{ "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" [ [ 0.234148 0.5 0.793898 ] [ 0.765852 0.5 0.206102 ] [ 0.734148 0 0.793898 ] [ 0.265852 0 0.206102 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.862753 0 0.471055 ] [ 0.04477 0.5 0.198216 ] [ 0.95523 0.5 0.801784 ] [ 0.137247 0 0.528945 ] [ 0.362753 0.5 0.471055 ] [ 0.54477 0 0.198216 ] [ 0.45523 0 0.801784 ] [ 0.637247 0.5 0.528945 ] [ 0.166531 0 0.938988 ] [ 0.833469 0 0.061012 ] [ 0.666531 0.5 0.938988 ] [ 0.333469 0.5 0.061012 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "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" 11.6387820253 "source-unit" "angstrom" } "b" { "source-value" 3.73079366025 "source-unit" "angstrom" } "c" { "source-value" 7.98173411304 "source-unit" "angstrom" } "beta" { "source-value" 90.0865325171 "source-unit" "degree" } }