{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/ncc" } "basis-atom-coordinates" { "source-value" [ [ 0.206503 0.206503 0.25 ] [ 0.793497 0.206503 0.75 ] [ 0.293497 0.293497 0.75 ] [ 0.706503 0.293497 0.25 ] [ 0.293497 0.706503 0.25 ] [ 0.706503 0.706503 0.75 ] [ 0.206503 0.793497 0.75 ] [ 0.793497 0.793497 0.25 ] [ 0.5 0 0.03972 ] [ 0.5 0 0.53972 ] [ 0 0.5 0.46028 ] [ 0 0.5 0.96028 ] [ 0.274258 0.082429 0.549181 ] [ 0.725742 0.082429 0.049181 ] [ 0.417571 0.225742 0.049181 ] [ 0.582429 0.225742 0.549181 ] [ 0.082429 0.274258 0.950819 ] [ 0.917571 0.274258 0.450819 ] [ 0.225742 0.417571 0.450819 ] [ 0.774258 0.417571 0.950819 ] [ 0.225742 0.582429 0.950819 ] [ 0.774258 0.582429 0.450819 ] [ 0.917571 0.725742 0.950819 ] [ 0.082429 0.725742 0.450819 ] [ 0.417571 0.774258 0.549181 ] [ 0.582429 0.774258 0.049181 ] [ 0.274258 0.917571 0.049181 ] [ 0.725742 0.917571 0.549181 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.87343023 "source-unit" "angstrom" } "c" { "source-value" 5.43454631 "source-unit" "angstrom" } }