{ "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 0.673952 0.981182 ] [ 0.25 0.48737 0.675801 ] [ 0.75 0.173952 0.518818 ] [ 0.75 0.51263 0.324199 ] [ 0.25 0.826048 0.481182 ] [ 0.25 0.98737 0.824199 ] [ 0.25 0.326048 0.018818 ] [ 0.75 0.01263 0.175801 ] [ 0.75 0.752482 0.697511 ] [ 0.25 0.747518 0.197511 ] [ 0.25 0.247518 0.302489 ] [ 0.75 0.252482 0.802489 ] [ 0.25 0.224551 0.712266 ] [ 0.25 0.724551 0.787734 ] [ 0.75 0.275449 0.212266 ] [ 0.75 0.775449 0.287734 ] [ 0.25 0.564333 0.141093 ] [ 0.75 0.435667 0.858907 ] [ 0.25 0.865621 0.053652 ] [ 0.75 0.634379 0.553652 ] [ 0.75 0.134379 0.946348 ] [ 0.25 0.064333 0.358907 ] [ 0.25 0.365621 0.446348 ] [ 0.75 0.935667 0.641093 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "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" 4.16776541 "source-unit" "angstrom" } "b" { "source-value" 12.23904441 "source-unit" "angstrom" } "c" { "source-value" 12.6923826 "source-unit" "angstrom" } }