{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.801644 0 0.922911 ] [ 0.898222 0.5 0.847923 ] [ 0.3923 0 0.348527 ] [ 0.896159 0.5 0.097201 ] [ 0.010345 0 0.256093 ] [ 0.980083 0 0.740148 ] [ 0.583269 0 0.640675 ] [ 0.116735 0.5 0.169061 ] [ 0.106336 0.5 0.918819 ] [ 0.203679 0 0.07785 ] [ 0.305062 0.5 0.434978 ] [ 0.301644 0.5 0.922911 ] [ 0.398222 0 0.847923 ] [ 0.8923 0.5 0.348527 ] [ 0.396159 0 0.097201 ] [ 0.510345 0.5 0.256093 ] [ 0.480083 0.5 0.740148 ] [ 0.083269 0.5 0.640675 ] [ 0.616735 0 0.169061 ] [ 0.606336 0 0.918819 ] [ 0.703679 0.5 0.07785 ] [ 0.805062 0 0.434978 ] [ 0.703331 0.5 0.558503 ] [ 0.203331 0 0.558503 ] [ 0.004884 0 0.003 ] [ 0.111769 0.5 0.419286 ] [ 0.691407 0.5 0.784845 ] [ 0.309186 0.5 0.183337 ] [ 0.885588 0.5 0.596844 ] [ 0.504884 0.5 0.003 ] [ 0.611769 0 0.419286 ] [ 0.191407 0 0.784845 ] [ 0.809186 0 0.183337 ] [ 0.385588 0 0.596844 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.22405543 "source-unit" "angstrom" } "b" { "source-value" 4.24839197 "source-unit" "angstrom" } "c" { "source-value" 10.6016007 "source-unit" "angstrom" } "beta" { "source-value" 117.83138266 "source-unit" "degree" } }