{ "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 0.680526 0.395238 ] [ 0.25 0.180526 0.104762 ] [ 0.75 0.319474 0.604762 ] [ 0.75 0.819474 0.895238 ] [ 0.25 0.67349 0.94112 ] [ 0.75 0.82651 0.44112 ] [ 0.25 0.17349 0.55888 ] [ 0.75 0.32651 0.05888 ] [ 0.75 0.975909 0.312556 ] [ 0.25 0.524091 0.812556 ] [ 0.25 0.024091 0.687444 ] [ 0.75 0.475909 0.187444 ] [ 0.25 0.284957 0.467819 ] [ 0.75 0.715043 0.532181 ] [ 0.25 0.784957 0.032181 ] [ 0.75 0.215043 0.967819 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "C" "C" "C" "C" "S" "S" "S" "S" "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" 6.43957755 "source-unit" "angstrom" } "b" { "source-value" 8.12940671 "source-unit" "angstrom" } "c" { "source-value" 8.50980261 "source-unit" "angstrom" } }