{ "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 0.502695 0.789969 ] [ 0.25 0.497305 0.210031 ] [ 0.75 0.002695 0.710031 ] [ 0.25 0.997305 0.289969 ] [ 0.25 0.17501 0.918381 ] [ 0.75 0.82499 0.081619 ] [ 0.25 0.67501 0.581619 ] [ 0.75 0.32499 0.418381 ] [ 0.25 0.291476 0.582937 ] [ 0.75 0.708524 0.417063 ] [ 0.25 0.791476 0.917063 ] [ 0.75 0.208524 0.082937 ] [ 0.25 0.232931 0.72615 ] [ 0.75 0.767069 0.27385 ] [ 0.25 0.732931 0.77385 ] [ 0.75 0.267069 0.22615 ] [ 0.75 0.042204 0.084785 ] [ 0.25 0.957796 0.915215 ] [ 0.75 0.542204 0.415215 ] [ 0.25 0.457796 0.584785 ] [ 0.969963 0.265311 0.009797 ] [ 0.469963 0.734689 0.990203 ] [ 0.530037 0.765311 0.490203 ] [ 0.030037 0.234689 0.509797 ] [ 0.030037 0.734689 0.990203 ] [ 0.530037 0.265311 0.009797 ] [ 0.469963 0.234689 0.509797 ] [ 0.969963 0.765311 0.490203 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52169735 "source-unit" "angstrom" } "b" { "source-value" 8.91124895 "source-unit" "angstrom" } "c" { "source-value" 9.72474327 "source-unit" "angstrom" } }