{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.749296 0.490166 0.166676 ] [ 0.249296 0.990166 0.333324 ] [ 0.749296 0.009834 0.666676 ] [ 0.249296 0.509834 0.833324 ] [ 0.256116 0.228791 0.087082 ] [ 0.756116 0.728791 0.412918 ] [ 0.256116 0.271209 0.587082 ] [ 0.756116 0.771209 0.912918 ] [ 0.749958 0.99448 0.169657 ] [ 0.249958 0.49448 0.330343 ] [ 0.749958 0.50552 0.669657 ] [ 0.249958 0.00552 0.830343 ] [ 0.810313 0.795181 0.087976 ] [ 0.86913 0.201507 0.115941 ] [ 0.363934 0.454357 0.199052 ] [ 0.455401 0.018287 0.180961 ] [ 0.955401 0.518287 0.319039 ] [ 0.863934 0.954357 0.300948 ] [ 0.36913 0.701507 0.384059 ] [ 0.310313 0.295181 0.412024 ] [ 0.810313 0.704819 0.587976 ] [ 0.86913 0.298493 0.615941 ] [ 0.363934 0.045643 0.699052 ] [ 0.455401 0.481713 0.680961 ] [ 0.955401 0.981713 0.819039 ] [ 0.863934 0.545643 0.800948 ] [ 0.36913 0.798493 0.884059 ] [ 0.310313 0.204819 0.912024 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.19733185 "source-unit" "angstrom" } "b" { "source-value" 6.22966494 "source-unit" "angstrom" } "c" { "source-value" 10.83288829 "source-unit" "angstrom" } }