{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.491485 0.03845 0.25 ] [ 0.991485 0.46155 0.75 ] [ 0.008515 0.53845 0.25 ] [ 0.508515 0.96155 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.207128 0.291409 0.457968 ] [ 0.707128 0.208591 0.542032 ] [ 0.292872 0.791409 0.042032 ] [ 0.792872 0.708591 0.957968 ] [ 0.792872 0.708591 0.542032 ] [ 0.292872 0.791409 0.457968 ] [ 0.707128 0.208591 0.957968 ] [ 0.207128 0.291409 0.042032 ] [ 0.920319 0.972522 0.25 ] [ 0.420319 0.527478 0.75 ] [ 0.579681 0.472522 0.25 ] [ 0.079681 0.027478 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ca" "Ca" "Ca" "Ca" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.20942935 "source-unit" "angstrom" } "b" { "source-value" 6.31405681 "source-unit" "angstrom" } "c" { "source-value" 8.84176659 "source-unit" "angstrom" } }