{ "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 0.097388 0.304702 ] [ 0.75 0.597388 0.195298 ] [ 0.25 0.402612 0.804702 ] [ 0.25 0.902612 0.695298 ] [ 0.75 0.1211 0.937059 ] [ 0.75 0.6211 0.562941 ] [ 0.25 0.3789 0.437059 ] [ 0.25 0.8789 0.062941 ] [ 0.75 0.163245 0.6275 ] [ 0.75 0.663245 0.8725 ] [ 0.25 0.336755 0.1275 ] [ 0.25 0.836755 0.3725 ] [ 0.75 0.236599 0.501842 ] [ 0.75 0.002314 0.112808 ] [ 0.75 0.23914 0.745613 ] [ 0.75 0.736599 0.998158 ] [ 0.75 0.502314 0.387192 ] [ 0.75 0.73914 0.754387 ] [ 0.75 0.029175 0.625744 ] [ 0.75 0.529175 0.874256 ] [ 0.25 0.470825 0.125744 ] [ 0.25 0.970825 0.374256 ] [ 0.25 0.26086 0.245613 ] [ 0.25 0.497686 0.612808 ] [ 0.25 0.263401 0.001842 ] [ 0.25 0.76086 0.254387 ] [ 0.25 0.997686 0.887192 ] [ 0.25 0.763401 0.498158 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "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" 3.09891611 "source-unit" "angstrom" } "b" { "source-value" 9.28889529 "source-unit" "angstrom" } "c" { "source-value" 9.31374971 "source-unit" "angstrom" } }