{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.048297 0.956413 0.75 ] [ 0.451703 0.456413 0.75 ] [ 0.548297 0.543587 0.25 ] [ 0.951703 0.043587 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.193678 0.359836 0.25 ] [ 0.214019 0.221213 0.604262 ] [ 0.214019 0.221213 0.895738 ] [ 0.285981 0.721213 0.604262 ] [ 0.285981 0.721213 0.895738 ] [ 0.306322 0.859836 0.25 ] [ 0.693678 0.140164 0.75 ] [ 0.714019 0.278787 0.104262 ] [ 0.714019 0.278787 0.395738 ] [ 0.785981 0.778787 0.104262 ] [ 0.785981 0.778787 0.395738 ] [ 0.806322 0.640164 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Cr" "Cr" "Cr" "Cr" "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" 4.90680388 "source-unit" "angstrom" } "b" { "source-value" 5.32920548 "source-unit" "angstrom" } "c" { "source-value" 9.36186262 "source-unit" "angstrom" } }