{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.25 ] [ 0.5 0.75 0.75 ] [ 0.5 0.25 0.25 ] [ 0 0.25 0.75 ] [ 0 0.07527 0.25 ] [ 0.5 0.07527 0.75 ] [ 0 0.92473 0.75 ] [ 0.5 0.92473 0.25 ] [ 0.5 0.57527 0.25 ] [ 0 0.57527 0.75 ] [ 0.5 0.42473 0.75 ] [ 0 0.42473 0.25 ] [ 0.346738 0.8557 0.098777 ] [ 0.653262 0.8557 0.401223 ] [ 0.846738 0.8557 0.901223 ] [ 0.653262 0.1443 0.901223 ] [ 0.346738 0.1443 0.598777 ] [ 0.846738 0.1443 0.401223 ] [ 0.153262 0.1443 0.098777 ] [ 0.153262 0.8557 0.598777 ] [ 0.846738 0.3557 0.098777 ] [ 0.153262 0.3557 0.401223 ] [ 0.346738 0.3557 0.901223 ] [ 0.153262 0.6443 0.901223 ] [ 0.846738 0.6443 0.598777 ] [ 0.346738 0.6443 0.401223 ] [ 0.653262 0.6443 0.098777 ] [ 0.653262 0.3557 0.598777 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 6.11976893621 "source-unit" "angstrom" } "b" { "source-value" 12.9342094262 "source-unit" "angstrom" } "c" { "source-value" 6.11338844 "source-unit" "angstrom" } }