{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.401782 0.25 ] [ 0 0.598218 0.75 ] [ 0 0 0 ] [ 0.5 0.315134 0.56513 ] [ 0.5 0.067313 0.25 ] [ 0 0 0.5 ] [ 0.5 0.932687 0.75 ] [ 0.5 0.315134 0.93487 ] [ 0.5 0.684866 0.06513 ] [ 0.5 0.684866 0.43487 ] [ 0 0.804813 0.25 ] [ 0 0.195187 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "In" "In" "In" "In" "In" "In" "In" "In" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.29695545 "source-unit" "angstrom" } "b" { "source-value" 7.59448534 "source-unit" "angstrom" } "c" { "source-value" 8.79013427 "source-unit" "angstrom" } }