{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.642907 0.25 ] [ 0 0.357093 0.75 ] [ 0.5 0.142907 0.25 ] [ 0.5 0.857093 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.743588 0.965518 0.75 ] [ 0.256412 0.034482 0.25 ] [ 0.743588 0.034482 0.25 ] [ 0.256412 0.965518 0.75 ] [ 0 0.252068 0.938588 ] [ 0 0.747932 0.438588 ] [ 0 0.747932 0.061412 ] [ 0 0.252068 0.561412 ] [ 0.243588 0.465518 0.75 ] [ 0.756412 0.534482 0.25 ] [ 0.243588 0.534482 0.25 ] [ 0.756412 0.465518 0.75 ] [ 0.5 0.752068 0.938588 ] [ 0.5 0.247932 0.438588 ] [ 0.5 0.247932 0.061412 ] [ 0.5 0.752068 0.561412 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "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" 5.75113761134 "source-unit" "angstrom" } "b" { "source-value" 8.95016059549 "source-unit" "angstrom" } "c" { "source-value" 7.11341599 "source-unit" "angstrom" } }