{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.24575 0.325353 ] [ 0.5 0.75425 0.825353 ] [ 0.5 0.75425 0.174647 ] [ 0 0.242976 0 ] [ 0.5 0.757024 0.5 ] [ 0 0.24575 0.674647 ] [ 0 0.523566 0.126345 ] [ 0 0.86187 0.336536 ] [ 0 0.829117 0 ] [ 0.5 0.476434 0.373655 ] [ 0.5 0.170883 0.5 ] [ 0 0.523566 0.873655 ] [ 0.5 0.476434 0.626345 ] [ 0 0.86187 0.663464 ] [ 0.5 0.13813 0.163464 ] [ 0.5 0.13813 0.836536 ] [ 0 0.991602 0.161052 ] [ 0.5 0.008398 0.338948 ] [ 0.5 0.396444 0.182453 ] [ 0.5 0.523199 0 ] [ 0 0.476801 0.5 ] [ 0 0.603556 0.317547 ] [ 0 0.603556 0.682453 ] [ 0.5 0.984536 0 ] [ 0 0.991602 0.838948 ] [ 0.5 0.396444 0.817547 ] [ 0 0.015464 0.5 ] [ 0.5 0.008398 0.661052 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "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" 4.48878233 "source-unit" "angstrom" } "b" { "source-value" 10.13797447 "source-unit" "angstrom" } "c" { "source-value" 13.59862932 "source-unit" "angstrom" } }