{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.756126 0.916134 ] [ 0.75 0.243874 0.083866 ] [ 0.25 0.256126 0.583866 ] [ 0.75 0.743874 0.416134 ] [ 0.25 0.917183 0.258219 ] [ 0.75 0.082817 0.741781 ] [ 0.25 0.417183 0.241781 ] [ 0.75 0.582817 0.758219 ] [ 0.468045 0.415984 0.318566 ] [ 0.968045 0.584016 0.681434 ] [ 0.031955 0.915984 0.181434 ] [ 0.531955 0.084016 0.818566 ] [ 0.75 0.591444 0.910627 ] [ 0.25 0.408556 0.089373 ] [ 0.75 0.091444 0.589373 ] [ 0.25 0.908556 0.410627 ] [ 0.531955 0.584016 0.681434 ] [ 0.031955 0.415984 0.318566 ] [ 0.968045 0.084016 0.818566 ] [ 0.468045 0.915984 0.181434 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "C" "C" "C" "C" "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" 5.16318577 "source-unit" "angstrom" } "b" { "source-value" 6.1369109 "source-unit" "angstrom" } "c" { "source-value" 8.51126874 "source-unit" "angstrom" } }