{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.438143 0.681093 ] [ 0.75 0.938143 0.818907 ] [ 0.25 0.561857 0.318907 ] [ 0.25 0.061857 0.181093 ] [ 0.75 0.178566 0.444349 ] [ 0.75 0.678566 0.055651 ] [ 0.25 0.821434 0.555651 ] [ 0.25 0.321434 0.944349 ] [ 0.75 0.017658 0.60868 ] [ 0.75 0.517658 0.89132 ] [ 0.25 0.982342 0.39132 ] [ 0.25 0.482342 0.10868 ] [ 0.75 0.142684 0.010203 ] [ 0.75 0.642684 0.489797 ] [ 0.25 0.857316 0.989797 ] [ 0.25 0.357316 0.510203 ] [ 0.75 0.301689 0.280626 ] [ 0.75 0.801689 0.219374 ] [ 0.25 0.698311 0.719374 ] [ 0.25 0.198311 0.780626 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "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" 3.84345634 "source-unit" "angstrom" } "b" { "source-value" 8.3069081 "source-unit" "angstrom" } "c" { "source-value" 13.79083352 "source-unit" "angstrom" } }