{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.713628 0.286372 0.889138 ] [ 0.286372 0.713628 0.889138 ] [ 0.713628 0.713628 0.110862 ] [ 0.286372 0.286372 0.110862 ] [ 0.213628 0.786372 0.389138 ] [ 0.786372 0.213628 0.389138 ] [ 0.213628 0.213628 0.610862 ] [ 0.786372 0.786372 0.610862 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Si" "Si" "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" 4.46885582 "source-unit" "angstrom" } "c" { "source-value" 8.66617634 "source-unit" "angstrom" } }