{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.083272 0.681269 ] [ 0.5 0.916728 0.318731 ] [ 0.5 0.416728 0.181269 ] [ 0.5 0.583272 0.818731 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.737596 0.543956 ] [ 0.5 0.262404 0.456044 ] [ 0 0.12246 0.195042 ] [ 0 0.87754 0.804958 ] [ 0 0.62246 0.304958 ] [ 0 0.37754 0.695042 ] [ 0.5 0.237596 0.956044 ] [ 0.5 0.762404 0.043956 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "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" 3.87850599 "source-unit" "angstrom" } "b" { "source-value" 6.96657846 "source-unit" "angstrom" } "c" { "source-value" 12.04935648 "source-unit" "angstrom" } }