{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.335241 0.140305 0.320093 ] [ 0 0.5 0 ] [ 0.664759 0.640305 0.179907 ] [ 0 0 0.5 ] [ 0.335241 0.359695 0.820093 ] [ 0.664759 0.859695 0.679907 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.821803 0.177155 0.791039 ] [ 0.178197 0.677155 0.708961 ] [ 0.821803 0.322845 0.291039 ] [ 0.178197 0.822845 0.208961 ] [ 0.857492 0.345285 0.77621 ] [ 0.751931 0.095676 0.601931 ] [ 0.527928 0.355312 0.319457 ] [ 0.159759 0.12251 0.990559 ] [ 0.472072 0.855312 0.180543 ] [ 0.840241 0.62251 0.509441 ] [ 0.248069 0.595676 0.898069 ] [ 0.142508 0.845285 0.72379 ] [ 0.857492 0.154715 0.27621 ] [ 0.751931 0.404324 0.101931 ] [ 0.159759 0.37749 0.490559 ] [ 0.527928 0.144688 0.819457 ] [ 0.840241 0.87749 0.009441 ] [ 0.472072 0.644688 0.680543 ] [ 0.248069 0.904324 0.398069 ] [ 0.142508 0.654715 0.22379 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "P" "P" "P" "P" "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" 4.82884289 "source-unit" "angstrom" } "b" { "source-value" 9.08845002 "source-unit" "angstrom" } "c" { "source-value" 7.83956603 "source-unit" "angstrom" } "beta" { "source-value" 123.96270745 "source-unit" "degree" } }