{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.088779 0.684833 ] [ 0.5 0.911221 0.315167 ] [ 0.5 0.411221 0.184833 ] [ 0.5 0.588779 0.815167 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.74608 0.543138 ] [ 0.5 0.25392 0.456862 ] [ 0 0.125719 0.203063 ] [ 0 0.874281 0.796937 ] [ 0 0.625719 0.296937 ] [ 0 0.374281 0.703063 ] [ 0.5 0.24608 0.956862 ] [ 0.5 0.75392 0.043138 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cd" "Cd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.9982403 "source-unit" "angstrom" } "b" { "source-value" 7.09750173 "source-unit" "angstrom" } "c" { "source-value" 12.14078274 "source-unit" "angstrom" } }