{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.536788 0.778774 0.066187 ] [ 0.463212 0.221226 0.933813 ] [ 0.465046 0.217644 0.424299 ] [ 0.534954 0.782356 0.575701 ] [ 0.953294 0.648439 0.294312 ] [ 0.046706 0.351561 0.705688 ] [ 0.899277 0.205233 0.331652 ] [ 0.099221 0.783792 0.987874 ] [ 0.900779 0.216208 0.012126 ] [ 0.100723 0.794767 0.668348 ] [ 0.277761 0.429226 0.230538 ] [ 0.722239 0.570774 0.769462 ] [ 0.154333 0.368249 0.044951 ] [ 0.845667 0.631751 0.955049 ] [ 0.231294 0.79885 0.830242 ] [ 0.763063 0.0537 0.431263 ] [ 0.236937 0.9463 0.568737 ] [ 0.768706 0.20115 0.169758 ] [ 0.467864 0.482454 0.74723 ] [ 0.532136 0.517546 0.25277 ] [ 0.763971 0.083486 0.833901 ] [ 0.236029 0.916514 0.166099 ] [ 0.151004 0.369532 0.384381 ] [ 0.848996 0.630468 0.615619 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "B" "B" "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" 6.4187238469 "source-unit" "angstrom" } "b" { "source-value" 6.79649515033 "source-unit" "angstrom" } "c" { "source-value" 7.70279373844 "source-unit" "angstrom" } "alpha" { "source-value" 106.555130871 "source-unit" "degree" } "beta" { "source-value" 90.1876687828 "source-unit" "degree" } "gamma" { "source-value" 115.643969579 "source-unit" "degree" } }