{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.141687 0 0.868505 ] [ 0.358313 0.5 0.131495 ] [ 0.390512 0.5 0.619915 ] [ 0.109488 0 0.380085 ] [ 0.641687 0.5 0.868505 ] [ 0.858313 0 0.131495 ] [ 0.890512 0 0.619915 ] [ 0.609488 0.5 0.380085 ] [ 0.247793 0 0.250905 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.252207 0.5 0.749095 ] [ 0.747793 0.5 0.250905 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.752207 0 0.749095 ] [ 0.304322 0 0.932942 ] [ 0.448436 0.5 0.326135 ] [ 0.198867 0 0.582188 ] [ 0.051564 0 0.673865 ] [ 0.301133 0.5 0.417812 ] [ 0.052665 0.5 0.230949 ] [ 0.447335 0 0.769051 ] [ 0.195678 0.5 0.067058 ] [ 0.804322 0.5 0.932942 ] [ 0.948436 0 0.326135 ] [ 0.698867 0.5 0.582188 ] [ 0.551564 0.5 0.673865 ] [ 0.801133 0 0.417812 ] [ 0.552665 0 0.230949 ] [ 0.947335 0.5 0.769051 ] [ 0.695678 0 0.067058 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" 20.272827631 "source-unit" "angstrom" } "b" { "source-value" 2.84100593589 "source-unit" "angstrom" } "c" { "source-value" 5.2335692846 "source-unit" "angstrom" } "beta" { "source-value" 99.6872190154 "source-unit" "degree" } }