{ "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" 3.658364850282671 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364850282671e-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" [ 2.38583100928667 2.2094028376022 2.23822609610181 2.18712210096085 2.23991714703698 2.22240631833217 2.25245842743673 2.32262959200492 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.38583100928667e-10 2.2094028376022e-10 2.23822609610181e-10 2.18712210096085e-10 2.23991714703698e-10 2.22240631833217e-10 2.25245842743673e-10 2.32262959200492e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4823380124569323 -4.553608555450213 -4.465826134007625 -2.2227640837626135 -3.2751095236540118 -2.1145624968491172 -6.328051268913519 -2.7738973572230545 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.482338012456932 -4.553608555450213 -4.465826134007625 -2.222764083762613 -3.275109523654012 -2.114562496849117 -6.328051268913519 -2.773897357223055 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }