{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.077117 0.101547 ] [ 0.75 0.422883 0.601547 ] [ 0.25 0.577117 0.398453 ] [ 0.25 0.922883 0.898453 ] [ 0.25 0.399687 0.074436 ] [ 0.75 0.618323 0.208042 ] [ 0.75 0.881677 0.708042 ] [ 0.25 0.118323 0.291958 ] [ 0.75 0.600313 0.925564 ] [ 0.75 0.899687 0.425564 ] [ 0.25 0.100313 0.574436 ] [ 0.25 0.381677 0.791958 ] [ 0.25 0.808427 0.149876 ] [ 0.75 0.191573 0.850124 ] [ 0.75 0.308427 0.350124 ] [ 0.25 0.691573 0.649876 ] [ 0.25 0.42493 0.600313 ] [ 0.75 0.57507 0.399687 ] [ 0.75 0.92493 0.899687 ] [ 0.25 0.07507 0.100313 ] [ 0.000422 0.858017 0.275329 ] [ 0.500422 0.141983 0.724671 ] [ 0.999578 0.358017 0.224671 ] [ 0.499578 0.641983 0.775329 ] [ 0.999578 0.141983 0.724671 ] [ 0.499578 0.858017 0.275329 ] [ 0.000422 0.641983 0.775329 ] [ 0.500422 0.358017 0.224671 ] [ 0.49842 0.662944 0.066148 ] [ 0.99842 0.337056 0.933852 ] [ 0.50158 0.162944 0.433852 ] [ 0.00158 0.837056 0.566148 ] [ 0.99842 0.162944 0.433852 ] [ 0.49842 0.837056 0.566148 ] [ 0.00158 0.662944 0.066148 ] [ 0.50158 0.337056 0.933852 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Zn" "Zn" "Zn" "Zn" "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" 5.76047013 "source-unit" "angstrom" } "b" { "source-value" 7.14998842 "source-unit" "angstrom" } "c" { "source-value" 12.44543829 "source-unit" "angstrom" } }