{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.605203 0.75 0.264634 ] [ 0.105203 0.25 0.235366 ] [ 0.394797 0.25 0.735366 ] [ 0.894797 0.75 0.764634 ] [ 0.717878 0.415355 0.950259 ] [ 0.217878 0.584645 0.549741 ] [ 0.282122 0.915355 0.049741 ] [ 0.782122 0.084645 0.450259 ] [ 0.282122 0.584645 0.049741 ] [ 0.782122 0.415355 0.450259 ] [ 0.717878 0.084645 0.950259 ] [ 0.217878 0.915355 0.549741 ] [ 0.531464 0.418487 0.080002 ] [ 0.031464 0.581513 0.419998 ] [ 0.468536 0.918487 0.919998 ] [ 0.968536 0.081513 0.580002 ] [ 0.468536 0.581513 0.919998 ] [ 0.968536 0.418487 0.580002 ] [ 0.531464 0.081513 0.080002 ] [ 0.031464 0.918487 0.419998 ] [ 0.883883 0.426949 0.821408 ] [ 0.383883 0.573051 0.678592 ] [ 0.116117 0.926949 0.178592 ] [ 0.616117 0.073051 0.321408 ] [ 0.043158 0.75 0.015252 ] [ 0.543158 0.25 0.484748 ] [ 0.956842 0.25 0.984748 ] [ 0.456842 0.75 0.515252 ] [ 0.383883 0.926949 0.678592 ] [ 0.883883 0.073051 0.821408 ] [ 0.616117 0.426949 0.321408 ] [ 0.116117 0.573051 0.178592 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.56217734 "source-unit" "angstrom" } "b" { "source-value" 10.95102425 "source-unit" "angstrom" } "c" { "source-value" 16.3232949 "source-unit" "angstrom" } }