{ "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" [ [ 0.245305 0.321131 0.919093 ] [ 0.244844 0.924855 0.916781 ] [ 0.654524 0.327967 0.920364 ] [ 0.761675 0.078308 0.66853 ] [ 0.841149 0.918071 0.330542 ] [ 0.240776 0.924588 0.340143 ] [ 0.349975 0.668106 0.077165 ] [ 0.736643 0.668092 0.080946 ] [ 0.497794 0.000444 0.495858 ] [ 0.48815 0.48863 0.507111 ] [ 0.001799 0.501472 0.497679 ] [ 0.99347 0.491672 0.999857 ] [ 0.438491 0.71695 0.722371 ] [ 0.556832 0.272322 0.670839 ] [ 0.949564 0.669908 0.268429 ] [ 0.943795 0.278673 0.282897 ] [ 0.061496 0.718133 0.718506 ] [ 0.055495 0.340204 0.728386 ] [ 0.44329 0.729851 0.337192 ] [ 0.561996 0.285139 0.271458 ] [ 0.747394 0.872261 0.876178 ] [ 0.248423 0.121229 0.121977 ] [ 0.316414 0.711814 0.855529 ] [ 0.435887 0.289585 0.672811 ] [ 0.433793 0.588822 0.711739 ] [ 0.537377 0.136554 0.677153 ] [ 0.56431 0.851645 0.599696 ] [ 0.623038 0.690644 0.942527 ] [ 0.622601 0.929948 0.931656 ] [ 0.693331 0.390491 0.667029 ] [ 0.820608 0.143758 0.29233 ] [ 0.817571 0.668938 0.385233 ] [ 0.863931 0.932031 0.700093 ] [ 0.860329 0.92567 0.940636 ] [ 0.928741 0.596707 0.854163 ] [ 0.923883 0.328511 0.724086 ] [ 0.939553 0.293906 0.40964 ] [ 0.968601 0.676284 0.133841 ] [ 0.060695 0.712179 0.594873 ] [ 0.05359 0.347158 0.855156 ] [ 0.071663 0.667478 0.282508 ] [ 0.070693 0.398811 0.148049 ] [ 0.126778 0.057734 0.298183 ] [ 0.12879 0.06214 0.061754 ] [ 0.189671 0.347376 0.605317 ] [ 0.195689 0.84278 0.71169 ] [ 0.319829 0.617849 0.324741 ] [ 0.37002 0.299591 0.055501 ] [ 0.367472 0.058878 0.064896 ] [ 0.437782 0.147814 0.386602 ] [ 0.440442 0.855877 0.354228 ] [ 0.564624 0.411475 0.288197 ] [ 0.567208 0.718491 0.333562 ] [ 0.688667 0.297504 0.134274 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "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" "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" 10.10870097 "source-unit" "angstrom" } "b" { "source-value" 10.18594013 "source-unit" "angstrom" } "c" { "source-value" 10.18976541 "source-unit" "angstrom" } "alpha" { "source-value" 118.9799217 "source-unit" "degree" } "beta" { "source-value" 90.91836911 "source-unit" "degree" } "gamma" { "source-value" 118.7484409 "source-unit" "degree" } }