{ "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" 3.452464193105698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.452464193105698e-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" [ 2.41696485730225 2.14783823259355 2.16815937364289 2.18240850513336 2.22265603306167 2.19228944435679 2.16829346540657 2.30724015965091 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.41696485730225e-10 2.14783823259355e-10 2.16815937364289e-10 2.18240850513336e-10 2.22265603306167e-10 2.19228944435679e-10 2.16829346540657e-10 2.30724015965091e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02338526888259065 1.0944597463264192 1.0651283199716848 1.110617423055587 1.0442195078362368 1.0999295353999778 1.1423742941477715 1.0008986843150793 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02338526888259065 1.094459746326419 1.065128319971685 1.110617423055587 1.044219507836237 1.099929535399978 1.142374294147771 1.000898684315079 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }