{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.007134 0.25 ] [ 0 0.619765 0.75 ] [ 0 0.380235 0.25 ] [ 0 0.992866 0.75 ] [ 0.5 0.507134 0.25 ] [ 0.5 0.119765 0.75 ] [ 0.5 0.880235 0.25 ] [ 0.5 0.492866 0.75 ] [ 0.75 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0.320999 0.843975 0.75 ] [ 0.320999 0.156025 0.25 ] [ 0.281475 0.028722 0.25 ] [ 0.281475 0.971278 0.75 ] [ 0 0.838928 0.498349 ] [ 0 0.161072 0.998349 ] [ 0 0.161072 0.501651 ] [ 0 0.838928 0.001651 ] [ 0.718525 0.971278 0.75 ] [ 0.718525 0.028722 0.25 ] [ 0.679001 0.156025 0.25 ] [ 0.679001 0.843975 0.75 ] [ 0.820999 0.343975 0.75 ] [ 0.820999 0.656025 0.25 ] [ 0.781475 0.528722 0.25 ] [ 0.781475 0.471278 0.75 ] [ 0.5 0.338928 0.498349 ] [ 0.5 0.661072 0.998349 ] [ 0.5 0.661072 0.501651 ] [ 0.5 0.338928 0.001651 ] [ 0.218525 0.471278 0.75 ] [ 0.218525 0.528722 0.25 ] [ 0.179001 0.656025 0.25 ] [ 0.179001 0.343975 0.75 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.3237131 "source-unit" "angstrom" } "b" { "source-value" 10.68654442 "source-unit" "angstrom" } "c" { "source-value" 6.83819498 "source-unit" "angstrom" } }