{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.123794 ] [ 0.5 0.25 0.876206 ] [ 0 0.25 0.623794 ] [ 0 0.75 0.376206 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.25 0.210213 ] [ 0.5 0.75 0.789787 ] [ 0 0.75 0.710213 ] [ 0 0.25 0.289787 ] [ 0.208835 0.062006 0.125249 ] [ 0 0.25 0.929216 ] [ 0.791165 0.062006 0.125249 ] [ 0.208835 0.437994 0.125249 ] [ 0.208835 0.562006 0.874751 ] [ 0.791165 0.437994 0.125249 ] [ 0.791165 0.562006 0.874751 ] [ 0.208835 0.937994 0.874751 ] [ 0 0.75 0.070784 ] [ 0.791165 0.937994 0.874751 ] [ 0.708835 0.562006 0.625249 ] [ 0.5 0.75 0.429216 ] [ 0.291165 0.562006 0.625249 ] [ 0.708835 0.937994 0.625249 ] [ 0.708835 0.062006 0.374751 ] [ 0.291165 0.937994 0.625249 ] [ 0.291165 0.062006 0.374751 ] [ 0.708835 0.437994 0.374751 ] [ 0.5 0.25 0.570784 ] [ 0.291165 0.437994 0.374751 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Ti" "Ti" "Zn" "Zn" "Zn" "Zn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.30136797 "source-unit" "angstrom" } "b" { "source-value" 7.45381017 "source-unit" "angstrom" } "c" { "source-value" 10.75770519 "source-unit" "angstrom" } }