{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.245155 0.25 0.75 ] [ 0.754845 0.25 0.25 ] [ 0.245155 0.75 0.75 ] [ 0.754845 0.75 0.25 ] [ 0.745155 0.75 0.75 ] [ 0.254845 0.75 0.25 ] [ 0.745155 0.25 0.75 ] [ 0.254845 0.25 0.25 ] [ 0 0.217035 0 ] [ 0 0.282965 0.5 ] [ 0.767553 0 0.217072 ] [ 0.732447 0 0.717072 ] [ 0.267553 0 0.282928 ] [ 0.232447 0 0.782928 ] [ 0 0.717035 0.5 ] [ 0 0.782965 0 ] [ 0.5 0.717035 0 ] [ 0.5 0.782965 0.5 ] [ 0.267553 0.5 0.217072 ] [ 0.232447 0.5 0.717072 ] [ 0.767553 0.5 0.282928 ] [ 0.732447 0.5 0.782928 ] [ 0.5 0.217035 0.5 ] [ 0.5 0.282965 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 6.8457139 "source-unit" "angstrom" } "b" { "source-value" 8.70920046 "source-unit" "angstrom" } "c" { "source-value" 6.84804024 "source-unit" "angstrom" } }