{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.1164 0.650371 0.793223 ] [ 0.1164 0.849629 0.293223 ] [ 0.8836 0.150371 0.706777 ] [ 0.8836 0.349629 0.206777 ] [ 0.513415 0.860309 0.845808 ] [ 0.486585 0.360309 0.654192 ] [ 0.513415 0.639691 0.345808 ] [ 0.486585 0.139691 0.154192 ] [ 0.203203 0.190018 0.925428 ] [ 0.203203 0.309982 0.425428 ] [ 0.796797 0.690018 0.574572 ] [ 0.796797 0.809982 0.074572 ] [ 0.080218 0.297076 0.84061 ] [ 0.080218 0.202924 0.34061 ] [ 0.257685 0.956897 0.91089 ] [ 0.257685 0.543103 0.41089 ] [ 0.282149 0.19785 0.529831 ] [ 0.386114 0.62546 0.734259 ] [ 0.282149 0.30215 0.029831 ] [ 0.386114 0.87454 0.234259 ] [ 0.613886 0.12546 0.765741 ] [ 0.717851 0.69785 0.970169 ] [ 0.613886 0.37454 0.265741 ] [ 0.717851 0.80215 0.470169 ] [ 0.742315 0.456897 0.58911 ] [ 0.742315 0.043103 0.08911 ] [ 0.919782 0.797076 0.65939 ] [ 0.919782 0.702924 0.15939 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "O" "O" "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" 6.6123691 "source-unit" "angstrom" } "b" { "source-value" 5.44823185 "source-unit" "angstrom" } "c" { "source-value" 10.5365077 "source-unit" "angstrom" } "beta" { "source-value" 98.08986258 "source-unit" "degree" } }