{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.883051 0.871335 ] [ 0.75 0.116949 0.128665 ] [ 0.25 0.383051 0.628665 ] [ 0.75 0.616949 0.371335 ] [ 0.25 0.619143 0.09998 ] [ 0.75 0.380857 0.90002 ] [ 0.25 0.119143 0.40002 ] [ 0.75 0.880857 0.59998 ] [ 0.75 0.673549 0.561986 ] [ 0.25 0.326451 0.438014 ] [ 0.75 0.173549 0.938014 ] [ 0.25 0.826451 0.061986 ] [ 0.75 0.079978 0.641111 ] [ 0.25 0.920022 0.358889 ] [ 0.75 0.579978 0.858889 ] [ 0.25 0.420022 0.141111 ] ] } "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" 3.92357466 "source-unit" "angstrom" } "b" { "source-value" 5.59424857 "source-unit" "angstrom" } "c" { "source-value" 12.40668392 "source-unit" "angstrom" } }