{ "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" [ [ 0.800403 0.600913 0.600849 ] [ 0.59939 0.198776 0.198809 ] [ 0 0.5 0 ] [ 0.800421 0.099904 0.60106 ] [ 0.199597 0.399087 0.399151 ] [ 0.601365 0.700925 0.199417 ] [ 0.398635 0.299075 0.800583 ] [ 0.199579 0.900096 0.39894 ] [ 0.40061 0.801224 0.801191 ] [ 0 0 0 ] [ 0.850167 0.325141 0.45025 ] [ 0.646995 0.924184 0.05068 ] [ 0.949684 0.773063 0.151379 ] [ 0.449812 0.524731 0.649875 ] [ 0.850031 0.825044 0.450042 ] [ 0.251952 0.126053 0.251954 ] [ 0.749586 0.374862 0.749979 ] [ 0.6497 0.425089 0.049855 ] [ 0.550189 0.974857 0.350293 ] [ 0.449811 0.025143 0.649707 ] [ 0.050404 0.722819 0.848666 ] [ 0.949596 0.277181 0.151334 ] [ 0.3503 0.574911 0.950145 ] [ 0.250414 0.625138 0.250021 ] [ 0.748048 0.873947 0.748046 ] [ 0.550188 0.475269 0.350125 ] [ 0.149969 0.174956 0.549958 ] [ 0.050316 0.226937 0.848621 ] [ 0.353005 0.075816 0.94932 ] [ 0.149833 0.674859 0.54975 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Gd" "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" 6.6863113 "source-unit" "angstrom" } "b" { "source-value" 7.72216879 "source-unit" "angstrom" } "c" { "source-value" 8.63864072 "source-unit" "angstrom" } "alpha" { "source-value" 102.91744533 "source-unit" "degree" } "beta" { "source-value" 97.46374817 "source-unit" "degree" } "gamma" { "source-value" 106.7226675 "source-unit" "degree" } }