{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.138284 0.336589 0.223287 ] [ 0.138284 0.663411 0.223287 ] [ 0.861716 0.663411 0.723287 ] [ 0.861716 0.336589 0.723287 ] [ 0.638284 0.836589 0.223287 ] [ 0.638284 0.163411 0.223287 ] [ 0.361716 0.163411 0.723287 ] [ 0.361716 0.836589 0.723287 ] [ 0.903429 0 0.766558 ] [ 0.096571 0 0.266558 ] [ 0.403429 0.5 0.766558 ] [ 0.596571 0.5 0.266558 ] [ 0.371674 0 0.352877 ] [ 0.628326 0 0.852877 ] [ 0.025235 0.876155 0.000995 ] [ 0.974765 0.123845 0.500995 ] [ 0.025235 0.123845 0.000995 ] [ 0.974765 0.876155 0.500995 ] [ 0.871674 0.5 0.352877 ] [ 0.128326 0.5 0.852877 ] [ 0.525235 0.376155 0.000995 ] [ 0.474765 0.623845 0.500995 ] [ 0.525235 0.623845 0.000995 ] [ 0.474765 0.376155 0.500995 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Pr" "Pr" "Pr" "Pr" "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" 7.80282011 "source-unit" "angstrom" } "b" { "source-value" 11.88836479 "source-unit" "angstrom" } "c" { "source-value" 6.72970882 "source-unit" "angstrom" } }