{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.188654 ] [ 0.5 0 0.311346 ] [ 0 0.5 0.811346 ] [ 0.5 0 0.688654 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.034159 0.241373 0.5 ] [ 0.465841 0.741373 0 ] [ 0.965841 0.758627 0.5 ] [ 0.534159 0.258627 0 ] [ 0.321333 0.783264 0.870152 ] [ 0.821333 0.716736 0.629848 ] [ 0.321333 0.783264 0.129848 ] [ 0.678667 0.216736 0.129848 ] [ 0.821333 0.716736 0.370152 ] [ 0.178667 0.283264 0.370152 ] [ 0.741045 0.679518 0 ] [ 0.241045 0.820482 0.5 ] [ 0.758955 0.179518 0.5 ] [ 0.258955 0.320482 0 ] [ 0.678667 0.216736 0.870152 ] [ 0.178667 0.283264 0.629848 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.84219383 "source-unit" "angstrom" } "b" { "source-value" 6.09889967 "source-unit" "angstrom" } "c" { "source-value" 9.17602745 "source-unit" "angstrom" } }