{ "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" [ [ 0.75 0.472578 0.175565 ] [ 0.25 0.027422 0.675565 ] [ 0.75 0.972578 0.324435 ] [ 0.25 0.527422 0.824435 ] [ 0.25 0.641346 0.441168 ] [ 0.25 0.141346 0.058832 ] [ 0.75 0.358654 0.558832 ] [ 0.75 0.858654 0.941168 ] [ 0.25 0.779 0.128212 ] [ 0.25 0.279 0.371788 ] [ 0.75 0.721 0.628212 ] [ 0.75 0.221 0.871788 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Al" "Al" "Al" "Al" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.48866244 "source-unit" "angstrom" } "b" { "source-value" 7.17360427 "source-unit" "angstrom" } "c" { "source-value" 7.92197494 "source-unit" "angstrom" } }