{ "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" [ [ 0.75 0.524226 0.172178 ] [ 0.25 0.975774 0.672178 ] [ 0.75 0.024226 0.327822 ] [ 0.25 0.475774 0.827822 ] [ 0.25 0.232601 0.123981 ] [ 0.25 0.732601 0.376019 ] [ 0.75 0.767399 0.876019 ] [ 0.75 0.267399 0.623981 ] [ 0.25 0.854614 0.064896 ] [ 0.25 0.354614 0.435104 ] [ 0.75 0.645386 0.564896 ] [ 0.75 0.145386 0.935104 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Si" "Si" "Si" "Si" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.81427912 "source-unit" "angstrom" } "b" { "source-value" 6.43128148 "source-unit" "angstrom" } "c" { "source-value" 7.32752116 "source-unit" "angstrom" } }