{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.521836 0.5 0.25 ] [ 0.978164 0 0.25 ] [ 0.021836 0 0.75 ] [ 0.478164 0.5 0.75 ] [ 0.25 0.25 0.400209 ] [ 0.25 0.75 0.099791 ] [ 0.25 0.75 0.400209 ] [ 0.25 0.25 0.099791 ] [ 0.75 0.75 0.900209 ] [ 0.75 0.25 0.599791 ] [ 0.75 0.25 0.900209 ] [ 0.75 0.75 0.599791 ] ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.7813282758 "source-unit" "angstrom" } "b" { "source-value" 5.52875304793 "source-unit" "angstrom" } "c" { "source-value" 9.5936782738 "source-unit" "angstrom" } }