{ "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" [ [ 0.22881 0.103974 0.452974 ] [ 0.77119 0.896026 0.547026 ] [ 0.498234 0.225485 0.860656 ] [ 0.790999 0.212429 0.392234 ] [ 0.209001 0.787571 0.607766 ] [ 0.501766 0.774515 0.139344 ] [ 0 0 0 ] [ 0.077538 0.398622 0.810138 ] [ 0.63272 0.583382 0.70372 ] [ 0.36728 0.416618 0.29628 ] [ 0.922462 0.601378 0.189862 ] [ 0.884811 0.183729 0.573153 ] [ 0.797543 0.342701 0.958888 ] [ 0.527106 0.017029 0.276239 ] [ 0.403221 0.329056 0.73261 ] [ 0.030668 0.192387 0.267306 ] [ 0.689335 0.411667 0.434492 ] [ 0.305718 0.226309 0.017776 ] [ 0.694282 0.773691 0.982224 ] [ 0.310665 0.588333 0.565508 ] [ 0.969332 0.807613 0.732694 ] [ 0.596779 0.670944 0.26739 ] [ 0.472894 0.982971 0.723761 ] [ 0.202457 0.657299 0.041112 ] [ 0.115189 0.816271 0.426847 ] ] } "species" { "source-value" [ "Li" "Li" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.42059442 "source-unit" "angstrom" } "b" { "source-value" 7.49245795 "source-unit" "angstrom" } "c" { "source-value" 7.92382318 "source-unit" "angstrom" } "alpha" { "source-value" 114.33913638 "source-unit" "degree" } "beta" { "source-value" 91.01032656 "source-unit" "degree" } "gamma" { "source-value" 105.24879219 "source-unit" "degree" } }