{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.023275 0.074393 0.741325 ] [ 0.476725 0.574393 0.758675 ] [ 0.976725 0.925607 0.258675 ] [ 0.523275 0.425607 0.241325 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.36163 0.066342 0.261787 ] [ 0.669171 0.694892 0.420789 ] [ 0.830829 0.194892 0.079211 ] [ 0.330829 0.305108 0.579211 ] [ 0.685644 0.678726 0.065099 ] [ 0.814356 0.178726 0.434901 ] [ 0.314356 0.321274 0.934901 ] [ 0.185644 0.821274 0.565099 ] [ 0.63837 0.933658 0.738213 ] [ 0.86163 0.433658 0.761787 ] [ 0.169171 0.805108 0.920789 ] [ 0.13837 0.566342 0.238213 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Y" "Y" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.93705148433 "source-unit" "angstrom" } "b" { "source-value" 7.32344783 "source-unit" "angstrom" } "c" { "source-value" 10.3094730157 "source-unit" "angstrom" } "beta" { "source-value" 90.6727530643 "source-unit" "degree" } }