{ "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 0.220117 0.833602 ] [ 0.25 0.279883 0.333602 ] [ 0.25 0.779883 0.166398 ] [ 0.75 0.720117 0.666398 ] [ 0.25 0.85944 0.858447 ] [ 0.25 0.35944 0.641553 ] [ 0.75 0.101858 0.549306 ] [ 0.75 0.14056 0.141553 ] [ 0.75 0.64056 0.358447 ] [ 0.25 0.398142 0.049306 ] [ 0.75 0.601858 0.950694 ] [ 0.25 0.898142 0.450694 ] [ 0.25 0.589851 0.478942 ] [ 0.75 0.973984 0.33612 ] [ 0.75 0.473984 0.16388 ] [ 0.25 0.026016 0.66388 ] [ 0.25 0.526016 0.83612 ] [ 0.75 0.410149 0.521058 ] [ 0.25 0.089851 0.021058 ] [ 0.75 0.910149 0.978942 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "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" 4.84139579 "source-unit" "angstrom" } "b" { "source-value" 8.94258945 "source-unit" "angstrom" } "c" { "source-value" 12.60150415 "source-unit" "angstrom" } }