{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.161165 0.680139 ] [ 0.75 0.838835 0.319861 ] [ 0.75 0.661165 0.819861 ] [ 0.25 0.338835 0.180139 ] [ 0.25 0.688429 0.569517 ] [ 0.75 0.311571 0.430483 ] [ 0.75 0.188429 0.930483 ] [ 0.25 0.811571 0.069517 ] [ 0.25 0.595432 0.427938 ] [ 0.75 0.404568 0.572062 ] [ 0.75 0.095432 0.072062 ] [ 0.25 0.904568 0.927938 ] [ 0.543948 0.196443 0.419195 ] [ 0.043948 0.803557 0.580805 ] [ 0.456052 0.696443 0.080805 ] [ 0.956052 0.303557 0.919195 ] [ 0.25 0.940607 0.191849 ] [ 0.75 0.059393 0.808151 ] [ 0.75 0.440607 0.308151 ] [ 0.25 0.559393 0.691849 ] [ 0.043948 0.696443 0.080805 ] [ 0.543948 0.303557 0.919195 ] [ 0.956052 0.196443 0.419195 ] [ 0.456052 0.803557 0.580805 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "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" 5.79013448 "source-unit" "angstrom" } "b" { "source-value" 7.41812879 "source-unit" "angstrom" } "c" { "source-value" 9.02232637 "source-unit" "angstrom" } }