{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.204306 0.5 0.33368 ] [ 0.841125 0.5 0.020829 ] [ 0.158875 0.5 0.979171 ] [ 0.795694 0.5 0.66632 ] [ 0.5 0.5 0 ] [ 0.704306 0 0.33368 ] [ 0.341125 0 0.020829 ] [ 0.658875 0 0.979171 ] [ 0.295694 0 0.66632 ] [ 0.761267 0 0.84309 ] [ 0.075364 0.5 0.15267 ] [ 0.924636 0.5 0.84733 ] [ 0.08654 0 0.830131 ] [ 0.91346 0 0.169869 ] [ 0.171634 0 0.488456 ] [ 0.828366 0 0.511544 ] [ 0.238733 0 0.15691 ] [ 0.261267 0.5 0.84309 ] [ 0.575364 0 0.15267 ] [ 0.424636 0 0.84733 ] [ 0.58654 0.5 0.830131 ] [ 0.41346 0.5 0.169869 ] [ 0.671634 0.5 0.488456 ] [ 0.328366 0.5 0.511544 ] [ 0.738733 0.5 0.15691 ] ] } "species" { "source-value" [ "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.052055781 "source-unit" "angstrom" } "b" { "source-value" 3.70307846746 "source-unit" "angstrom" } "c" { "source-value" 9.1559586071 "source-unit" "angstrom" } "beta" { "source-value" 105.006026938 "source-unit" "degree" } }