{ "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" [ [ 0.25 0.497684 0.684813 ] [ 0.25 0.002316 0.184813 ] [ 0.75 0.502316 0.315187 ] [ 0.75 0.997684 0.815187 ] [ 0.25 0.441351 0.460409 ] [ 0.25 0.058649 0.960409 ] [ 0.75 0.558649 0.539591 ] [ 0.75 0.941351 0.039591 ] [ 0.25 0.30256 0.260793 ] [ 0.25 0.19744 0.760793 ] [ 0.75 0.69744 0.739207 ] [ 0.75 0.80256 0.239207 ] [ 0.25 0.575714 0.412319 ] [ 0.25 0.924286 0.912319 ] [ 0.75 0.424286 0.587681 ] [ 0.75 0.075714 0.087681 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "H" "H" "H" "H" "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" 2.98130342 "source-unit" "angstrom" } "b" { "source-value" 5.20294995 "source-unit" "angstrom" } "c" { "source-value" 14.23255981 "source-unit" "angstrom" } }