{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.782524 0.435543 0.282623 ] [ 0.217476 0.935543 0.217377 ] [ 0.782524 0.064457 0.782623 ] [ 0.217476 0.564457 0.717377 ] [ 0.218493 0.60368 0.181093 ] [ 0.781507 0.10368 0.318907 ] [ 0.72261 0.753453 0.175902 ] [ 0.27739 0.253453 0.324098 ] [ 0.72261 0.746547 0.675902 ] [ 0.27739 0.246547 0.824098 ] [ 0.218493 0.89632 0.681093 ] [ 0.781507 0.39632 0.818907 ] [ 0.600523 0.606151 0.057241 ] [ 0.540941 0.997501 0.220838 ] [ 0.92911 0.41732 0.075455 ] [ 0.615528 0.238785 0.286471 ] [ 0.384472 0.738785 0.213529 ] [ 0.92958 0.049267 0.083187 ] [ 0.459059 0.497501 0.279162 ] [ 0.954197 0.76828 0.131524 ] [ 0.045803 0.26828 0.368476 ] [ 0.600523 0.893849 0.557241 ] [ 0.07042 0.549267 0.416813 ] [ 0.92911 0.08268 0.575455 ] [ 0.07089 0.91732 0.424545 ] [ 0.92958 0.450733 0.583187 ] [ 0.399477 0.106151 0.442759 ] [ 0.954197 0.73172 0.631524 ] [ 0.045803 0.23172 0.868476 ] [ 0.540941 0.502499 0.720838 ] [ 0.07042 0.950733 0.916813 ] [ 0.615528 0.261215 0.786471 ] [ 0.384472 0.761215 0.713529 ] [ 0.07089 0.58268 0.924545 ] [ 0.459059 0.002499 0.779162 ] [ 0.399477 0.393849 0.942759 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "I" "I" "I" "I" "I" "I" "I" "I" "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" 7.13053193 "source-unit" "angstrom" } "b" { "source-value" 11.50103369 "source-unit" "angstrom" } "c" { "source-value" 8.95163912 "source-unit" "angstrom" } "beta" { "source-value" 127.70436685 "source-unit" "degree" } }