{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.06944 0.75 ] [ 0 0.93056 0.25 ] [ 0.5 0.56944 0.75 ] [ 0.5 0.43056 0.25 ] [ 0.5 0.858338 0.955263 ] [ 0.5 0.141662 0.044737 ] [ 0.5 0.141662 0.455263 ] [ 0.5 0.858338 0.544737 ] [ 0 0.358338 0.955263 ] [ 0 0.641662 0.044737 ] [ 0 0.641662 0.455263 ] [ 0 0.358338 0.544737 ] [ 0 0.795501 0.75 ] [ 0 0.204499 0.25 ] [ 0.5 0.295501 0.75 ] [ 0.5 0.704499 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.45975011 "source-unit" "angstrom" } "b" { "source-value" 11.2762402 "source-unit" "angstrom" } "c" { "source-value" 7.58214701 "source-unit" "angstrom" } }