{ "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" [ [ 0.7589 0.243437 0.917605 ] [ 0.248129 0.50015 0.741315 ] [ 0.752385 0.500928 0.258646 ] [ 0.243106 0.008573 0.731485 ] [ 0.756633 0.99185 0.267347 ] [ 0.243682 0.761592 0.084007 ] [ 0.785591 0.752164 0.647725 ] [ 0.214458 0.247193 0.351617 ] [ 0.700645 0.241171 0.585971 ] [ 0.300412 0.757725 0.409178 ] [ 0.728386 0.760176 0.951527 ] [ 0.270377 0.239585 0.054763 ] [ 0.283274 0.230858 0.906584 ] [ 0.965341 0.751671 0.899667 ] [ 0.527203 0.758973 0.856492 ] [ 0.804055 0.063386 0.685602 ] [ 0.783978 0.439622 0.676645 ] [ 0.394927 0.232043 0.573336 ] [ 0.183699 0.767014 0.570036 ] [ 0.814708 0.23263 0.425149 ] [ 0.605494 0.767459 0.425858 ] [ 0.218154 0.560416 0.3173 ] [ 0.199502 0.933095 0.305876 ] [ 0.482041 0.240936 0.140709 ] [ 0.04405 0.248099 0.118422 ] [ 0.690871 0.769254 0.097139 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.10149687 "source-unit" "angstrom" } "b" { "source-value" 6.58203735 "source-unit" "angstrom" } "c" { "source-value" 8.77040597 "source-unit" "angstrom" } "alpha" { "source-value" 91.46987506 "source-unit" "degree" } "beta" { "source-value" 91.79028148 "source-unit" "degree" } "gamma" { "source-value" 90.01332009 "source-unit" "degree" } }