{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.202455 0.23194 0.093185 ] [ 0.823713 0.747786 0.625208 ] [ 0.823713 0.252214 0.625208 ] [ 0.202455 0.76806 0.093185 ] [ 0.702455 0.73194 0.093185 ] [ 0.323713 0.247786 0.625208 ] [ 0.323713 0.752214 0.625208 ] [ 0.702455 0.26806 0.093185 ] [ 0.980313 0 0.415062 ] [ 0.480313 0.5 0.415062 ] [ 0.794067 0 0.364912 ] [ 0.024419 0.849732 0.325426 ] [ 0.083616 0 0.671037 ] [ 0.024419 0.150268 0.325426 ] [ 0.294067 0.5 0.364912 ] [ 0.524419 0.349732 0.325426 ] [ 0.583616 0.5 0.671037 ] [ 0.524419 0.650268 0.325426 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "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" 8.16733214714 "source-unit" "angstrom" } "b" { "source-value" 7.77589350798 "source-unit" "angstrom" } "c" { "source-value" 6.39166217063 "source-unit" "angstrom" } "beta" { "source-value" 113.748965083 "source-unit" "degree" } }