{ "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" 3.521391749382019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521391749382019e-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" [ 2.36839512844195 2.25204368585971 2.34157350539895 2.25585339621986 2.26365389420847 2.24682153816391 2.31332242175028 2.4070582791715 2.300172021511 2.3407487293077 2.32373494442301 2.34067767648905 2.27454690249192 2.37058764486422 2.32048800312688 2.27138838672906 2.31537320003208 2.27573863965495 2.28414690604001 2.28603612254074 2.45873644028903 2.34520066064453 2.32830135957047 2.31902803439391 2.27512899915504 2.25723930944479 2.29877012806692 2.28592480732642 2.25955340074236 2.27863510192842 2.29769315170105 2.48492824418827 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.36839512844195e-10 2.25204368585971e-10 2.34157350539895e-10 2.2558533962198603e-10 2.2636538942084702e-10 2.24682153816391e-10 2.31332242175028e-10 2.4070582791715e-10 2.300172021511e-10 2.3407487293077e-10 2.32373494442301e-10 2.34067767648905e-10 2.27454690249192e-10 2.37058764486422e-10 2.3204880031268802e-10 2.27138838672906e-10 2.31537320003208e-10 2.27573863965495e-10 2.28414690604001e-10 2.2860361225407401e-10 2.4587364402890304e-10 2.34520066064453e-10 2.32830135957047e-10 2.31902803439391e-10 2.27512899915504e-10 2.2572393094447901e-10 2.2987701280669201e-10 2.28592480732642e-10 2.25955340074236e-10 2.2786351019284199e-10 2.29769315170105e-10 2.48492824418827e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01814676762190278 1.3535398347900671 1.3532298456725205 1.4010924898820425 1.2889691737881164 1.205602471108481 1.0633340337570056 0.5355026950589584 0.904675517516537 0.9786522006876404 1.0559610799690893 1.0598927015819892 1.1833352366561105 1.169870545867918 1.202694239480824 1.2275872306428997 1.069349261744098 0.9831982136258587 0.9281208208302294 0.7756116084565058 0.08155698879130385 0.7695802140662132 0.9621558038563159 1.14572231349578 1.3519661656330277 1.4319996485631448 1.3681725531158746 1.4783128090437547 1.4534269285847123 1.396671870884615 1.316491984339423 0.020522328627323144 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01814676762190278 1.3535398347900671 1.3532298456725205 1.4010924898820425 1.2889691737881164 1.205602471108481 1.0633340337570056 0.5355026950589584 0.904675517516537 0.9786522006876404 1.0559610799690893 1.0598927015819892 1.1833352366561105 1.169870545867918 1.202694239480824 1.2275872306428997 1.069349261744098 0.9831982136258587 0.9281208208302294 0.7756116084565058 0.08155698879130385 0.7695802140662132 0.9621558038563159 1.14572231349578 1.3519661656330277 1.4319996485631448 1.3681725531158746 1.4783128090437547 1.4534269285847123 1.396671870884615 1.316491984339423 0.020522328627323144 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 1 33 51 19 27 9 57 11 41 33 67 3 81 43 57 17 17 57 43 81 3 67 33 41 11 57 9 27 19 101 33 1 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "tilt-angle" { "source-value" [ 0.0 20.049975724151484 22.84350731792459 26.525352016609688 31.586338096527925 38.94244126898138 44.00342734889962 50.47880364135782 55.8767054592047 58.99241699313286 62.439396894736774 70.52877936550931 77.88488253796277 80.63108442154517 82.945868617881 86.6277133165661 93.3722866834339 97.054131382119 99.36891557845483 102.11511746203723 109.47122063449069 117.56060310526324 121.00758300686714 124.1232945407953 129.5211963586422 135.99657265110037 141.05755873101862 148.41366190347208 153.4746479833903 157.15649268207542 159.95002427584853 180.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.3499380913313778 0.39869441540120326 0.46295472794035675 0.5512855984325309 0.679673818908244 0.7680046894004181 0.881021326009397 0.9752324854302123 1.0296119102396217 1.0897730587726802 1.230959417340775 1.359347637816488 1.4072779026094708 1.447678508308662 1.5119388208478157 1.629653832741978 1.6939141452811317 1.734314750980323 1.7822450157733059 1.9106332362490188 2.051819594817114 2.111980743350172 2.1663601681595814 2.2605713275803967 2.3735879641893756 2.46191883468155 2.590307055157263 2.678637925649437 2.742898238188591 2.791654562258416 3.141592653589794 ] } "tilt-axis" { "source-value" [ 1 1 0 ] } }