{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.851482 ] [ 0.5 0 0.148518 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.351482 ] [ 0 0.5 0.648518 ] [ 0.5 0.5 0.049732 ] [ 0.5 0.5 0.950268 ] [ 0 0.5 0.199155 ] [ 0 0.5 0.800845 ] [ 0 0 0.549732 ] [ 0 0 0.450268 ] [ 0.5 0 0.699155 ] [ 0.5 0 0.300845 ] [ 0 0 0.249965 ] [ 0 0.5 0.099662 ] [ 0 0.5 0.900338 ] [ 0 0 0.750035 ] [ 0.5 0.5 0.749965 ] [ 0.5 0 0.599662 ] [ 0.5 0 0.400338 ] [ 0.5 0.5 0.250035 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15281620521 "source-unit" "angstrom" } "b" { "source-value" 4.18792972162 "source-unit" "angstrom" } "c" { "source-value" 24.1563940741 "source-unit" "angstrom" } }