{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.191002 0.062427 ] [ 0.5 0.808998 0.937573 ] [ 0.5 0.808998 0.562427 ] [ 0.5 0.191002 0.437573 ] [ 0 0.691002 0.062427 ] [ 0 0.308998 0.937573 ] [ 0 0.308998 0.562427 ] [ 0 0.691002 0.437573 ] [ 0 0.156498 0.75 ] [ 0 0.843502 0.25 ] [ 0 0.949564 0.75 ] [ 0 0.050436 0.25 ] [ 0.5 0.656498 0.75 ] [ 0.5 0.343502 0.25 ] [ 0.5 0.449564 0.75 ] [ 0.5 0.550436 0.25 ] [ 0 0.220376 0.25 ] [ 0 0.779624 0.75 ] [ 0.5 0.063085 0.564796 ] [ 0.5 0.936915 0.435204 ] [ 0.5 0.936915 0.064796 ] [ 0.5 0.063085 0.935204 ] [ 0.5 0.720376 0.25 ] [ 0.5 0.279624 0.75 ] [ 0 0.563085 0.564796 ] [ 0 0.436915 0.435204 ] [ 0 0.436915 0.064796 ] [ 0 0.563085 0.935204 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.44983248512 "source-unit" "angstrom" } "b" { "source-value" 18.6645258532 "source-unit" "angstrom" } "c" { "source-value" 6.88055812 "source-unit" "angstrom" } }