{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.019399 0.184365 ] [ 0.25 0.519399 0.315635 ] [ 0.75 0.480601 0.684365 ] [ 0.75 0.980601 0.815635 ] [ 0.75 0.356482 0.061968 ] [ 0.75 0.856482 0.438032 ] [ 0.25 0.143518 0.561968 ] [ 0.25 0.643518 0.938032 ] [ 0.75 0.736894 0.116762 ] [ 0.75 0.236894 0.383238 ] [ 0.25 0.763106 0.616762 ] [ 0.25 0.263106 0.883238 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.76715323 "source-unit" "angstrom" } "b" { "source-value" 7.96810894 "source-unit" "angstrom" } "c" { "source-value" 8.94531266 "source-unit" "angstrom" } }