{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.86676 0.427761 ] [ 0.25 0.13324 0.572239 ] [ 0.75 0.36676 0.072239 ] [ 0.25 0.63324 0.927761 ] [ 0.25 0.623828 0.600198 ] [ 0.25 0.123828 0.899802 ] [ 0.75 0.876172 0.100198 ] [ 0.25 0.620494 0.242397 ] [ 0.75 0.379506 0.757603 ] [ 0.25 0.120494 0.257603 ] [ 0.75 0.879506 0.742397 ] [ 0.75 0.376172 0.399802 ] [ 0.75 0.385204 0.609731 ] [ 0.25 0.114796 0.109731 ] [ 0.75 0.885204 0.890269 ] [ 0.25 0.633556 0.093047 ] [ 0.75 0.366444 0.906953 ] [ 0.25 0.133556 0.406953 ] [ 0.25 0.614796 0.390269 ] [ 0.75 0.866444 0.593047 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.88433413 "source-unit" "angstrom" } "b" { "source-value" 5.73093843 "source-unit" "angstrom" } "c" { "source-value" 12.58707291 "source-unit" "angstrom" } }