{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.739567 0.5 0.248077 ] [ 0.260433 0 0.748077 ] [ 0.22006 0.5 0.502647 ] [ 0.77994 0 0.002647 ] [ 0.400129 0.5 0.998134 ] [ 0.599871 0 0.498134 ] [ 0.272431 0.266407 0.988289 ] [ 0.727569 0.233593 0.488289 ] [ 0.780218 0 0.170425 ] [ 0.219782 0.5 0.670425 ] [ 0.228339 0.5 0.334082 ] [ 0.305244 0 0.519851 ] [ 0.727569 0.766407 0.488289 ] [ 0.694756 0.5 0.019851 ] [ 0.771661 0 0.834082 ] [ 0.272431 0.733593 0.988289 ] ] } "species" { "source-value" [ "Na" "Na" "Np" "Np" "C" "C" "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" 4.39335044006 "source-unit" "angstrom" } "b" { "source-value" 4.92678450001 "source-unit" "angstrom" } "c" { "source-value" 11.0361890752 "source-unit" "angstrom" } }