{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.181216 0.251149 ] [ 0.5 0.818784 0.751149 ] [ 0 0.681216 0.251149 ] [ 0 0.318784 0.751149 ] [ 0 0.019924 0.438962 ] [ 0 0.980076 0.938962 ] [ 0.5 0.519924 0.438962 ] [ 0.5 0.480076 0.938962 ] [ 0.5 0.790032 0.251658 ] [ 0.5 0.209968 0.751658 ] [ 0 0.078217 0.246946 ] [ 0 0.921783 0.746946 ] [ 0 0.290032 0.251658 ] [ 0 0.709968 0.751658 ] [ 0.5 0.578217 0.246946 ] [ 0.5 0.421783 0.746946 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.89951224 "source-unit" "angstrom" } "b" { "source-value" 12.16636564 "source-unit" "angstrom" } "c" { "source-value" 3.73430179 "source-unit" "angstrom" } }