{ "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 0.5 0 ] [ 0.5 0 0.5 ] [ 0.985468 0.051249 0.2487 ] [ 0.014532 0.948751 0.7513 ] [ 0.515419 0.554708 0.250996 ] [ 0.484581 0.445292 0.749004 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.106056 0.469649 0.261834 ] [ 0.212578 0.195409 0.951454 ] [ 0.192691 0.215844 0.556359 ] [ 0.313788 0.714289 0.942656 ] [ 0.28596 0.691321 0.553179 ] [ 0.403074 0.960599 0.238959 ] [ 0.596926 0.039401 0.761041 ] [ 0.71404 0.308679 0.446821 ] [ 0.686212 0.285711 0.057344 ] [ 0.807309 0.784156 0.443641 ] [ 0.787422 0.804591 0.048546 ] [ 0.893944 0.530351 0.738166 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "Nd" "Nd" "Sb" "Sb" "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" 5.61503903 "source-unit" "angstrom" } "b" { "source-value" 5.79327925 "source-unit" "angstrom" } "c" { "source-value" 8.04449915 "source-unit" "angstrom" } "alpha" { "source-value" 89.97871179 "source-unit" "degree" } "beta" { "source-value" 89.65384086 "source-unit" "degree" } "gamma" { "source-value" 89.61370089 "source-unit" "degree" } }