{ "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" [ [ 0.5 0.758228 0.25 ] [ 0.5 0.241772 0.75 ] [ 0 0.258228 0.25 ] [ 0 0.741772 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.039846 0.25 ] [ 0.5 0.960154 0.75 ] [ 0 0.539846 0.25 ] [ 0 0.460154 0.75 ] [ 0.5 0.116822 0.058606 ] [ 0 0.054079 0.75 ] [ 0.5 0.116822 0.441394 ] [ 0 0.945921 0.25 ] [ 0.5 0.883178 0.941394 ] [ 0.5 0.883178 0.558606 ] [ 0 0.616822 0.058606 ] [ 0.5 0.554079 0.75 ] [ 0 0.616822 0.441394 ] [ 0.5 0.445921 0.25 ] [ 0 0.383178 0.941394 ] [ 0 0.383178 0.558606 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Y" "Y" "Y" "Y" "Zn" "Zn" "Zn" "Zn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18110004 "source-unit" "angstrom" } "b" { "source-value" 16.2179852 "source-unit" "angstrom" } "c" { "source-value" 11.03437789 "source-unit" "angstrom" } }