{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.518648 0.180877 ] [ 0.25 0.018648 0.319123 ] [ 0.75 0.981352 0.680877 ] [ 0.75 0.481352 0.819123 ] [ 0.75 0.855202 0.064454 ] [ 0.75 0.355202 0.435546 ] [ 0.25 0.644798 0.564454 ] [ 0.25 0.144798 0.935546 ] [ 0.75 0.229856 0.114696 ] [ 0.75 0.729856 0.385304 ] [ 0.25 0.270144 0.614696 ] [ 0.25 0.770144 0.885304 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41597646 "source-unit" "angstrom" } "b" { "source-value" 7.44867565 "source-unit" "angstrom" } "c" { "source-value" 8.25450019 "source-unit" "angstrom" } }