{ "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" [ [ 0.25 0.029746 0.677723 ] [ 0.25 0.529746 0.822277 ] [ 0.75 0.970254 0.322277 ] [ 0.75 0.470254 0.177723 ] [ 0.75 0.350533 0.565368 ] [ 0.25 0.149467 0.065368 ] [ 0.75 0.850533 0.934632 ] [ 0.25 0.649467 0.434632 ] [ 0.75 0.232412 0.876156 ] [ 0.75 0.732412 0.623844 ] [ 0.25 0.767588 0.123844 ] [ 0.25 0.267588 0.376156 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41139967 "source-unit" "angstrom" } "b" { "source-value" 7.32808547 "source-unit" "angstrom" } "c" { "source-value" 8.529225 "source-unit" "angstrom" } }