{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.980348 0.937424 0.75 ] [ 0.480348 0.562576 0.25 ] [ 0.519652 0.437424 0.75 ] [ 0.019652 0.062576 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.62895 0.943779 0.25 ] [ 0.190085 0.80815 0.433968 ] [ 0.190085 0.80815 0.066032 ] [ 0.690085 0.69185 0.566032 ] [ 0.690085 0.69185 0.933968 ] [ 0.12895 0.556221 0.75 ] [ 0.87105 0.443779 0.25 ] [ 0.309915 0.30815 0.433968 ] [ 0.309915 0.30815 0.066032 ] [ 0.809915 0.19185 0.566032 ] [ 0.809915 0.19185 0.933968 ] [ 0.37105 0.056221 0.75 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Sc" "Sc" "Sc" "Sc" "O" "O" "O" "O" "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" 5.46844831 "source-unit" "angstrom" } "b" { "source-value" 5.76217965 "source-unit" "angstrom" } "c" { "source-value" 7.99589918 "source-unit" "angstrom" } }