{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.464 0.604 0.092 ] [ 0.964 0.396 0.408 ] [ 0.536 0.896 0.592 ] [ 0.036 0.104 0.908 ] [ 0.429 0.617 0.835 ] [ 0.929 0.383 0.665 ] [ 0.571 0.883 0.335 ] [ 0.071 0.117 0.165 ] [ 0.222 0.359 0.237 ] [ 0.722 0.641 0.263 ] [ 0.778 0.141 0.737 ] [ 0.278 0.859 0.763 ] [ 0.582 0.837 0.922 ] [ 0.082 0.163 0.578 ] [ 0.418 0.663 0.422 ] [ 0.918 0.337 0.078 ] [ 0.555 0.36 0.907 ] [ 0.055 0.64 0.593 ] [ 0.445 0.14 0.407 ] [ 0.945 0.86 0.093 ] [ 0.126 0.614 0.921 ] [ 0.626 0.386 0.579 ] [ 0.874 0.886 0.421 ] [ 0.374 0.114 0.079 ] [ 0.732 0.616 0.746 ] [ 0.232 0.384 0.754 ] [ 0.268 0.884 0.246 ] [ 0.768 0.116 0.254 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.508 "source-unit" "angstrom" } "b" { "source-value" 5.2 "source-unit" "angstrom" } "c" { "source-value" 12.679 "source-unit" "angstrom" } }