{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.935388 0.361073 0.25 ] [ 0.435388 0.138927 0.75 ] [ 0.564612 0.861073 0.25 ] [ 0.064612 0.638927 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.337451 0.839485 0.942364 ] [ 0.162549 0.339485 0.942364 ] [ 0.662549 0.160515 0.057636 ] [ 0.337451 0.839485 0.557636 ] [ 0.181597 0.065002 0.25 ] [ 0.681597 0.434998 0.75 ] [ 0.318403 0.565002 0.25 ] [ 0.818403 0.934998 0.75 ] [ 0.162549 0.339485 0.557636 ] [ 0.662549 0.160515 0.442364 ] [ 0.837451 0.660515 0.057636 ] [ 0.837451 0.660515 0.442364 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Pd" "Pd" "Pd" "Pd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43454899 "source-unit" "angstrom" } "b" { "source-value" 7.77923343 "source-unit" "angstrom" } "c" { "source-value" 8.82090711 "source-unit" "angstrom" } }