{ "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" [ [ 0.994399 0.8129 0.12684 ] [ 0.999847 0.936088 0.372086 ] [ 0.000153 0.063912 0.627914 ] [ 0.000096 0.440596 0.374785 ] [ 0.005601 0.1871 0.87316 ] [ 0.999904 0.559404 0.625215 ] [ 0.5 0.5 0 ] [ 0.001488 0.316568 0.121673 ] [ 0.505053 0.121988 0.249443 ] [ 0.494947 0.878012 0.750557 ] [ 0.499234 0.250624 0.500355 ] [ 0.5 0 0 ] [ 0.50064 0.624377 0.246581 ] [ 0.49936 0.375623 0.753419 ] [ 0.500766 0.749376 0.499645 ] [ 0.998512 0.683432 0.878327 ] [ 0.27125 0.978609 0.189385 ] [ 0.271168 0.849439 0.920732 ] [ 0.711664 0.916925 0.569734 ] [ 0.288336 0.083075 0.430266 ] [ 0.26664 0.438428 0.198024 ] [ 0.270572 0.199429 0.690436 ] [ 0.72875 0.021391 0.810615 ] [ 0.732906 0.271102 0.307368 ] [ 0.276318 0.582188 0.442982 ] [ 0.723682 0.417812 0.557018 ] [ 0.245099 0.342269 0.937576 ] [ 0.728832 0.150561 0.079268 ] [ 0.729428 0.800571 0.309564 ] [ 0.267094 0.728898 0.692632 ] [ 0.73336 0.561572 0.801976 ] [ 0.754901 0.657731 0.062424 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.9970865 "source-unit" "angstrom" } "b" { "source-value" 5.74893237 "source-unit" "angstrom" } "c" { "source-value" 10.4704939 "source-unit" "angstrom" } "alpha" { "source-value" 74.21813537 "source-unit" "degree" } "beta" { "source-value" 77.02791794 "source-unit" "degree" } "gamma" { "source-value" 73.597368 "source-unit" "degree" } }