{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.725343 0.177653 0.184745 ] [ 0.274657 0.822347 0.815255 ] [ 0.246844 0.69621 0.279466 ] [ 0.753156 0.30379 0.720534 ] [ 0.236755 0.315793 0.927325 ] [ 0.771473 0.776069 0.559794 ] [ 0.763245 0.684207 0.072675 ] [ 0.228527 0.223931 0.440206 ] [ 0.728026 0.569449 0.926894 ] [ 0.309182 0.397025 0.375989 ] [ 0.690818 0.602975 0.624011 ] [ 0.024846 0.748911 0.50523 ] [ 0.222339 0.056389 0.322025 ] [ 0.459123 0.195696 0.897977 ] [ 0.986863 0.812899 0.078551 ] [ 0.197747 0.437066 0.8063 ] [ 0.975154 0.251089 0.49477 ] [ 0.540877 0.804304 0.102023 ] [ 0.802253 0.562934 0.1937 ] [ 0.271974 0.430551 0.073106 ] [ 0.013137 0.187101 0.921449 ] [ 0.777661 0.943611 0.677975 ] [ 0.403096 0.191169 0.562063 ] [ 0.596904 0.808831 0.437937 ] ] } "species" { "source-value" [ "K" "K" "Nd" "Nd" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.43518121184 "source-unit" "angstrom" } "b" { "source-value" 7.02535236828 "source-unit" "angstrom" } "c" { "source-value" 9.18454502324 "source-unit" "angstrom" } "alpha" { "source-value" 97.606716391 "source-unit" "degree" } "beta" { "source-value" 92.4485475593 "source-unit" "degree" } "gamma" { "source-value" 90.9826327616 "source-unit" "degree" } }