{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.494391 0.386857 0.634129 ] [ 0.994391 0.113143 0.134129 ] [ 0.994391 0.613143 0.365871 ] [ 0.494391 0.886857 0.865871 ] [ 0.962477 0.379426 0.898821 ] [ 0.462477 0.620574 0.101179 ] [ 0.962477 0.879426 0.601179 ] [ 0.462477 0.120574 0.398821 ] [ 0.458946 0.82638 0.060842 ] [ 0.958946 0.67362 0.560842 ] [ 0.469187 0.92382 0.354738 ] [ 0.969187 0.57618 0.854738 ] [ 0.469187 0.42382 0.145262 ] [ 0.458946 0.32638 0.439158 ] [ 0.958946 0.17362 0.939158 ] [ 0.969187 0.07618 0.645262 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.90475188 "source-unit" "angstrom" } "b" { "source-value" 5.60095423 "source-unit" "angstrom" } "c" { "source-value" 12.10643894 "source-unit" "angstrom" } }