{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.335978 ] [ 0.5 0.5 0.835978 ] [ 0 0 0.664022 ] [ 0.5 0.5 0.164022 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.30776 0.69224 0.659672 ] [ 0.19224 0.19224 0.840328 ] [ 0.707421 0.292579 0 ] [ 0.792579 0.792579 0.5 ] [ 0.292579 0.707421 0 ] [ 0.207421 0.207421 0.5 ] [ 0.19224 0.19224 0.159672 ] [ 0.30776 0.69224 0.340328 ] [ 0.80776 0.80776 0.840328 ] [ 0.69224 0.30776 0.659672 ] [ 0.80776 0.80776 0.159672 ] [ 0.69224 0.30776 0.340328 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Pd" "Pd" "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" 4.72665073161 "source-unit" "angstrom" } "c" { "source-value" 9.22987450254 "source-unit" "angstrom" } }