{ "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" [ [ 0.829343 0.829343 0.865884 ] [ 0.170657 0.829343 0.134116 ] [ 0.829343 0.170657 0.134116 ] [ 0.170657 0.170657 0.865884 ] [ 0.329343 0.329343 0.365884 ] [ 0.670657 0.329343 0.634116 ] [ 0.329343 0.670657 0.634116 ] [ 0.670657 0.670657 0.365884 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.124535 0.875465 0.691265 ] [ 0.124535 0.124535 0.308735 ] [ 0.875465 0.875465 0.308735 ] [ 0.875465 0.124535 0.691265 ] [ 0.624535 0.375465 0.191265 ] [ 0.624535 0.624535 0.808735 ] [ 0.375465 0.375465 0.808735 ] [ 0.375465 0.624535 0.191265 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "C" "C" "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" 6.49439957092 "source-unit" "angstrom" } "c" { "source-value" 4.36996178041 "source-unit" "angstrom" } }