16.26020470831196
17.49232452511042
18.924644416051233
20.609692937532067
22.619864948040426
24.189514154024202
25.057615418303023
25.98923358383301
28.072486935852957
29.86283435627511
30.510237406115554
31.890791801845708
33.39848846798724
34.20545793810475
36.86989764584402
39.30764811610662
39.96621304379996
41.112090439166934
42.075022050843636
43.60281897270362
45.23972989608085
46.39718102729638
47.92497794915637
48.88790956083307
49.55028113766384
50.033786956200046
53.13010235415598
56.144973871705915
56.60151153201276
57.22091933193044
58.10920819815429
59.48976259388444
60.512874327058526
61.92751306414704
63.2150044924978
64.01076641616699
64.94238458169698
65.4704525442152
67.38013505195957
69.39030706246794
69.98404039711733
71.07535558394876
72.05474677020722
72.50767547488958
73.73979529168804
75.13718405765499
75.74996730219641
76.31445317473812
77.31961650818018
78.57881372500071
79.61114218453038
80.47271661854764
81.20258929000894
81.82876644005026
82.3718503314193
83.2670786731404
83.97442499163331
84.54737801218748
85.02089415600169
85.41877991472295
85.7578072066771
86.05013197823605
90.0
]
"source-unit" "degrees"
"si-unit" "radian"
"si-value" [
0.0
0.13313632755164764
0.1426149295705807
0.1535437825395561
0.16628246377688252
0.18131977440149025
0.19933730498232408
0.22131444234779135
0.24870998909352293
0.2651030645933481
0.2837941092083279
0.3052986567905304
0.3302973548292537
0.35970699958495667
0.3947911196997616
0.4221866664454932
0.437337891747884
0.45359769610777184
0.4899573262537284
0.5212047834946821
0.5325040983018509
0.5565993180102228
0.5829135889557343
0.5969978631723588
0.6435011087932845
0.686047880841407
0.6975420071678141
0.7175413405411447
0.7343476676364386
0.7610127542247299
0.7895822393995232
0.809783572570167
0.8364486591584585
0.8532549862537524
0.8648155511410758
0.8732543196270829
0.9272952180016124
0.9799146525074568
0.9878827378391627
0.9986934433602604
1.0141970087846741
1.038292228493046
1.0561488968527195
1.0808390005411685
1.1033099650570939
1.117198630687125
1.133458435047013
1.142674959667254
1.1760052070951352
1.2110893272099403
1.2214519287784176
1.2404989719656432
1.2575925728308661
1.2654976700043665
1.287002217586569
1.3113912524830726
1.322086337701374
1.33193847475822
1.3494818844471055
1.3714590218125728
1.3894765523934065
1.4045138630180143
1.417252544255341
1.4281813972243165
1.4376599992432493
1.4532846813634517
1.4656302035730133
1.4756301202409303
1.4838945360118352
1.490838952548317
1.4967560950470369
1.5018581247958809
1.570796326794897
]
}
"tilt-axis" {
"source-value" [
0
0
1
]
}
}