{ "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" 3.082927376031875 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.082927376031875e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.58751919934588 2.4716227444618 2.54901383123495 2.50728011941799 2.4843034972763 2.53244701360801 2.51787488290674 2.46279444454232 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.58751919934588e-10 2.4716227444618e-10 2.54901383123495e-10 2.50728011941799e-10 2.4843034972763e-10 2.53244701360801e-10 2.51787488290674e-10 2.46279444454232e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.8037650824169216 -0.23845338941528954 -0.4636657687801042 0.19300723055173613 -0.06296835062924155 0.21746623414267 -0.5266908058275266 -0.3097949313466985 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.8037650824169216 -0.2384533894152895 -0.4636657687801042 0.1930072305517361 -0.06296835062924155 0.21746623414267 -0.5266908058275266 -0.3097949313466985 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "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 ] } }