{ "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" [ [ 0.996419 0.25 0.646588 ] [ 0.003581 0.75 0.353412 ] [ 0.496419 0.75 0.853412 ] [ 0.503581 0.25 0.146588 ] [ 0.534315 0.75 0.586956 ] [ 0.965685 0.75 0.086956 ] [ 0.034315 0.25 0.913044 ] [ 0.465685 0.25 0.413044 ] [ 0.006576 0.538345 0.151244 ] [ 0.493424 0.538345 0.651244 ] [ 0.161397 0.25 0.444568 ] [ 0.006576 0.961655 0.151244 ] [ 0.838603 0.75 0.555432 ] [ 0.506576 0.038345 0.348756 ] [ 0.338603 0.25 0.944568 ] [ 0.993424 0.038345 0.848756 ] [ 0.661397 0.75 0.055432 ] [ 0.506576 0.461655 0.348756 ] [ 0.493424 0.961655 0.651244 ] [ 0.993424 0.461655 0.848756 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.73665857 "source-unit" "angstrom" } "b" { "source-value" 5.71955706 "source-unit" "angstrom" } "c" { "source-value" 13.66505079 "source-unit" "angstrom" } }