{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.681758 0.962727 0.25677 ] [ 0.318242 0.037273 0.74323 ] [ 0.824799 0.25 0.886165 ] [ 0.175201 0.75 0.113835 ] [ 0.681758 0.537273 0.25677 ] [ 0.318242 0.462727 0.74323 ] [ 0.769508 0.25 0.609396 ] [ 0.230492 0.75 0.390604 ] [ 0.84606 0.75 0.675604 ] [ 0.15394 0.25 0.324396 ] [ 0.659338 0.75 0.959744 ] [ 0.340662 0.25 0.040256 ] [ 0.183775 0.75 0.551621 ] [ 0.909568 0.75 0.965847 ] [ 0.47455 0.25 0.172029 ] [ 0.52545 0.75 0.827971 ] [ 0.093581 0.570062 0.302333 ] [ 0.090432 0.25 0.034153 ] [ 0.093581 0.929938 0.302333 ] [ 0.906419 0.429938 0.697667 ] [ 0.906419 0.070062 0.697667 ] [ 0.474289 0.25 0.626886 ] [ 0.53822 0.75 0.075426 ] [ 0.46178 0.25 0.924574 ] [ 0.525711 0.75 0.373114 ] [ 0.816225 0.25 0.448379 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "P" "P" "W" "W" "C" "C" "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" 5.11244260185 "source-unit" "angstrom" } "b" { "source-value" 6.67115855 "source-unit" "angstrom" } "c" { "source-value" 9.27897249064 "source-unit" "angstrom" } "beta" { "source-value" 95.9547274319 "source-unit" "degree" } }