{ "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" 3.492127545177937 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.492127545177937e-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" [ 2.44614681436985 2.20815583180859 2.18596093243275 2.21350005601831 2.2493397471922 2.24398072606467 2.24576297519074 2.32958662696153 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44614681436985e-10 2.20815583180859e-10 2.18596093243275e-10 2.21350005601831e-10 2.2493397471922e-10 2.24398072606467e-10 2.24576297519074e-10 2.32958662696153e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016625579763626074 0.6399264101505988 0.6488926901671757 0.6518590517821113 0.618477573684706 0.6218837613934565 0.6241192663964502 0.5658392809325004 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01662557976362607 0.6399264101505988 0.6488926901671757 0.6518590517821113 0.618477573684706 0.6218837613934565 0.6241192663964502 0.5658392809325004 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }