{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.25 ] [ 0.75 0.776672 0 ] [ 0 0 0.771229 ] [ 0.5 0 0.771229 ] [ 0.75 0.723328 0.5 ] [ 0.25 0.779361 0 ] [ 0.5 0.5 0.728771 ] [ 0 0.5 0.728771 ] [ 0.25 0.720639 0.5 ] [ 0.25 0.276672 0.5 ] [ 0.5 0.5 0.271229 ] [ 0 0.5 0.271229 ] [ 0.25 0.223328 0 ] [ 0.75 0.279361 0.5 ] [ 0 0 0.228771 ] [ 0.5 0 0.228771 ] [ 0.75 0.220639 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 5.67624869 "source-unit" "angstrom" } "b" { "source-value" 5.75017681 "source-unit" "angstrom" } "c" { "source-value" 8.29876406 "source-unit" "angstrom" } }