{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.002962 0.75 ] [ 0 0.178196 0.25 ] [ 0 0.821804 0.75 ] [ 0 0.997038 0.25 ] [ 0.5 0.502962 0.75 ] [ 0.5 0.678196 0.25 ] [ 0.5 0.321804 0.75 ] [ 0.5 0.497038 0.25 ] [ 0.5 0.147824 0.75 ] [ 0.5 0.852176 0.25 ] [ 0 0.647824 0.75 ] [ 0 0.352176 0.25 ] [ 0 0.798058 0.25 ] [ 0 0.201942 0.75 ] [ 0.5 0.088504 0.997814 ] [ 0.5 0.911496 0.002186 ] [ 0.5 0.088504 0.502186 ] [ 0.5 0.911496 0.497814 ] [ 0.5 0.298058 0.25 ] [ 0.5 0.701942 0.75 ] [ 0 0.588504 0.997814 ] [ 0 0.411496 0.002186 ] [ 0 0.588504 0.502186 ] [ 0 0.411496 0.497814 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.27380964779 "source-unit" "angstrom" } "b" { "source-value" 23.4611571573 "source-unit" "angstrom" } "c" { "source-value" 7.88965532 "source-unit" "angstrom" } }