{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.007017 0.666164 0.250217 ] [ 0.507017 0.333836 0.249783 ] [ 0.007017 0.666164 0.749783 ] [ 0.507017 0.333836 0.750217 ] [ 0.50103 0.832817 0 ] [ 0.00103 0.167183 0.5 ] [ 0.003822 0.165294 0 ] [ 0.503822 0.834706 0.5 ] [ 0.145621 0.846648 0 ] [ 0.624738 0.135754 0 ] [ 0.105373 0.31825 0.262028 ] [ 0.605373 0.68175 0.237972 ] [ 0.124738 0.864246 0.5 ] [ 0.645621 0.153352 0.5 ] [ 0.605373 0.68175 0.762028 ] [ 0.105373 0.31825 0.737972 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Fe" "Fe" "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" 5.03221002 "source-unit" "angstrom" } "b" { "source-value" 5.55062797 "source-unit" "angstrom" } "c" { "source-value" 6.27552205 "source-unit" "angstrom" } }