{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.025345 0.286061 ] [ 0.25 0.474655 0.786061 ] [ 0.75 0.190039 0.949889 ] [ 0.25 0.309961 0.449889 ] [ 0.75 0.690039 0.550111 ] [ 0.25 0.809961 0.050111 ] [ 0.25 0.974655 0.713939 ] [ 0.75 0.525345 0.213939 ] [ 0.25 0.768288 0.356334 ] [ 0.25 0.268288 0.143666 ] [ 0.75 0.731712 0.856334 ] [ 0.75 0.231712 0.643666 ] [ 0.25 0.189204 0.965306 ] [ 0.25 0.031636 0.257804 ] [ 0.75 0.968364 0.742196 ] [ 0.75 0.310796 0.465306 ] [ 0.25 0.531636 0.242196 ] [ 0.25 0.689204 0.534694 ] [ 0.75 0.810796 0.034694 ] [ 0.75 0.468364 0.757804 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41256057 "source-unit" "angstrom" } "b" { "source-value" 6.74291167 "source-unit" "angstrom" } "c" { "source-value" 10.32347075 "source-unit" "angstrom" } }