{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.987222 0.984733 0.25 ] [ 0.512778 0.484733 0.75 ] [ 0.487222 0.515267 0.25 ] [ 0.012778 0.015267 0.75 ] [ 0.877812 0.371225 0.75 ] [ 0.830828 0.842829 0.574929 ] [ 0.830828 0.842829 0.925071 ] [ 0.669172 0.342829 0.074929 ] [ 0.669172 0.342829 0.425071 ] [ 0.622188 0.871225 0.25 ] [ 0.377812 0.128775 0.75 ] [ 0.330828 0.657171 0.574929 ] [ 0.330828 0.657171 0.925071 ] [ 0.169172 0.157171 0.074929 ] [ 0.169172 0.157171 0.425071 ] [ 0.122188 0.628775 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Ga" "Ga" "Ga" "Ga" "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" 5.13569294 "source-unit" "angstrom" } "b" { "source-value" 5.14516745 "source-unit" "angstrom" } "c" { "source-value" 7.87867448 "source-unit" "angstrom" } }