{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.2465 0.079457 0.122553 ] [ 0.7465 0.920543 0.377447 ] [ 0.2535 0.579457 0.377447 ] [ 0.7535 0.420543 0.122553 ] [ 0.2465 0.579457 0.877447 ] [ 0.7465 0.420543 0.622553 ] [ 0.2535 0.079457 0.622553 ] [ 0.7535 0.920543 0.877447 ] [ 0.5 0.75 0.122977 ] [ 0 0.25 0.377023 ] [ 0.5 0.25 0.877023 ] [ 0 0.75 0.622977 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 4.7541051 "source-unit" "angstrom" } "b" { "source-value" 5.24148067 "source-unit" "angstrom" } "c" { "source-value" 6.07648521 "source-unit" "angstrom" } }