{ "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 0.661497 0.053269 ] [ 0.75 0.338503 0.946731 ] [ 0.25 0.161497 0.446731 ] [ 0.75 0.838503 0.553269 ] [ 0.25 0.971573 0.824419 ] [ 0.75 0.028427 0.175581 ] [ 0.25 0.471573 0.675581 ] [ 0.75 0.528427 0.324419 ] [ 0.75 0.979938 0.400873 ] [ 0.25 0.020062 0.599127 ] [ 0.75 0.479938 0.099127 ] [ 0.25 0.520062 0.900873 ] [ 0.75 0.325117 0.502581 ] [ 0.25 0.674883 0.497419 ] [ 0.75 0.825117 0.997419 ] [ 0.25 0.174883 0.002581 ] [ 0.75 0.726173 0.706569 ] [ 0.25 0.273827 0.293431 ] [ 0.75 0.226173 0.793431 ] [ 0.25 0.773827 0.206569 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "In" "In" "In" "In" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01046233 "source-unit" "angstrom" } "b" { "source-value" 9.64231245 "source-unit" "angstrom" } "c" { "source-value" 15.65899768 "source-unit" "angstrom" } }