{ "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" [ [ 0.5 0.221997 0.50188 ] [ 0 0.778003 0.00188 ] [ 0.5 0.308808 0.018899 ] [ 0 0.691192 0.518899 ] [ 0 0.502394 0.641362 ] [ 0.5 0.497606 0.141362 ] [ 0 0.991136 0.351159 ] [ 0.5 0.008864 0.851159 ] ] } "species" { "source-value" [ "Ga" "Ga" "H" "H" "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" 3.00395142 "source-unit" "angstrom" } "b" { "source-value" 4.39104437 "source-unit" "angstrom" } "c" { "source-value" 4.98845581 "source-unit" "angstrom" } }