{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.990302 0.75 ] [ 0 0.009698 0.25 ] [ 0 0.497246 0.75 ] [ 0 0.502754 0.25 ] [ 0.5 0.490302 0.75 ] [ 0.5 0.509698 0.25 ] [ 0.5 0.997246 0.75 ] [ 0.5 0.002754 0.25 ] [ 0.75 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.21301 0.755649 0.75 ] [ 0.78699 0.244351 0.25 ] [ 0.21301 0.244351 0.25 ] [ 0.78699 0.755649 0.75 ] [ 0 0.212014 0.536196 ] [ 0 0.787986 0.036196 ] [ 0 0.787986 0.463804 ] [ 0 0.212014 0.963804 ] [ 0.28944 0 0 ] [ 0.71056 0 0.5 ] [ 0.71056 0 0 ] [ 0.28944 0 0.5 ] [ 0.71301 0.255649 0.75 ] [ 0.28699 0.744351 0.25 ] [ 0.71301 0.744351 0.25 ] [ 0.28699 0.255649 0.75 ] [ 0.5 0.712014 0.536196 ] [ 0.5 0.287986 0.036196 ] [ 0.5 0.287986 0.463804 ] [ 0.5 0.712014 0.963804 ] [ 0.78944 0.5 0 ] [ 0.21056 0.5 0.5 ] [ 0.21056 0.5 0 ] [ 0.78944 0.5 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "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" 7.8235223318 "source-unit" "angstrom" } "b" { "source-value" 7.89412096493 "source-unit" "angstrom" } "c" { "source-value" 7.90282562 "source-unit" "angstrom" } }