{ "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" [ [ 0.272974 0.75 0.760446 ] [ 0.383459 0.25 0.945911 ] [ 0.616541 0.75 0.054089 ] [ 0.727026 0.25 0.239554 ] [ 0.141344 0.75 0.003162 ] [ 0.040721 0.75 0.365889 ] [ 0.188955 0.25 0.203908 ] [ 0.357918 0.25 0.435724 ] [ 0.478177 0.25 0.687449 ] [ 0.521823 0.75 0.312551 ] [ 0.642082 0.75 0.564276 ] [ 0.811045 0.75 0.796092 ] [ 0.959279 0.25 0.634111 ] [ 0.858656 0.25 0.996838 ] [ 0.087405 0.25 0.818579 ] [ 0.205742 0.75 0.573733 ] [ 0.591738 0.25 0.883231 ] [ 0.408262 0.75 0.116769 ] [ 0.794258 0.25 0.426267 ] [ 0.912595 0.75 0.181421 ] [ 0.165891 0.25 0.910072 ] [ 0.069399 0.75 0.586095 ] [ 0.149139 0.25 0.747881 ] [ 0.063362 0.75 0.212049 ] [ 0.157622 0.25 0.34444 ] [ 0.227099 0.75 0.486292 ] [ 0.330145 0.75 0.649779 ] [ 0.074604 0.25 0.064381 ] [ 0.455532 0.25 0.822013 ] [ 0.62029 0.25 0.977507 ] [ 0.281759 0.75 0.144588 ] [ 0.387827 0.25 0.294074 ] [ 0.510764 0.25 0.565551 ] [ 0.489236 0.75 0.434449 ] [ 0.612173 0.75 0.705926 ] [ 0.718241 0.25 0.855412 ] [ 0.37971 0.75 0.022493 ] [ 0.544468 0.75 0.177987 ] [ 0.925396 0.75 0.935619 ] [ 0.669855 0.25 0.350221 ] [ 0.772901 0.25 0.513708 ] [ 0.842378 0.75 0.65556 ] [ 0.936638 0.25 0.787951 ] [ 0.850861 0.75 0.252119 ] [ 0.930601 0.25 0.413905 ] [ 0.834109 0.75 0.089928 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.61664909 "source-unit" "angstrom" } "b" { "source-value" 3.23444844 "source-unit" "angstrom" } "c" { "source-value" 15.12135326 "source-unit" "angstrom" } "beta" { "source-value" 106.46637902 "source-unit" "degree" } }