{ "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" [ [ 0.5 0.968652 0.680723 ] [ 0 0.155039 0 ] [ 0 0.544504 0.877867 ] [ 0.5 0.455496 0.377867 ] [ 0.5 0.455496 0.622133 ] [ 0 0.544504 0.122133 ] [ 0 0.031348 0.180723 ] [ 0.5 0.844961 0.5 ] [ 0 0.031348 0.819277 ] [ 0.5 0.968652 0.319277 ] [ 0 0.753701 0.401055 ] [ 0.5 0.252866 0.5 ] [ 0.5 0.246299 0.098945 ] [ 0 0.255663 0.302321 ] [ 0.5 0.744337 0.197679 ] [ 0.5 0.744337 0.802321 ] [ 0.5 0.246299 0.901055 ] [ 0 0.747134 0 ] [ 0 0.255663 0.697679 ] [ 0 0.753701 0.598945 ] [ 0 0.119121 0.424122 ] [ 0.5 0.353872 0.222807 ] [ 0.5 0.488725 0 ] [ 0.5 0.353872 0.777193 ] [ 0 0.646128 0.277193 ] [ 0 0.646128 0.722807 ] [ 0.5 0.880879 0.075878 ] [ 0.5 0.880879 0.924122 ] [ 0 0.119121 0.575878 ] [ 0 0.511275 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "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" 3.96142076 "source-unit" "angstrom" } "b" { "source-value" 6.77649277 "source-unit" "angstrom" } "c" { "source-value" 19.68646732 "source-unit" "angstrom" } }