{ "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" [ [ 0.25 0.756602 0.25 ] [ 0.75 0.243398 0.75 ] [ 0.25 0.754951 0.573512 ] [ 0.75 0.245049 0.426488 ] [ 0.25 0.754951 0.926488 ] [ 0.75 0.245049 0.073512 ] [ 0.25 0.476181 0.376367 ] [ 0.75 0.523819 0.623633 ] [ 0.25 0.476181 0.123633 ] [ 0.75 0.523819 0.876367 ] [ 0.25 0.137234 0.587295 ] [ 0.75 0.862766 0.412705 ] [ 0.25 0.137234 0.912705 ] [ 0.75 0.862766 0.087295 ] [ 0.25 0.173124 0.25 ] [ 0.75 0.826876 0.75 ] [ 0.25 0.009732 0.409954 ] [ 0.75 0.990268 0.590046 ] [ 0.25 0.009732 0.090046 ] [ 0.75 0.990268 0.909954 ] [ 0.75 0.018547 0.25 ] [ 0.25 0.981453 0.75 ] [ 0.25 0.397332 0.567762 ] [ 0.75 0.602668 0.432238 ] [ 0.25 0.397332 0.932238 ] [ 0.75 0.602668 0.067762 ] [ 0.75 0.472466 0.25 ] [ 0.25 0.527534 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "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" 4.4944465 "source-unit" "angstrom" } "b" { "source-value" 10.1262349 "source-unit" "angstrom" } "c" { "source-value" 13.59179318 "source-unit" "angstrom" } }