{ "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 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.526048 0 0.766149 ] [ 0.25 0.774795 0.005154 ] [ 0.973952 0 0.766149 ] [ 0.25 0.225205 0.005154 ] [ 0.75 0.774795 0.994846 ] [ 0.026048 0 0.233851 ] [ 0.75 0.225205 0.994846 ] [ 0.473952 0 0.233851 ] [ 0.026048 0.5 0.266149 ] [ 0.75 0.274795 0.505154 ] [ 0.473952 0.5 0.266149 ] [ 0.75 0.725205 0.505154 ] [ 0.25 0.274795 0.494846 ] [ 0.526048 0.5 0.733851 ] [ 0.25 0.725205 0.494846 ] [ 0.973952 0.5 0.733851 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "V" "V" "V" "V" "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" 5.92625858 "source-unit" "angstrom" } "b" { "source-value" 6.01808235 "source-unit" "angstrom" } "c" { "source-value" 8.45029737 "source-unit" "angstrom" } }