{ "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" [ [ 0.481736 0.264881 0.256023 ] [ 0.015496 0.265329 0.255121 ] [ 0.971669 0.74055 0.255942 ] [ 0.736443 0.910695 0.067654 ] [ 0.00907 0.25101 0.74951 ] [ 0.491532 0.249233 0.747864 ] [ 0.98977 0.73851 0.738268 ] [ 0.51371 0.73723 0.734028 ] [ 0.749003 0.351978 0.066224 ] [ 0.258635 0.651806 0.430842 ] [ 0.750445 0.35092 0.565841 ] [ 0.254994 0.650933 0.935916 ] [ 0.250387 0.424057 0.071929 ] [ 0.751242 0.581367 0.434588 ] [ 0.250488 0.422231 0.570337 ] [ 0.752473 0.578871 0.928053 ] [ 0.248437 0.926827 0.105675 ] [ 0.248456 0.926127 0.60262 ] [ 0.752576 0.076188 0.393768 ] [ 0.749438 0.070024 0.899205 ] [ 0.74713 0.13517 0.043717 ] [ 0.063207 0.32589 0.057788 ] [ 0.437783 0.330627 0.061371 ] [ 0.74838 0.432061 0.289041 ] [ 0.251285 0.45713 0.437469 ] [ 0.759401 0.542551 0.057767 ] [ 0.242341 0.5733 0.216901 ] [ 0.939999 0.675818 0.447197 ] [ 0.562884 0.676097 0.456909 ] [ 0.24233 0.829102 0.152067 ] [ 0.251646 0.826812 0.648585 ] [ 0.247944 0.868048 0.461038 ] [ 0.761807 0.938108 0.307208 ] [ 0.751987 0.927842 0.823964 ] [ 0.24617 0.066819 0.189193 ] [ 0.246822 0.064978 0.688973 ] [ 0.74866 0.136602 0.536711 ] [ 0.747273 0.174453 0.345691 ] [ 0.748857 0.160311 0.843925 ] [ 0.061956 0.326901 0.557046 ] [ 0.437416 0.328712 0.559253 ] [ 0.753483 0.426776 0.783584 ] [ 0.250049 0.457476 0.938809 ] [ 0.75351 0.545301 0.567748 ] [ 0.249755 0.573486 0.715632 ] [ 0.566798 0.673741 0.936649 ] [ 0.93643 0.679896 0.940889 ] [ 0.258852 0.866902 0.962339 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "C" "C" "C" "C" "O" "O" "O" "O" "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" 6.63833633 "source-unit" "angstrom" } "b" { "source-value" 10.14242356 "source-unit" "angstrom" } "c" { "source-value" 10.32064016 "source-unit" "angstrom" } "alpha" { "source-value" 118.68438679 "source-unit" "degree" } "beta" { "source-value" 89.7659203 "source-unit" "degree" } "gamma" { "source-value" 90.51004717 "source-unit" "degree" } }