{ "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" [ [ 0.018248 0.5 0.544007 ] [ 0.025611 0 0.502859 ] [ 0.518248 0 0.544007 ] [ 0.525611 0.5 0.502859 ] [ 0.661329 0 0.219752 ] [ 0.055516 0.5 0.902502 ] [ 0.942923 0.5 0.105646 ] [ 0.346017 0 0.791903 ] [ 0.161329 0.5 0.219752 ] [ 0.555516 0 0.902502 ] [ 0.442923 0 0.105646 ] [ 0.846017 0.5 0.791903 ] [ 0.851295 0 0.477445 ] [ 0.86917 0.5 0.219364 ] [ 0.134202 0.5 0.788845 ] [ 0.15559 0 0.518477 ] [ 0.351295 0.5 0.477445 ] [ 0.36917 0 0.219364 ] [ 0.634202 0 0.788845 ] [ 0.65559 0.5 0.518477 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "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" 8.7588461 "source-unit" "angstrom" } "b" { "source-value" 5.58736807 "source-unit" "angstrom" } "c" { "source-value" 6.19088244 "source-unit" "angstrom" } "beta" { "source-value" 134.99206948 "source-unit" "degree" } }