{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.621081 0.057932 0.576359 ] [ 0.378919 0.557932 0.423641 ] [ 0.993134 0.997292 0.241397 ] [ 0.006866 0.497292 0.758603 ] [ 0.130297 0.261066 0.135036 ] [ 0.143625 0.241349 0.624181 ] [ 0.869703 0.761066 0.864964 ] [ 0.856375 0.741349 0.375819 ] [ 0.283376 0.12013 0.178431 ] [ 0.213502 0.408878 0.097839 ] [ 0.112478 0.734608 0.85694 ] [ 0.887522 0.234608 0.14306 ] [ 0.786498 0.908878 0.902161 ] [ 0.716624 0.62013 0.821569 ] [ 0.279191 0.389646 0.656487 ] [ 0.231784 0.101092 0.572232 ] [ 0.089969 0.752787 0.344733 ] [ 0.910031 0.252787 0.655267 ] [ 0.768216 0.601092 0.427768 ] [ 0.720809 0.889646 0.343513 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "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" 5.20611393 "source-unit" "angstrom" } "b" { "source-value" 7.65313996 "source-unit" "angstrom" } "c" { "source-value" 6.46711048 "source-unit" "angstrom" } "beta" { "source-value" 113.64976218 "source-unit" "degree" } }