{ "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" [ [ 0.776841 0.996084 0.244315 ] [ 0.223159 0.003916 0.755685 ] [ 0.223159 0.496084 0.755685 ] [ 0.776841 0.503916 0.244315 ] [ 0.789272 0.75 0.65082 ] [ 0.210728 0.25 0.34918 ] [ 0.714936 0.25 0.579104 ] [ 0.285064 0.75 0.420896 ] [ 0.732909 0.75 0.944769 ] [ 0.267091 0.25 0.055231 ] [ 0.531241 0.75 0.840586 ] [ 0.96592 0.75 0.88374 ] [ 0.468759 0.25 0.159414 ] [ 0.174651 0.942526 0.324466 ] [ 0.174651 0.557474 0.324466 ] [ 0.185921 0.75 0.59195 ] [ 0.814079 0.25 0.40805 ] [ 0.825349 0.442526 0.675534 ] [ 0.825349 0.057474 0.675534 ] [ 0.403123 0.25 0.566716 ] [ 0.70377 0.75 0.092439 ] [ 0.29623 0.25 0.907561 ] [ 0.596877 0.75 0.433284 ] [ 0.03408 0.25 0.11626 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "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" 5.01673832986 "source-unit" "angstrom" } "b" { "source-value" 6.28543187 "source-unit" "angstrom" } "c" { "source-value" 8.45313114474 "source-unit" "angstrom" } "beta" { "source-value" 92.8390960689 "source-unit" "degree" } }