{ "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 0.756504 0.914174 ] [ 0.75 0.243496 0.085826 ] [ 0.25 0.256504 0.585826 ] [ 0.75 0.743496 0.414174 ] [ 0.25 0.920611 0.259477 ] [ 0.75 0.079389 0.740523 ] [ 0.25 0.420611 0.240523 ] [ 0.75 0.579389 0.759477 ] [ 0.75 0.590518 0.926542 ] [ 0.25 0.409482 0.073458 ] [ 0.75 0.090518 0.573458 ] [ 0.25 0.909482 0.426542 ] [ 0.516591 0.585106 0.67438 ] [ 0.016591 0.414894 0.32562 ] [ 0.983409 0.085106 0.82562 ] [ 0.483409 0.914894 0.17438 ] [ 0.483409 0.414894 0.32562 ] [ 0.983409 0.585106 0.67438 ] [ 0.016591 0.914894 0.17438 ] [ 0.516591 0.085106 0.82562 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "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" 5.11207195 "source-unit" "angstrom" } "b" { "source-value" 5.82640857 "source-unit" "angstrom" } "c" { "source-value" 8.23081217 "source-unit" "angstrom" } }