{ "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 0 0.5 ] [ 0 0.5 0 ] [ 0.499912 0.227496 0.623839 ] [ 0.500088 0.727496 0.876161 ] [ 0.500088 0.772504 0.376161 ] [ 0.499912 0.272504 0.123839 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.877914 0.16705 0.969653 ] [ 0.122086 0.66705 0.530347 ] [ 0.122086 0.83295 0.030347 ] [ 0.877914 0.33295 0.469653 ] [ 0.184894 0.054907 0.208914 ] [ 0.815106 0.554907 0.291086 ] [ 0.815106 0.945093 0.791086 ] [ 0.184894 0.445093 0.708914 ] [ 0.186283 0.055745 0.884261 ] [ 0.813717 0.555745 0.615739 ] [ 0.813717 0.944255 0.115739 ] [ 0.186283 0.444255 0.384261 ] [ 0.800104 0.265348 0.95054 ] [ 0.199896 0.765348 0.54946 ] [ 0.199896 0.734652 0.04946 ] [ 0.800104 0.234652 0.45054 ] [ 0.293096 0.087351 0.335881 ] [ 0.706904 0.587351 0.164119 ] [ 0.706904 0.912649 0.664119 ] [ 0.293096 0.412649 0.835881 ] [ 0.295104 0.089431 0.812381 ] [ 0.704896 0.589431 0.687619 ] [ 0.704896 0.910569 0.187619 ] [ 0.295104 0.410569 0.312381 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.19846946778 "source-unit" "angstrom" } "b" { "source-value" 10.67141345 "source-unit" "angstrom" } "c" { "source-value" 8.44847540974 "source-unit" "angstrom" } "beta" { "source-value" 106.970922063 "source-unit" "degree" } }