{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.391784 0.000107 0.612506 ] [ 0.608216 0.500107 0.387494 ] [ 0.007611 0.248297 0.988621 ] [ 0.992389 0.748297 0.011379 ] [ 0.027548 0.743893 0.541922 ] [ 0.972452 0.243893 0.458078 ] [ 0.179864 0.756077 0.715808 ] [ 0.18204 0.240058 0.70109 ] [ 0.22888 0.997329 0.178305 ] [ 0.237861 0.498591 0.163591 ] [ 0.77112 0.497329 0.821695 ] [ 0.762139 0.998591 0.836409 ] [ 0.81796 0.740058 0.29891 ] [ 0.820136 0.256077 0.284192 ] ] } "species" { "source-value" [ "Li" "Li" "Te" "Te" "H" "H" "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" 5.06262032 "source-unit" "angstrom" } "b" { "source-value" 6.11882192 "source-unit" "angstrom" } "c" { "source-value" 5.11623297 "source-unit" "angstrom" } "beta" { "source-value" 101.60046656 "source-unit" "degree" } }