{ "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" 3.520000994205475 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520000994205475e-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" [ 2.47004497593892 2.24084414165228 2.23747256819434 2.25736960940111 2.29521595678139 2.27740942701674 2.25966004527147 2.36721110576981 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47004497593892e-10 2.24084414165228e-10 2.23747256819434e-10 2.25736960940111e-10 2.29521595678139e-10 2.27740942701674e-10 2.25966004527147e-10 2.36721110576981e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022058517996933185 1.2784693636164433 1.2844655238436202 1.3110412051253408 1.2539262611010662 1.2617718790426722 1.2802468749447533 1.1295001546096772 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02205851799693319 1.278469363616443 1.28446552384362 1.311041205125341 1.253926261101066 1.261771879042672 1.280246874944753 1.129500154609677 ] } "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 ] } }