{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.13904 0.920415 ] [ 0 0.13904 0.579585 ] [ 0 0.86096 0.420415 ] [ 0 0.86096 0.079585 ] [ 0.5 0.63904 0.920415 ] [ 0.5 0.63904 0.579585 ] [ 0.5 0.36096 0.420415 ] [ 0.5 0.36096 0.079585 ] [ 0 0.190295 0.25 ] [ 0 0.809705 0.75 ] [ 0.5 0.690295 0.25 ] [ 0.5 0.309705 0.75 ] [ 0.5 0.815001 0.409916 ] [ 0.5 0.815001 0.090084 ] [ 0 0.056243 0.394298 ] [ 0 0.056243 0.105702 ] [ 0 0.218835 0.75 ] [ 0 0.781165 0.25 ] [ 0 0.943757 0.894298 ] [ 0 0.943757 0.605702 ] [ 0.5 0.184999 0.590084 ] [ 0.5 0.184999 0.909916 ] [ 0 0.315001 0.409916 ] [ 0 0.315001 0.090084 ] [ 0.5 0.556243 0.394298 ] [ 0.5 0.556243 0.105702 ] [ 0.5 0.718835 0.75 ] [ 0.5 0.281165 0.25 ] [ 0.5 0.443757 0.894298 ] [ 0.5 0.443757 0.605702 ] [ 0 0.684999 0.590084 ] [ 0 0.684999 0.909916 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "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" 4.47297194 "source-unit" "angstrom" } "b" { "source-value" 10.26490331 "source-unit" "angstrom" } "c" { "source-value" 9.76911529 "source-unit" "angstrom" } }