{ "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 0.06799 0.75 ] [ 0 0.93201 0.25 ] [ 0.5 0.56799 0.75 ] [ 0.5 0.43201 0.25 ] [ 0.5 0.856713 0.950923 ] [ 0.5 0.143287 0.049077 ] [ 0.5 0.143287 0.450923 ] [ 0.5 0.856713 0.549077 ] [ 0 0.356713 0.950923 ] [ 0 0.643287 0.049077 ] [ 0 0.643287 0.450923 ] [ 0 0.356713 0.549077 ] [ 0 0.787132 0.75 ] [ 0 0.212868 0.25 ] [ 0.5 0.287132 0.75 ] [ 0.5 0.712868 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "In" "In" "In" "In" "In" "In" "In" "In" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33417747 "source-unit" "angstrom" } "b" { "source-value" 10.5084573 "source-unit" "angstrom" } "c" { "source-value" 7.38187358 "source-unit" "angstrom" } }