{ "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" [ [ 0.049488 0.830228 0.256506 ] [ 0.950512 0.330228 0.743494 ] [ 0.45391 0.169489 0.758839 ] [ 0.55528 0.670781 0.756393 ] [ 0.54609 0.669489 0.241161 ] [ 0.44472 0.170781 0.243607 ] [ 0.939953 0.576441 0.500514 ] [ 0.060047 0.076441 0.499486 ] [ 0.577819 0.421979 0.014218 ] [ 0.422181 0.921979 0.985782 ] [ 0.563082 0.916826 0.495205 ] [ 0.436918 0.416826 0.504795 ] [ 0.064318 0.57992 0.995644 ] [ 0.935682 0.07992 0.004356 ] [ 0.455801 0.84229 0.277412 ] [ 0.5051 0.342258 0.283407 ] [ 0.879613 0.930102 0.47224 ] [ 0.562406 0.556904 0.495648 ] [ 0.437594 0.056904 0.504352 ] [ 0.120387 0.430102 0.52776 ] [ 0.4949 0.842258 0.716593 ] [ 0.544199 0.34229 0.722588 ] [ 0.036232 0.156312 0.782053 ] [ 0.956222 0.653765 0.774976 ] [ 0.9436 0.444217 0.996438 ] [ 0.0564 0.944217 0.003562 ] [ 0.382449 0.577232 0.998361 ] [ 0.617551 0.077232 0.001639 ] [ 0.963768 0.656312 0.217947 ] [ 0.043778 0.153765 0.225024 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 5.22181249 "source-unit" "angstrom" } "b" { "source-value" 11.05014224 "source-unit" "angstrom" } "c" { "source-value" 6.1288998 "source-unit" "angstrom" } "beta" { "source-value" 90.76200943 "source-unit" "degree" } }