{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.523264 0.196139 ] [ 0.25 0.741034 0.938442 ] [ 0.75 0.258966 0.061558 ] [ 0.75 0.241034 0.561558 ] [ 0.25 0.758966 0.438442 ] [ 0.25 0.976736 0.696139 ] [ 0.75 0.023264 0.303861 ] [ 0.75 0.476736 0.803861 ] [ 0.25 0.442036 0.439921 ] [ 0.75 0.557964 0.560079 ] [ 0.75 0.942036 0.060079 ] [ 0.25 0.057964 0.939921 ] [ 0.25 0.679962 0.690103 ] [ 0.75 0.320038 0.309897 ] [ 0.75 0.179962 0.809897 ] [ 0.25 0.820038 0.190103 ] [ 0.75 0.952217 0.867733 ] [ 0.25 0.452217 0.632267 ] [ 0.75 0.547783 0.367733 ] [ 0.25 0.0279 0.46677 ] [ 0.25 0.047783 0.132267 ] [ 0.25 0.274191 0.722909 ] [ 0.75 0.725809 0.277091 ] [ 0.75 0.774191 0.777091 ] [ 0.25 0.21168 0.393326 ] [ 0.75 0.9721 0.53323 ] [ 0.75 0.5279 0.03323 ] [ 0.25 0.4721 0.96677 ] [ 0.25 0.28832 0.893326 ] [ 0.75 0.78832 0.606674 ] [ 0.75 0.71168 0.106674 ] [ 0.25 0.225809 0.222909 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.43817126 "source-unit" "angstrom" } "b" { "source-value" 11.4495998 "source-unit" "angstrom" } "c" { "source-value" 14.41327771 "source-unit" "angstrom" } }