{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.667294 0.5 0.835368 ] [ 0.332706 0 0.664632 ] [ 0.995256 0 0 ] [ 0.332706 0 0.335367 ] [ 0.667294 0.5 0.164633 ] [ 0.004744 0.5 0.5 ] [ 0.167744 0.750881 0.831841 ] [ 0.832256 0.749119 0.331841 ] [ 0.167744 0.750881 0.168159 ] [ 0.508362 0.748791 0.5 ] [ 0.491638 0.751209 0 ] [ 0.167744 0.249119 0.831841 ] [ 0.832256 0.749119 0.668159 ] [ 0.333365 0.5 0.664099 ] [ 0.167744 0.249119 0.168159 ] [ 0.666635 0 0.164099 ] [ 0.491638 0.248791 0 ] [ 0.832256 0.250881 0.668159 ] [ 0.981883 0.5 0 ] [ 0.333365 0.5 0.335901 ] [ 0.832256 0.250881 0.331841 ] [ 0.666635 0 0.835901 ] [ 0.018117 0 0.5 ] [ 0.508362 0.251209 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "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" 4.91266573 "source-unit" "angstrom" } "b" { "source-value" 5.58861043 "source-unit" "angstrom" } "c" { "source-value" 13.81122413 "source-unit" "angstrom" } }