{ "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 0.479813 0.186028 ] [ 0.25 0.520187 0.813972 ] [ 0.25 0.020187 0.686028 ] [ 0.75 0.979813 0.313972 ] [ 0.75 0.334597 0.570801 ] [ 0.25 0.665403 0.429199 ] [ 0.75 0.834597 0.929199 ] [ 0.25 0.165403 0.070801 ] [ 0.75 0.21248 0.889326 ] [ 0.75 0.71248 0.610674 ] [ 0.25 0.78752 0.110674 ] [ 0.25 0.28752 0.389326 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63028017 "source-unit" "angstrom" } "b" { "source-value" 7.3811607 "source-unit" "angstrom" } "c" { "source-value" 8.13435712 "source-unit" "angstrom" } }