{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.234058 0.001446 0.216884 ] [ 0.234058 0.498554 0.216884 ] [ 0.765942 0.501446 0.783116 ] [ 0.765942 0.998554 0.783116 ] [ 0.778705 0.75 0.360987 ] [ 0.221295 0.25 0.639013 ] [ 0.708283 0.25 0.419939 ] [ 0.291717 0.75 0.580061 ] [ 0.732008 0.75 0.06967 ] [ 0.267992 0.25 0.93033 ] [ 0.296223 0.25 0.06762 ] [ 0.955091 0.75 0.135155 ] [ 0.536753 0.75 0.160283 ] [ 0.802137 0.065845 0.341456 ] [ 0.802137 0.434155 0.341456 ] [ 0.190007 0.75 0.417521 ] [ 0.41211 0.25 0.426534 ] [ 0.58789 0.75 0.573466 ] [ 0.809993 0.25 0.582479 ] [ 0.197863 0.565845 0.658544 ] [ 0.197863 0.934155 0.658544 ] [ 0.463247 0.25 0.839717 ] [ 0.044909 0.25 0.864845 ] [ 0.703777 0.75 0.93238 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Lu" "Lu" "P" "P" "C" "C" "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" 5.27465105 "source-unit" "angstrom" } "b" { "source-value" 6.90230459 "source-unit" "angstrom" } "c" { "source-value" 9.14869919 "source-unit" "angstrom" } "beta" { "source-value" 90.624909 "source-unit" "degree" } }