{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.139932 0.559262 ] [ 0 0.139932 0.940738 ] [ 0 0.860068 0.059262 ] [ 0 0.860068 0.440738 ] [ 0.5 0.639932 0.559262 ] [ 0.5 0.639932 0.940738 ] [ 0.5 0.360068 0.059262 ] [ 0.5 0.360068 0.440738 ] [ 0 0.183678 0.25 ] [ 0 0.816322 0.75 ] [ 0.5 0.683678 0.25 ] [ 0.5 0.316322 0.75 ] [ 0 0.046849 0.115221 ] [ 0.5 0.812245 0.428326 ] [ 0 0.046849 0.384779 ] [ 0.5 0.812245 0.071674 ] [ 0 0.239544 0.75 ] [ 0 0.760456 0.25 ] [ 0.5 0.187755 0.928326 ] [ 0.5 0.187755 0.571674 ] [ 0 0.953151 0.615221 ] [ 0 0.953151 0.884779 ] [ 0.5 0.546849 0.115221 ] [ 0 0.312245 0.428326 ] [ 0.5 0.546849 0.384779 ] [ 0 0.312245 0.071674 ] [ 0.5 0.739544 0.75 ] [ 0.5 0.260456 0.25 ] [ 0 0.687755 0.928326 ] [ 0 0.687755 0.571674 ] [ 0.5 0.453151 0.615221 ] [ 0.5 0.453151 0.884779 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.60173296 "source-unit" "angstrom" } "b" { "source-value" 9.45167262 "source-unit" "angstrom" } "c" { "source-value" 9.5965426 "source-unit" "angstrom" } }