{ "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" 3.5199999883770943 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519999988377094e-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" [ 2.46978309615559 1.8519458200292 2.00844757444513 2.00578475188518 1.91780490535497 2.01103947270344 1.87202685001517 1.97790584050239 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.469783096155591e-10 1.8519458200292e-10 2.00844757444513e-10 2.00578475188518e-10 1.91780490535497e-10 2.01103947270344e-10 1.87202685001517e-10 1.97790584050239e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -5.255655922274432 1.4517871254401948 1.0552753897322318 1.3413045755787831 0.7858758368674231 1.1537175110715376 1.534826348212885 -0.06014300640558582 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -5.255655922274432 1.451787125440195 1.055275389732232 1.341304575578783 0.7858758368674231 1.153717511071538 1.534826348212885 -0.06014300640558582 ] } "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 ] } }