{ "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" [ [ 0.17595 0.837975 0.331223 ] [ 0.5 0.5 0 ] [ 0.661896 0.327545 0.834669 ] [ 0.338104 0.672455 0.165331 ] [ 0.324694 0.162668 0.66681 ] [ 0.675306 0.837332 0.33319 ] [ 0.82405 0.162025 0.668777 ] [ 0.83133 0.668969 0.168789 ] [ 0.5 0.5 0.5 ] [ 0.160783 0.82708 0.835065 ] [ 0.824827 0.659664 0.669493 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.337382 0.173469 0.164917 ] [ 0.662618 0.826531 0.835083 ] [ 0 0.5 0 ] [ 0.669281 0.334417 0.332514 ] [ 0.330719 0.665583 0.667486 ] [ 0 0 0 ] [ 0.16867 0.331031 0.831211 ] [ 0.5 0 0.5 ] [ 0.839217 0.17292 0.164935 ] [ 0.175173 0.340336 0.330507 ] [ 0.5 0 0 ] [ 0.869785 0.693517 0.915324 ] [ 0.835322 0.643987 0.428861 ] [ 0.495661 0.522481 0.749617 ] [ 0.152868 0.849391 0.073875 ] [ 0.150628 0.805556 0.574825 ] [ 0.504339 0.477519 0.250383 ] [ 0.658291 0.354414 0.572664 ] [ 0.003044 0.02599 0.236763 ] [ 0.314157 0.674768 0.912212 ] [ 0.02197 0.523475 0.750538 ] [ 0.97803 0.476525 0.249462 ] [ 0.659297 0.816737 0.577514 ] [ 0.297259 0.135507 0.919961 ] [ 0.340703 0.183263 0.422486 ] [ 0.702741 0.864493 0.080039 ] [ 0.996956 0.97401 0.763237 ] [ 0.685843 0.325232 0.087788 ] [ 0.341709 0.645586 0.427336 ] [ 0.164678 0.356013 0.571139 ] [ 0.540072 0.044781 0.239703 ] [ 0.459928 0.955219 0.760297 ] [ 0.130215 0.306483 0.084676 ] [ 0.849372 0.194444 0.425175 ] [ 0.847132 0.150609 0.926125 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.9879905 "source-unit" "angstrom" } "b" { "source-value" 6.04661608 "source-unit" "angstrom" } "c" { "source-value" 14.7950428 "source-unit" "angstrom" } "alpha" { "source-value" 90.08887123 "source-unit" "degree" } "beta" { "source-value" 90.21383718 "source-unit" "degree" } "gamma" { "source-value" 118.87312307 "source-unit" "degree" } }