{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.38319 0.25 ] [ 0 0.61681 0.75 ] [ 0.5 0.88319 0.25 ] [ 0.5 0.11681 0.75 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.585599 0.377429 0.399185 ] [ 0.914401 0.877429 0.100815 ] [ 0.914401 0.122571 0.600815 ] [ 0.585599 0.622571 0.899185 ] [ 0.784802 0.909906 0.845878 ] [ 0.715198 0.409906 0.654122 ] [ 0.715198 0.590094 0.154122 ] [ 0.784802 0.090094 0.345878 ] [ 0.841544 0.459922 0.960308 ] [ 0.658456 0.959922 0.539692 ] [ 0.658456 0.040078 0.039692 ] [ 0.841544 0.540078 0.460308 ] [ 0.085599 0.877429 0.399185 ] [ 0.414401 0.377429 0.100815 ] [ 0.414401 0.622571 0.600815 ] [ 0.085599 0.122571 0.899185 ] [ 0.284802 0.409906 0.845878 ] [ 0.215198 0.909906 0.654122 ] [ 0.215198 0.090094 0.154122 ] [ 0.284802 0.590094 0.345878 ] [ 0.341544 0.959922 0.960308 ] [ 0.158456 0.459922 0.539692 ] [ 0.158456 0.540078 0.039692 ] [ 0.341544 0.040078 0.460308 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "W" "W" "W" "W" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.5489172666 "source-unit" "angstrom" } "b" { "source-value" 6.62538008 "source-unit" "angstrom" } "c" { "source-value" 12.7346432278 "source-unit" "angstrom" } "beta" { "source-value" 102.075395494 "source-unit" "degree" } }