{ "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 0.4152 0.175055 ] [ 0.25 0.5848 0.824945 ] [ 0.75 0.9152 0.324945 ] [ 0.25 0.0848 0.675055 ] [ 0.75 0.166186 0.940692 ] [ 0.25 0.333814 0.440692 ] [ 0.75 0.666186 0.559308 ] [ 0.25 0.833814 0.059308 ] [ 0.25 0.975729 0.887291 ] [ 0.25 0.475729 0.612709 ] [ 0.75 0.524271 0.387291 ] [ 0.75 0.804927 0.713923 ] [ 0.75 0.304927 0.786077 ] [ 0.25 0.695073 0.213923 ] [ 0.25 0.339777 0.007727 ] [ 0.25 0.195073 0.286077 ] [ 0.75 0.160223 0.507727 ] [ 0.75 0.660223 0.992273 ] [ 0.25 0.839777 0.492273 ] [ 0.75 0.024271 0.112709 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86347019 "source-unit" "angstrom" } "b" { "source-value" 10.62593324 "source-unit" "angstrom" } "c" { "source-value" 17.78437326 "source-unit" "angstrom" } }