{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.314422 0.5 ] [ 0 0.685578 0.5 ] [ 0.5 0.814422 0.5 ] [ 0.5 0.185578 0.5 ] [ 0.781919 0 0.192093 ] [ 0.218081 0 0.807907 ] [ 0.281919 0.5 0.192093 ] [ 0.718081 0.5 0.807907 ] [ 0.716536 0 0.868306 ] [ 0.283464 0 0.131694 ] [ 0 0.189378 0 ] [ 0 0.810622 0 ] [ 0.216536 0.5 0.868306 ] [ 0.783464 0.5 0.131694 ] [ 0.5 0.689378 0 ] [ 0.5 0.310622 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "H" "H" "H" "H" "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" 6.85339820306 "source-unit" "angstrom" } "b" { "source-value" 7.58506864 "source-unit" "angstrom" } "c" { "source-value" 3.42740382283 "source-unit" "angstrom" } "beta" { "source-value" 118.643989084 "source-unit" "degree" } }