{ "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 0.263404 0.484531 ] [ 0 0.736596 0.984531 ] [ 0.5 0.209115 0.968218 ] [ 0 0.790885 0.468218 ] [ 0 0.514406 0.628565 ] [ 0.5 0.485594 0.128565 ] [ 0.5 0.012543 0.841585 ] [ 0 0.987457 0.341585 ] ] } "species" { "source-value" [ "Cr" "Cr" "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" 3.04076442 "source-unit" "angstrom" } "b" { "source-value" 4.36961474 "source-unit" "angstrom" } "c" { "source-value" 4.94854274 "source-unit" "angstrom" } }