{ "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" [ [ 0.950542 0.495125 0.172027 ] [ 0.950542 0.004875 0.172027 ] [ 0.450542 0.504875 0.327973 ] [ 0.450542 0.995125 0.327973 ] [ 0.049458 0.504875 0.827973 ] [ 0.549458 0.495125 0.672027 ] [ 0.049458 0.995125 0.827973 ] [ 0.549458 0.004875 0.672027 ] [ 0.07622 0.25 0.505487 ] [ 0.92378 0.75 0.494513 ] [ 0.42378 0.25 0.005487 ] [ 0.57622 0.75 0.994513 ] [ 0.836609 0.042777 0.422329 ] [ 0.663391 0.042777 0.922329 ] [ 0.163391 0.542777 0.577671 ] [ 0.57847 0.75 0.492183 ] [ 0.42153 0.25 0.507817 ] [ 0.163391 0.957223 0.577671 ] [ 0.92153 0.75 0.992183 ] [ 0.336609 0.542777 0.077671 ] [ 0.336609 0.957223 0.077671 ] [ 0.836551 0.75 0.703588 ] [ 0.163449 0.25 0.296412 ] [ 0.836609 0.457223 0.422329 ] [ 0.336551 0.25 0.796412 ] [ 0.8735 0.25 0.67903 ] [ 0.07847 0.25 0.007817 ] [ 0.663449 0.75 0.203588 ] [ 0.6265 0.25 0.17903 ] [ 0.663391 0.457223 0.922329 ] [ 0.3735 0.75 0.82097 ] [ 0.1265 0.75 0.32097 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Pr" "Pr" "Pr" "Pr" "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" 8.1622792 "source-unit" "angstrom" } "b" { "source-value" 8.8510816 "source-unit" "angstrom" } "c" { "source-value" 13.03368979 "source-unit" "angstrom" } }