{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.057921 0.292393 0.893118 ] [ 0.445344 0.01375 0.475791 ] [ 0.616041 0.395849 0.243375 ] [ 0.387942 0.603295 0.754999 ] [ 0.935188 0.712416 0.11018 ] [ 0.749053 0.916353 0.659903 ] [ 0.159104 0.644551 0.553859 ] [ 0.642627 0.156026 0.054447 ] [ 0.355628 0.84432 0.947761 ] [ 0.851593 0.353972 0.438763 ] [ 0.252394 0.464399 0.240402 ] [ 0.467594 0.247443 0.735993 ] [ 0.534289 0.752001 0.265156 ] [ 0.74894 0.536416 0.755582 ] [ 0.043949 0.963054 0.745956 ] [ 0.953988 0.03981 0.252293 ] [ 0.106421 0.002248 0.085112 ] [ 0.002498 0.116921 0.585795 ] [ 0.068436 0.436272 0.294633 ] [ 0.270568 0.626754 0.055092 ] [ 0.427139 0.282895 0.228955 ] [ 0.251888 0.520414 0.384176 ] [ 0.056389 0.788049 0.74433 ] [ 0.427591 0.069279 0.789469 ] [ 0.285283 0.420087 0.723261 ] [ 0.479224 0.762548 0.114687 ] [ 0.777015 0.056458 0.251345 ] [ 0.374277 0.730798 0.450966 ] [ 0.636147 0.255264 0.556304 ] [ 0.222537 0.940371 0.748764 ] [ 0.519095 0.240242 0.88685 ] [ 0.71463 0.575522 0.275371 ] [ 0.58308 0.924454 0.211834 ] [ 0.93398 0.218343 0.250958 ] [ 0.747782 0.481194 0.612919 ] [ 0.57689 0.720378 0.770169 ] [ 0.735499 0.372514 0.940128 ] [ 0.927273 0.577486 0.701131 ] [ 0.996417 0.887668 0.414137 ] [ 0.892345 0.997797 0.914037 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Zr" "Zr" "Zr" "Zr" "Si" "Si" "Si" "Si" "P" "P" "O" "O" "O" "O" "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" 9.14256305 "source-unit" "angstrom" } "b" { "source-value" 9.17178679 "source-unit" "angstrom" } "c" { "source-value" 9.30179164 "source-unit" "angstrom" } "alpha" { "source-value" 61.40410859 "source-unit" "degree" } "beta" { "source-value" 61.09662262 "source-unit" "degree" } "gamma" { "source-value" 60.42078484 "source-unit" "degree" } }