{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.131764 ] [ 0 0.75 0.368236 ] [ 0 0.25 0.631764 ] [ 0.5 0.25 0.868236 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.272811 0.25 0.494741 ] [ 0.5 0.470836 0.263681 ] [ 0.5 0.029164 0.263681 ] [ 0.727189 0.25 0.494741 ] [ 0.772811 0.25 0.005259 ] [ 0 0.029164 0.236319 ] [ 0 0.470836 0.236319 ] [ 0.227189 0.25 0.005259 ] [ 0.772811 0.75 0.994741 ] [ 0 0.970836 0.763681 ] [ 0 0.529164 0.763681 ] [ 0.227189 0.75 0.994741 ] [ 0.272811 0.75 0.505259 ] [ 0.5 0.529164 0.736319 ] [ 0.5 0.970836 0.736319 ] [ 0.727189 0.75 0.505259 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 5.66303289 "source-unit" "angstrom" } "b" { "source-value" 5.74382851 "source-unit" "angstrom" } "c" { "source-value" 8.7296139 "source-unit" "angstrom" } }