{ "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 0.600523 0.819147 ] [ 0.75 0.899477 0.319147 ] [ 0.25 0.100523 0.680853 ] [ 0.75 0.399477 0.180853 ] [ 0.75 0.364377 0.569615 ] [ 0.25 0.635623 0.430385 ] [ 0.75 0.864377 0.930385 ] [ 0.25 0.135623 0.069615 ] [ 0.75 0.826619 0.630666 ] [ 0.75 0.326619 0.869334 ] [ 0.25 0.673381 0.130666 ] [ 0.25 0.173381 0.369334 ] [ 0.25 0.257447 0.248166 ] [ 0.25 0.757447 0.251834 ] [ 0.75 0.742553 0.751834 ] [ 0.75 0.470492 0.856192 ] [ 0.25 0.029508 0.356192 ] [ 0.75 0.242553 0.748166 ] [ 0.75 0.970492 0.643808 ] [ 0.25 0.529508 0.143808 ] [ 0.25 0.237949 0.502108 ] [ 0.75 0.762051 0.497892 ] [ 0.25 0.737949 0.997892 ] [ 0.75 0.262051 0.002108 ] [ 0.25 0.507183 0.60965 ] [ 0.25 0.007183 0.89035 ] [ 0.75 0.992817 0.10965 ] [ 0.75 0.492817 0.39035 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.13881071 "source-unit" "angstrom" } "b" { "source-value" 9.44119305 "source-unit" "angstrom" } "c" { "source-value" 9.50429535 "source-unit" "angstrom" } }