{ "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" [ [ 0.246092 0.917561 0.129464 ] [ 0.248608 0.916845 0.630985 ] [ 0.498656 0.739971 0.874278 ] [ 0.001065 0.739492 0.374662 ] [ 0.499281 0.738937 0.374243 ] [ 0.501344 0.260029 0.125722 ] [ 0.500719 0.261063 0.625757 ] [ 0.998935 0.260508 0.625338 ] [ 0.753908 0.082439 0.870536 ] [ 0.751392 0.083155 0.369015 ] [ 0.004032 0.73171 0.872588 ] [ 0.995968 0.26829 0.127412 ] [ 0.75009 0.644412 0.141178 ] [ 0.751938 0.644938 0.643772 ] [ 0.24991 0.355588 0.858822 ] [ 0.248062 0.355062 0.356228 ] [ 0.243323 0.585257 0.098279 ] [ 0.249881 0.586448 0.601406 ] [ 0.756677 0.414743 0.901721 ] [ 0.750119 0.413552 0.398594 ] [ 0.757124 0.942659 0.115441 ] [ 0.750711 0.939689 0.616573 ] [ 0.242876 0.057341 0.884559 ] [ 0.249289 0.060311 0.383427 ] [ 0.234849 0.912772 0.89144 ] [ 0.251586 0.916636 0.391269 ] [ 0.750181 0.879019 0.227025 ] [ 0.751882 0.87692 0.728867 ] [ 0.755126 0.859714 0.011379 ] [ 0.75184 0.856732 0.512871 ] [ 0.061385 0.682051 0.143564 ] [ 0.436858 0.675507 0.14064 ] [ 0.064323 0.681437 0.645268 ] [ 0.44008 0.681146 0.642021 ] [ 0.238479 0.571693 0.948155 ] [ 0.763917 0.571704 0.842258 ] [ 0.247213 0.567044 0.451917 ] [ 0.749966 0.567264 0.335417 ] [ 0.236083 0.428296 0.157742 ] [ 0.761521 0.428307 0.051845 ] [ 0.250034 0.432736 0.664583 ] [ 0.752787 0.432956 0.548083 ] [ 0.563142 0.324493 0.85936 ] [ 0.938615 0.317949 0.856436 ] [ 0.55992 0.318854 0.357979 ] [ 0.935677 0.318563 0.354732 ] [ 0.244874 0.140286 0.988621 ] [ 0.24816 0.143268 0.487129 ] [ 0.249819 0.120981 0.772975 ] [ 0.248118 0.12308 0.271133 ] [ 0.765151 0.087228 0.10856 ] [ 0.748414 0.083364 0.608731 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 6.60255099 "source-unit" "angstrom" } "b" { "source-value" 8.98842298 "source-unit" "angstrom" } "c" { "source-value" 10.38355669 "source-unit" "angstrom" } "alpha" { "source-value" 90.97069993 "source-unit" "degree" } "beta" { "source-value" 90.19428956 "source-unit" "degree" } "gamma" { "source-value" 90.5623574 "source-unit" "degree" } }