{ "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 0.893144 0.25 ] [ 0 0.106856 0.75 ] [ 0.5 0.393144 0.25 ] [ 0.5 0.606856 0.75 ] [ 0.5 0.249539 0.75 ] [ 0.5 0.750461 0.25 ] [ 0 0.749539 0.75 ] [ 0 0.250461 0.25 ] [ 0.5 0.189463 0.25 ] [ 0.5 0.810537 0.75 ] [ 0.5 0.961741 0.75 ] [ 0.5 0.038259 0.25 ] [ 0 0.689463 0.25 ] [ 0 0.310537 0.75 ] [ 0 0.461741 0.75 ] [ 0 0.538259 0.25 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Fe" "Fe" "Fe" "Fe" "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" 4.1255797136 "source-unit" "angstrom" } "b" { "source-value" 17.0122811346 "source-unit" "angstrom" } "c" { "source-value" 4.03015335 "source-unit" "angstrom" } }