{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.898728 0.25 ] [ 0 0.101272 0.75 ] [ 0.5 0.398728 0.25 ] [ 0.5 0.601272 0.75 ] [ 0 0.75023 0.75 ] [ 0 0.24977 0.25 ] [ 0.5 0.25023 0.75 ] [ 0.5 0.74977 0.25 ] [ 0.5 0.177827 0.25 ] [ 0.5 0.822173 0.75 ] [ 0.5 0.963464 0.75 ] [ 0.5 0.036536 0.25 ] [ 0 0.677827 0.25 ] [ 0 0.322173 0.75 ] [ 0 0.463464 0.75 ] [ 0 0.536536 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07435877 "source-unit" "angstrom" } "b" { "source-value" 17.59558403 "source-unit" "angstrom" } "c" { "source-value" 3.98609437 "source-unit" "angstrom" } }