{ "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" 3.6583647802472123 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364780247213e-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" [ 2.56485404661003 2.22533566184542 2.22862876703532 2.22853590557 2.23251400736776 2.23076397334524 2.25620494977372 2.34396868390827 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56485404661003e-10 2.22533566184542e-10 2.22862876703532e-10 2.22853590557e-10 2.23251400736776e-10 2.23076397334524e-10 2.25620494977372e-10 2.34396868390827e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.45473223192588824 -5.289000253303518 -4.11733154139105 -1.8619567344560515 -3.4698482095685157 -1.7670261676633534 -5.685612313818507 -2.289768590004422 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.4547322319258882 -5.289000253303518 -4.11733154139105 -1.861956734456051 -3.469848209568516 -1.767026167663353 -5.685612313818507 -2.289768590004422 ] } "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 ] } }