{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.003947 0.474426 0.10763 ] [ 0.003947 0.525574 0.89237 ] [ 0.503947 0.025574 0.10763 ] [ 0.503947 0.974426 0.89237 ] [ 0.503947 0.974426 0.60763 ] [ 0.503947 0.025574 0.39237 ] [ 0.003947 0.525574 0.60763 ] [ 0.003947 0.474426 0.39237 ] [ 0.99708 0 0 ] [ 0.49708 0.5 0 ] [ 0.545537 0.574842 0.25 ] [ 0.545537 0.425158 0.75 ] [ 0.49708 0.5 0.5 ] [ 0.99708 0 0.5 ] [ 0.045537 0.074842 0.75 ] [ 0.045537 0.925158 0.25 ] [ 0.748111 0.252435 0.989389 ] [ 0.748111 0.747565 0.010611 ] [ 0.248111 0.247565 0.989389 ] [ 0.248111 0.752435 0.010611 ] [ 0.881554 0.636961 0.25 ] [ 0.881554 0.363039 0.75 ] [ 0.481496 0.442516 0.141522 ] [ 0.481496 0.557484 0.858478 ] [ 0.981496 0.942516 0.858478 ] [ 0.981496 0.057484 0.141522 ] [ 0.248111 0.752435 0.489389 ] [ 0.248111 0.247565 0.510611 ] [ 0.748111 0.747565 0.489389 ] [ 0.748111 0.252435 0.510611 ] [ 0.381554 0.136961 0.75 ] [ 0.381554 0.863039 0.25 ] [ 0.981496 0.942516 0.641522 ] [ 0.981496 0.057484 0.358478 ] [ 0.481496 0.442516 0.358478 ] [ 0.481496 0.557484 0.641522 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 5.28545451841 "source-unit" "angstrom" } "b" { "source-value" 5.46463549455 "source-unit" "angstrom" } "c" { "source-value" 14.4922081288 "source-unit" "angstrom" } }