{ "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 0 0.5 ] [ 0.199498 0.399111 0.898919 ] [ 0.199488 0.900047 0.898882 ] [ 0.599749 0.199222 0.699384 ] [ 0.60114 0.700747 0.699679 ] [ 0 0.5 0.5 ] [ 0.800502 0.600889 0.101081 ] [ 0.800512 0.099953 0.101118 ] [ 0.400251 0.800778 0.300616 ] [ 0.39886 0.299253 0.300321 ] [ 0.84986 0.824996 0.949854 ] [ 0.15014 0.175004 0.050146 ] [ 0.150057 0.675111 0.050183 ] [ 0.849943 0.324889 0.949817 ] [ 0.549767 0.97499 0.849748 ] [ 0.549971 0.474816 0.849793 ] [ 0.247644 0.123632 0.747493 ] [ 0.95023 0.272343 0.648356 ] [ 0.249499 0.62496 0.749726 ] [ 0.950352 0.777026 0.648544 ] [ 0.346871 0.074211 0.450575 ] [ 0.349669 0.57507 0.449892 ] [ 0.04977 0.727657 0.351644 ] [ 0.650331 0.42493 0.550108 ] [ 0.653129 0.925789 0.549425 ] [ 0.049648 0.222974 0.351456 ] [ 0.450233 0.02501 0.150252 ] [ 0.450029 0.525184 0.150207 ] [ 0.750501 0.37504 0.250274 ] [ 0.752356 0.876368 0.252507 ] ] } "species" { "source-value" [ "Ce" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "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" 6.86409037 "source-unit" "angstrom" } "b" { "source-value" 7.92382859 "source-unit" "angstrom" } "c" { "source-value" 8.85943397 "source-unit" "angstrom" } "alpha" { "source-value" 102.92325626 "source-unit" "degree" } "beta" { "source-value" 97.42291006 "source-unit" "degree" } "gamma" { "source-value" 106.77408475 "source-unit" "degree" } }