{ "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" 3.170121654868126 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.170121654868126e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.73931642702716 2.47789775803322 2.47165972153692 2.45822837848405 2.44797656132399 2.52468710491189 2.52400391438827 2.4573856798815 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.73931642702716e-10 2.47789775803322e-10 2.47165972153692e-10 2.45822837848405e-10 2.44797656132399e-10 2.52468710491189e-10 2.52400391438827e-10 2.4573856798815e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020396091678259717 1.987444418560686 2.083852062673651 2.10769295001046 2.0035988050435343 1.8569711402119116 1.6148021348286004 0.6919456890211472 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02039609167825972 1.987444418560686 2.083852062673651 2.10769295001046 2.003598805043534 1.856971140211912 1.6148021348286 0.6919456890211472 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "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 ] } }