{ "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" [ [ 0.857373 0.740717 0.747143 ] [ 0.142627 0.240717 0.752857 ] [ 0.857373 0.759283 0.247143 ] [ 0.142627 0.259283 0.252857 ] [ 0.295758 0.984411 0.052402 ] [ 0.704242 0.484411 0.447598 ] [ 0.295758 0.515589 0.552402 ] [ 0.704242 0.015589 0.947598 ] [ 0.248095 0.640337 0.174719 ] [ 0.751905 0.140337 0.325281 ] [ 0.248095 0.859663 0.674719 ] [ 0.751905 0.359663 0.825281 ] [ 0.092266 0.758249 0.058886 ] [ 0.870737 0.469599 0.751746 ] [ 0.514416 0.636072 0.222251 ] [ 0.485584 0.136072 0.277749 ] [ 0.907734 0.258249 0.441114 ] [ 0.870737 0.030401 0.251746 ] [ 0.129263 0.969599 0.748254 ] [ 0.092266 0.741751 0.558886 ] [ 0.514416 0.863928 0.722251 ] [ 0.485584 0.363928 0.777749 ] [ 0.129263 0.530401 0.248254 ] [ 0.907734 0.241751 0.941114 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "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" 5.26520791 "source-unit" "angstrom" } "b" { "source-value" 7.92516539 "source-unit" "angstrom" } "c" { "source-value" 7.27686911 "source-unit" "angstrom" } "beta" { "source-value" 114.13107275 "source-unit" "degree" } }