{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.917998 0.566173 0.626456 ] [ 0.082002 0.433827 0.373544 ] [ 0.285164 0.214495 0.721881 ] [ 0.714836 0.785505 0.278119 ] [ 0.1316 0.370068 0.599534 ] [ 0.8684 0.629932 0.400466 ] [ 0.561949 0.184644 0.624651 ] [ 0.73047 0.753012 0.064292 ] [ 0.995968 0.240737 0.345095 ] [ 0.738482 0.030718 0.203239 ] [ 0.004032 0.759263 0.654905 ] [ 0.261518 0.969282 0.796761 ] [ 0.26953 0.246988 0.935708 ] [ 0.438051 0.815356 0.375349 ] [ 0.306914 0.509326 0.188203 ] [ 0.693086 0.490674 0.811797 ] ] } "species" { "source-value" [ "Al" "Al" "P" "P" "N" "N" "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" 7.40830362328 "source-unit" "angstrom" } "b" { "source-value" 8.70003722617 "source-unit" "angstrom" } "c" { "source-value" 8.80284189645 "source-unit" "angstrom" } "alpha" { "source-value" 64.1908651056 "source-unit" "degree" } "beta" { "source-value" 76.7345231623 "source-unit" "degree" } "gamma" { "source-value" 67.8817509164 "source-unit" "degree" } }