{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.836127 0.289924 0.86386 ] [ 0.710076 0.836127 0.13614 ] [ 0.163873 0.710076 0.86386 ] [ 0.289924 0.163873 0.13614 ] [ 0.336127 0.789924 0.36386 ] [ 0.210076 0.336127 0.63614 ] [ 0.663873 0.210076 0.36386 ] [ 0.789924 0.663873 0.63614 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "B" "B" "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" 4.59019926 "source-unit" "angstrom" } "c" { "source-value" 7.38305814 "source-unit" "angstrom" } }