{ "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 0.066367 0.75 ] [ 0 0.933633 0.25 ] [ 0.5 0.566367 0.75 ] [ 0.5 0.433633 0.25 ] [ 0.5 0.855119 0.952936 ] [ 0.5 0.144881 0.047064 ] [ 0.5 0.144881 0.452936 ] [ 0.5 0.855119 0.547064 ] [ 0 0.355119 0.952936 ] [ 0 0.644881 0.047064 ] [ 0 0.644881 0.452936 ] [ 0 0.355119 0.547064 ] [ 0 0.78877 0.75 ] [ 0 0.21123 0.25 ] [ 0.5 0.28877 0.75 ] [ 0.5 0.71123 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37191984 "source-unit" "angstrom" } "b" { "source-value" 10.94246496 "source-unit" "angstrom" } "c" { "source-value" 7.6343247 "source-unit" "angstrom" } }