{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.335479 0 0.409686 ] [ 0.32855 0 0.083405 ] [ 0.166552 0.5 0.924214 ] [ 0.838117 0.5 0.088252 ] [ 0.665497 0 0.610173 ] [ 0.666522 0 0.904425 ] [ 0.171391 0.5 0.607187 ] [ 0.830253 0.5 0.377056 ] [ 0.992946 0 0.005758 ] [ 0.003283 0 0.489114 ] [ 0.499934 0.5 0.019086 ] [ 0.501575 0.5 0.481642 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Tl" "Tl" "Tl" "Tl" "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" 6.14336691 "source-unit" "angstrom" } "b" { "source-value" 3.64919341 "source-unit" "angstrom" } "c" { "source-value" 12.80177825 "source-unit" "angstrom" } "beta" { "source-value" 90.05316931 "source-unit" "degree" } }