{ "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 0.487464 0.1938 ] [ 0.25 0.012536 0.6938 ] [ 0.75 0.987464 0.3062 ] [ 0.25 0.512536 0.8062 ] [ 0.25 0.675442 0.416209 ] [ 0.25 0.175442 0.083791 ] [ 0.75 0.324558 0.583791 ] [ 0.75 0.824558 0.916209 ] [ 0.25 0.790132 0.091945 ] [ 0.25 0.290132 0.408055 ] [ 0.75 0.709868 0.591945 ] [ 0.75 0.209868 0.908055 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Sn" "Sn" "Sn" "Sn" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66004368 "source-unit" "angstrom" } "b" { "source-value" 7.54140966 "source-unit" "angstrom" } "c" { "source-value" 8.15741228 "source-unit" "angstrom" } }