{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.760801 0 0.909101 ] [ 0.247265 0.774424 0.724845 ] [ 0.247265 0.225576 0.724845 ] [ 0.753079 0.279408 0.275125 ] [ 0.753079 0.720592 0.275125 ] [ 0.240983 0.5 0.094582 ] [ 0.207169 0 0.329676 ] [ 0.78416 0.5 0.664093 ] [ 0.717128 0 0.587165 ] [ 0.281092 0.5 0.409479 ] [ 0.705965 0.5 0.968775 ] [ 0.298896 0 0.035311 ] [ 0.952866 0.5 0.93539 ] [ 0.354029 0 0.889104 ] [ 0.515653 0.5 0.85436 ] [ 0.824302 0.81354 0.688692 ] [ 0.824302 0.18646 0.688692 ] [ 0.188631 0.5 0.578458 ] [ 0.404244 0 0.570997 ] [ 0.594059 0.5 0.42085 ] [ 0.818376 0 0.421983 ] [ 0.169708 0.683908 0.309602 ] [ 0.169708 0.316092 0.309602 ] [ 0.492319 0 0.146575 ] [ 0.64099 0.5 0.112705 ] [ 0.053928 0 0.074868 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "Cr" "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" 4.99675421 "source-unit" "angstrom" } "b" { "source-value" 6.53157815 "source-unit" "angstrom" } "c" { "source-value" 8.5642573 "source-unit" "angstrom" } "beta" { "source-value" 94.62941558 "source-unit" "degree" } }