{ "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" [ [ 0.131164 0.250061 0.949883 ] [ 0.444087 0.733944 0.847744 ] [ 0.555913 0.266056 0.152256 ] [ 0.868836 0.749939 0.050117 ] [ 0.94624 0.239307 0.348458 ] [ 0.244551 0.746767 0.253022 ] [ 0.352468 0.240159 0.554956 ] [ 0.647532 0.759841 0.445044 ] [ 0.755449 0.253233 0.746978 ] [ 0.05376 0.760693 0.651542 ] [ 0 0.5 0.5 ] [ 0.09377 0.992724 0.803251 ] [ 0.792966 0.494894 0.903503 ] [ 0.90623 0.007276 0.196749 ] [ 0.207034 0.505106 0.096497 ] [ 0.294891 0.995933 0.402414 ] [ 0.595908 0.495682 0.301645 ] [ 0.705109 0.004067 0.597586 ] [ 0.404092 0.504318 0.698355 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "H" "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" 5.63742944 "source-unit" "angstrom" } "b" { "source-value" 5.65170717 "source-unit" "angstrom" } "c" { "source-value" 8.63304316 "source-unit" "angstrom" } "alpha" { "source-value" 71.51355896 "source-unit" "degree" } "beta" { "source-value" 71.50871338 "source-unit" "degree" } "gamma" { "source-value" 80.2780262 "source-unit" "degree" } }