{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.836959 0.08951 ] [ 0.25 0.415924 0.854799 ] [ 0.25 0.084076 0.354799 ] [ 0.75 0.915924 0.645201 ] [ 0.75 0.163041 0.91049 ] [ 0.75 0.82933 0.400533 ] [ 0.75 0.584076 0.145201 ] [ 0.25 0.663041 0.58951 ] [ 0.25 0.17067 0.599467 ] [ 0.75 0.336959 0.41049 ] [ 0.75 0.67067 0.900533 ] [ 0.25 0.32933 0.099467 ] [ 0.25 0.903832 0.515656 ] [ 0.75 0.403832 0.984344 ] [ 0.25 0.596168 0.015656 ] [ 0.75 0.096168 0.484344 ] [ 0.75 0.898699 0.955777 ] [ 0.25 0.101301 0.044223 ] [ 0.25 0.398699 0.544223 ] [ 0.75 0.942524 0.213269 ] [ 0.75 0.601301 0.455777 ] [ 0.75 0.223177 0.235276 ] [ 0.25 0.057476 0.786731 ] [ 0.25 0.723177 0.264724 ] [ 0.75 0.276823 0.735276 ] [ 0.75 0.557476 0.713269 ] [ 0.25 0.442524 0.286731 ] [ 0.25 0.776823 0.764724 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ru" "Ru" "Ru" "Ru" "Cl" "Cl" "Cl" "Cl" "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" 4.10733776 "source-unit" "angstrom" } "b" { "source-value" 12.45886777 "source-unit" "angstrom" } "c" { "source-value" 14.51643318 "source-unit" "angstrom" } }