{ "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" [ [ 0.739581 0.895216 0.298815 ] [ 0.732966 0.268703 0.474878 ] [ 0.232966 0.231297 0.974878 ] [ 0.267034 0.731297 0.525122 ] [ 0.260419 0.104784 0.701185 ] [ 0.239581 0.604784 0.798815 ] [ 0.760419 0.395216 0.201185 ] [ 0.767034 0.768703 0.025122 ] [ 0.241561 0.383679 0.585975 ] [ 0.258439 0.883679 0.914025 ] [ 0.758439 0.616321 0.414025 ] [ 0.741561 0.116321 0.085975 ] [ 0.727928 0.463969 0.90655 ] [ 0.772072 0.963969 0.59345 ] [ 0.272072 0.536031 0.09345 ] [ 0.227928 0.036031 0.40655 ] [ 0.79137 0.295094 0.799078 ] [ 0.29137 0.204906 0.299078 ] [ 0.20863 0.704906 0.200922 ] [ 0.70863 0.795094 0.700922 ] [ 0.255133 0.517656 0.345326 ] [ 0.244867 0.017656 0.154674 ] [ 0.744867 0.482344 0.654674 ] [ 0.755133 0.982344 0.845326 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.19155236068 "source-unit" "angstrom" } "b" { "source-value" 7.7705188 "source-unit" "angstrom" } "c" { "source-value" 16.219358453 "source-unit" "angstrom" } "beta" { "source-value" 90.4804482752 "source-unit" "degree" } }