{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.732334 0.04463 0.612323 ] [ 0.232334 0.95537 0.887677 ] [ 0.767666 0.54463 0.387677 ] [ 0.267666 0.45537 0.112323 ] [ 0.267666 0.95537 0.387677 ] [ 0.767666 0.04463 0.112323 ] [ 0.232334 0.45537 0.612323 ] [ 0.732334 0.54463 0.887677 ] [ 0.999879 0.237816 0.47235 ] [ 0.499879 0.762184 0.02765 ] [ 0.500121 0.737816 0.52765 ] [ 0.000121 0.262184 0.97235 ] [ 0.000121 0.762184 0.52765 ] [ 0.500121 0.237816 0.97235 ] [ 0.499879 0.262184 0.47235 ] [ 0.999879 0.737816 0.02765 ] [ 0.862841 0.879042 0.791422 ] [ 0.362841 0.120958 0.708578 ] [ 0.637159 0.379042 0.208578 ] [ 0.137159 0.620958 0.291422 ] [ 0.137159 0.120958 0.208578 ] [ 0.637159 0.879042 0.291422 ] [ 0.362841 0.620958 0.791422 ] [ 0.862841 0.379042 0.708578 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 6.63542191 "source-unit" "angstrom" } "b" { "source-value" 6.85063816 "source-unit" "angstrom" } "c" { "source-value" 13.04745305 "source-unit" "angstrom" } }