{ "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" [ [ 0.525785 0.75 0.354014 ] [ 0.025785 0.25 0.145986 ] [ 0.974215 0.75 0.854014 ] [ 0.474215 0.25 0.645986 ] [ 0.157629 0.25 0.03383 ] [ 0.657629 0.75 0.46617 ] [ 0.842371 0.75 0.96617 ] [ 0.342371 0.25 0.53383 ] [ 0.153791 0.25 0.422083 ] [ 0.846209 0.75 0.577917 ] [ 0.346209 0.25 0.922083 ] [ 0.653791 0.75 0.077917 ] [ 0.128746 0.461184 0.19257 ] [ 0.720279 0.25 0.16764 ] [ 0.371254 0.038816 0.69257 ] [ 0.371254 0.461184 0.69257 ] [ 0.628746 0.538816 0.30743 ] [ 0.628746 0.961184 0.30743 ] [ 0.779721 0.25 0.66764 ] [ 0.279721 0.75 0.83236 ] [ 0.871254 0.538816 0.80743 ] [ 0.871254 0.961184 0.80743 ] [ 0.220279 0.75 0.33236 ] [ 0.128746 0.038816 0.19257 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.94113877 "source-unit" "angstrom" } "b" { "source-value" 5.65697971 "source-unit" "angstrom" } "c" { "source-value" 18.78554041 "source-unit" "angstrom" } }