{ "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 0.62249 0.644103 ] [ 0.75 0.37751 0.355897 ] [ 0.75 0.12249 0.855897 ] [ 0.25 0.87751 0.144103 ] [ 0.25 0.850442 0.923862 ] [ 0.75 0.149558 0.076138 ] [ 0.75 0.350442 0.576138 ] [ 0.25 0.649558 0.423862 ] [ 0.75 0.625013 0.761306 ] [ 0.25 0.374987 0.238694 ] [ 0.25 0.40397 0.914248 ] [ 0.75 0.59603 0.085752 ] [ 0.75 0.90397 0.585752 ] [ 0.25 0.09603 0.414248 ] [ 0.25 0.125013 0.738694 ] [ 0.75 0.874987 0.261306 ] [ 0.25 0.128102 0.994383 ] [ 0.75 0.379259 0.986426 ] [ 0.75 0.120741 0.486426 ] [ 0.25 0.620741 0.013574 ] [ 0.25 0.355595 0.115869 ] [ 0.75 0.644405 0.884131 ] [ 0.75 0.855595 0.384131 ] [ 0.25 0.144405 0.615869 ] [ 0.25 0.070538 0.293972 ] [ 0.75 0.929462 0.706028 ] [ 0.75 0.570538 0.206028 ] [ 0.25 0.429462 0.793972 ] [ 0.75 0.628102 0.505617 ] [ 0.25 0.371898 0.494383 ] [ 0.25 0.824261 0.800181 ] [ 0.75 0.175739 0.199819 ] [ 0.75 0.324261 0.699819 ] [ 0.25 0.675739 0.300181 ] [ 0.25 0.879259 0.513574 ] [ 0.75 0.871898 0.005617 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.1523942 "source-unit" "angstrom" } "b" { "source-value" 7.38680473 "source-unit" "angstrom" } "c" { "source-value" 20.42908019 "source-unit" "angstrom" } }