{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.502425 0.358211 ] [ 0.75 0.497575 0.641789 ] [ 0.75 0.002425 0.141789 ] [ 0.25 0.997575 0.858211 ] [ 0.25 0.777518 0.6947 ] [ 0.75 0.483347 0.068208 ] [ 0.75 0.802088 0.317903 ] [ 0.25 0.634704 0.531482 ] [ 0.75 0.697912 0.817903 ] [ 0.25 0.983347 0.431792 ] [ 0.75 0.365296 0.468518 ] [ 0.25 0.865296 0.031482 ] [ 0.25 0.197912 0.682097 ] [ 0.75 0.016653 0.568208 ] [ 0.75 0.222482 0.3053 ] [ 0.25 0.516653 0.931792 ] [ 0.75 0.277518 0.8053 ] [ 0.75 0.134704 0.968518 ] [ 0.25 0.722482 0.1947 ] [ 0.25 0.302088 0.182097 ] [ 0.25 0.017343 0.286211 ] [ 0.25 0.250211 0.535003 ] [ 0.75 0.750211 0.964997 ] [ 0.25 0.482657 0.786211 ] [ 0.25 0.249789 0.035003 ] [ 0.75 0.749789 0.464997 ] [ 0.75 0.517343 0.213789 ] [ 0.75 0.982657 0.713789 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.52594087 "source-unit" "angstrom" } "b" { "source-value" 7.25809234 "source-unit" "angstrom" } "c" { "source-value" 18.7070396 "source-unit" "angstrom" } }