{ "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" [ [ 0.992095 0.25 0.651959 ] [ 0.007905 0.75 0.348041 ] [ 0.711336 0.25 0.100504 ] [ 0.288664 0.75 0.899496 ] [ 0.385107 0.409327 0.047672 ] [ 0.614893 0.909327 0.952328 ] [ 0.614893 0.590673 0.952328 ] [ 0.385107 0.090673 0.047672 ] [ 0.2928 0.47025 0.402921 ] [ 0.7072 0.97025 0.597079 ] [ 0.7072 0.52975 0.597079 ] [ 0.2928 0.02975 0.402921 ] ] } "species" { "source-value" [ "Nd" "Nd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.05461278 "source-unit" "angstrom" } "b" { "source-value" 9.59852969 "source-unit" "angstrom" } "c" { "source-value" 5.4698783 "source-unit" "angstrom" } "beta" { "source-value" 102.03899541 "source-unit" "degree" } }