{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.158884 0.081906 ] [ 0.25 0.658884 0.418094 ] [ 0.75 0.841116 0.918094 ] [ 0.75 0.341116 0.581906 ] [ 0.25 0.491624 0.809401 ] [ 0.25 0.991624 0.690599 ] [ 0.75 0.508376 0.190599 ] [ 0.75 0.008376 0.309401 ] [ 0.25 0.73581 0.088491 ] [ 0.25 0.23581 0.411509 ] [ 0.75 0.26419 0.911509 ] [ 0.75 0.76419 0.588491 ] [ 0.25 0.521853 0.087287 ] [ 0.25 0.021853 0.412713 ] [ 0.75 0.478147 0.912713 ] [ 0.75 0.978147 0.587287 ] [ 0.25 0.818151 0.940353 ] [ 0.25 0.318151 0.559647 ] [ 0.75 0.181849 0.059647 ] [ 0.75 0.681849 0.440353 ] [ 0.020534 0.812809 0.159372 ] [ 0.479466 0.312809 0.340628 ] [ 0.520534 0.187191 0.840628 ] [ 0.979466 0.687191 0.659372 ] [ 0.979466 0.187191 0.840628 ] [ 0.520534 0.687191 0.659372 ] [ 0.479466 0.812809 0.159372 ] [ 0.020534 0.312809 0.340628 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mg" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.63419727 "source-unit" "angstrom" } "b" { "source-value" 8.65690776 "source-unit" "angstrom" } "c" { "source-value" 11.70448524 "source-unit" "angstrom" } }