{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.536117 0.82743 ] [ 0.5 0.963883 0.32743 ] [ 0.5 0.463883 0.17257 ] [ 0.5 0.036117 0.67257 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.828573 0.803505 ] [ 0 0 0.5 ] [ 0 0.171427 0.196495 ] [ 0 0.328573 0.696495 ] [ 0.5 0.826258 0.093203 ] [ 0.5 0.326258 0.406797 ] [ 0 0.671427 0.303505 ] [ 0.5 0.173742 0.906797 ] [ 0 0.5 0 ] [ 0.5 0.673742 0.593203 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.858947 "source-unit" "angstrom" } "b" { "source-value" 7.79802948 "source-unit" "angstrom" } "c" { "source-value" 11.37985094 "source-unit" "angstrom" } }