{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.790354 0.490151 0.228238 ] [ 0.790354 0.009849 0.228238 ] [ 0.209646 0.509849 0.771762 ] [ 0.209646 0.990151 0.771762 ] [ 0.222716 0.25 0.344223 ] [ 0.777284 0.75 0.655777 ] [ 0.301526 0.75 0.434878 ] [ 0.698474 0.25 0.565122 ] [ 0.293989 0.25 0.050006 ] [ 0.706011 0.75 0.949994 ] [ 0.751751 0.75 0.096137 ] [ 0.092472 0.25 0.133711 ] [ 0.511345 0.25 0.122069 ] [ 0.185066 0.954565 0.319743 ] [ 0.185066 0.545435 0.319743 ] [ 0.798524 0.25 0.384918 ] [ 0.633917 0.75 0.448199 ] [ 0.366083 0.25 0.551801 ] [ 0.201476 0.75 0.615082 ] [ 0.814934 0.454565 0.680257 ] [ 0.814934 0.045435 0.680257 ] [ 0.488655 0.75 0.877931 ] [ 0.907528 0.75 0.866289 ] [ 0.248249 0.25 0.903863 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "As" "As" "C" "C" "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" 5.30582779 "source-unit" "angstrom" } "b" { "source-value" 6.34270249 "source-unit" "angstrom" } "c" { "source-value" 8.70220413 "source-unit" "angstrom" } "beta" { "source-value" 94.27514928 "source-unit" "degree" } }