{ "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" [ [ 0.327462 0.663983 0.002524 ] [ 0.672538 0.336017 0.997476 ] [ 0.333361 0.917621 0.749934 ] [ 0.012242 0.761935 0.26454 ] [ 0.334941 0.412903 0.2588 ] [ 0.666639 0.082379 0.250066 ] [ 0.987758 0.238065 0.73546 ] [ 0.665059 0.587097 0.7412 ] [ 0.325646 0.904984 0.232363 ] [ 0.5 0 0 ] [ 0.800929 0.899749 0.230363 ] [ 0.019564 0.750725 0.769033 ] [ 0.5 0.5 0.5 ] [ 0.167511 0.834627 0.5033 ] [ 0.648342 0.573696 0.219009 ] [ 0.837548 0.651306 0.000359 ] [ 0.162452 0.348694 0.999641 ] [ 0.854929 0.426207 0.773319 ] [ 0.504851 0.25342 0.231383 ] [ 0.495149 0.74658 0.768617 ] [ 0.145071 0.573793 0.226681 ] [ 0.832489 0.165373 0.4967 ] [ 0.980436 0.249275 0.230967 ] [ 0.351658 0.426304 0.780991 ] [ 0.199071 0.100251 0.769637 ] [ 0.674354 0.095016 0.767637 ] ] } "species" { "source-value" [ "Nd" "Nd" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "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" 5.58408555 "source-unit" "angstrom" } "b" { "source-value" 8.8315016 "source-unit" "angstrom" } "c" { "source-value" 8.8900595 "source-unit" "angstrom" } "alpha" { "source-value" 101.49956577 "source-unit" "degree" } "beta" { "source-value" 108.26294445 "source-unit" "degree" } "gamma" { "source-value" 108.41073724 "source-unit" "degree" } }