{ "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 0 ] [ 0.5 0.5 0 ] [ 0.661414 0 0.729121 ] [ 0.338586 0 0.270879 ] [ 0.161414 0.5 0.729121 ] [ 0.838586 0.5 0.270879 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.76483 0 0.54817 ] [ 0.763448 0 0.913332 ] [ 0.045648 0.736256 0.702228 ] [ 0.045648 0.263744 0.702228 ] [ 0.954352 0.736256 0.297772 ] [ 0.954352 0.263744 0.297772 ] [ 0.236552 0 0.086668 ] [ 0.23517 0 0.45183 ] [ 0.26483 0.5 0.54817 ] [ 0.263448 0.5 0.913332 ] [ 0.545648 0.236256 0.702228 ] [ 0.545648 0.763744 0.702228 ] [ 0.454352 0.236256 0.297772 ] [ 0.454352 0.763744 0.297772 ] [ 0.736552 0.5 0.086668 ] [ 0.73517 0.5 0.45183 ] ] } "species" { "source-value" [ "Li" "Li" "P" "P" "P" "P" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.12164784 "source-unit" "angstrom" } "b" { "source-value" 5.36839226 "source-unit" "angstrom" } "c" { "source-value" 7.03914447 "source-unit" "angstrom" } "beta" { "source-value" 94.85735161 "source-unit" "degree" } }