{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.253413 0.630033 ] [ 0.75 0.746587 0.369967 ] [ 0.25 0.753413 0.869967 ] [ 0.75 0.246587 0.130033 ] [ 0.25 0.5318 0.16491 ] [ 0.75 0.4682 0.83509 ] [ 0.25 0.0318 0.33509 ] [ 0.75 0.9682 0.66491 ] [ 0.25 0.140435 0.931073 ] [ 0.75 0.859565 0.068927 ] [ 0.25 0.640435 0.568927 ] [ 0.75 0.359565 0.431073 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.14405322 "source-unit" "angstrom" } "b" { "source-value" 7.49801252 "source-unit" "angstrom" } "c" { "source-value" 9.07604665 "source-unit" "angstrom" } }