{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.362116 ] [ 0 0.75 0.637884 ] [ 0.5 0.75 0.362116 ] [ 0.5 0.25 0.637884 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0 0.75 0.283797 ] [ 0 0.25 0.716203 ] [ 0.5 0.25 0.283797 ] [ 0.5 0.75 0.716203 ] [ 0.217237 0.75 0.210372 ] [ 0 0.75 0.426633 ] [ 0.782763 0.75 0.210372 ] [ 0.782763 0.25 0.789628 ] [ 0 0.25 0.573367 ] [ 0.217237 0.25 0.789628 ] [ 0.717237 0.25 0.210372 ] [ 0.5 0.25 0.426633 ] [ 0.282763 0.25 0.210372 ] [ 0.282763 0.75 0.789628 ] [ 0.5 0.75 0.573367 ] [ 0.717237 0.75 0.789628 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "O" "O" "O" "O" "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" 5.30270722 "source-unit" "angstrom" } "b" { "source-value" 6.25337109 "source-unit" "angstrom" } "c" { "source-value" 8.798207 "source-unit" "angstrom" } }