{ "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" [ [ 0.323746 0 0.648545 ] [ 0.978432 0.290721 0.177075 ] [ 0.978432 0.709279 0.177075 ] [ 0.765216 0 0.773827 ] [ 0.823746 0.5 0.648545 ] [ 0.478432 0.790721 0.177075 ] [ 0.478432 0.209279 0.177075 ] [ 0.265216 0.5 0.773827 ] [ 0.990691 0 0.421449 ] [ 0.490691 0.5 0.421449 ] [ 0.159302 0 0.244438 ] [ 0.007894 0.170175 0.586479 ] [ 0.007894 0.829825 0.586479 ] [ 0.789804 0 0.254164 ] [ 0.659302 0.5 0.244438 ] [ 0.507894 0.670175 0.586479 ] [ 0.507894 0.329825 0.586479 ] [ 0.289804 0.5 0.254164 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 6.3724202464 "source-unit" "angstrom" } "b" { "source-value" 6.88119208036 "source-unit" "angstrom" } "c" { "source-value" 5.0911112486 "source-unit" "angstrom" } "beta" { "source-value" 95.3227914857 "source-unit" "degree" } }