{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.503179 0 ] [ 0.5 0.498983 0.5 ] [ 0.005596 0.334376 0.754386 ] [ 0.5 0.166372 0.5 ] [ 0.5 0.827521 0 ] [ 0.000957 0.662971 0.75799 ] [ 0.5 0.83172 0.5 ] [ 0.994404 0.334376 0.245614 ] [ 0.997184 0.999318 0.251708 ] [ 0.002816 0.999318 0.748292 ] [ 0.999043 0.662971 0.24201 ] [ 0.5 0.167944 0 ] [ 0.698874 0.666805 0.400282 ] [ 0.694857 0.329334 0.400873 ] [ 0.805114 0.494287 0.148739 ] [ 0.303284 0.671484 0.098805 ] [ 0.301126 0.666805 0.599718 ] [ 0.195318 0.834765 0.346047 ] [ 0.186307 0.166294 0.344316 ] [ 0.813693 0.166294 0.655684 ] [ 0.692851 0.000934 0.40195 ] [ 0.220287 0.161857 0.85759 ] [ 0.691011 0.304479 0.906894 ] [ 0.779713 0.161857 0.14241 ] [ 0.801111 0.496233 0.652795 ] [ 0.198889 0.496233 0.347205 ] [ 0.194886 0.494287 0.851261 ] [ 0.194593 0.84101 0.850985 ] [ 0.305143 0.329334 0.599127 ] [ 0.308989 0.304479 0.093106 ] [ 0.314216 0.017994 0.091808 ] [ 0.696716 0.671484 0.901195 ] [ 0.804682 0.834765 0.653953 ] [ 0.307149 0.000934 0.59805 ] [ 0.805407 0.84101 0.149015 ] [ 0.685784 0.017994 0.908192 ] ] } "species" { "source-value" [ "Li" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47679382681 "source-unit" "angstrom" } "b" { "source-value" 8.98010355 "source-unit" "angstrom" } "c" { "source-value" 8.9672441359 "source-unit" "angstrom" } "beta" { "source-value" 90.3319912983 "source-unit" "degree" } }