{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.965571 0.298165 ] [ 0.25 0.034429 0.701835 ] [ 0.75 0.465571 0.201835 ] [ 0.25 0.534429 0.798165 ] [ 0.75 0.826409 0.935134 ] [ 0.25 0.173591 0.064866 ] [ 0.75 0.326409 0.564866 ] [ 0.25 0.673591 0.435134 ] [ 0.75 0.77584 0.612906 ] [ 0.25 0.22416 0.387094 ] [ 0.75 0.27584 0.887094 ] [ 0.25 0.72416 0.112906 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.38430416 "source-unit" "angstrom" } "b" { "source-value" 7.25991176 "source-unit" "angstrom" } "c" { "source-value" 10.00689664 "source-unit" "angstrom" } }