{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.751481 0.25022 0.249072 ] [ 0.751481 0.74978 0.749072 ] [ 0.5 0.761431 0.25 ] [ 0.5 0.238569 0.75 ] [ 0.248519 0.25022 0.250928 ] [ 0.248519 0.74978 0.750928 ] [ 0.163537 0.408218 0.528072 ] [ 0.163537 0.591782 0.028072 ] [ 0 0.01447 0.25 ] [ 0 0.98553 0.75 ] [ 0.836463 0.591782 0.471928 ] [ 0.836463 0.408218 0.971928 ] [ 0.673081 0.091105 0.525122 ] [ 0.673081 0.908895 0.025122 ] [ 0.5 0.480153 0.25 ] [ 0.5 0.519847 0.75 ] [ 0.326919 0.908895 0.474878 ] [ 0.326919 0.091105 0.974878 ] [ 0.142501 0.14166 0.512083 ] [ 0.142501 0.85834 0.012083 ] [ 0 0.45926 0.25 ] [ 0 0.54074 0.75 ] [ 0.857499 0.85834 0.487917 ] [ 0.857499 0.14166 0.987917 ] [ 0.640327 0.357395 0.51394 ] [ 0.640327 0.642605 0.01394 ] [ 0.5 0.040193 0.25 ] [ 0.5 0.959807 0.75 ] [ 0.359673 0.642605 0.48606 ] [ 0.359673 0.357395 0.98606 ] [ 0.205305 0.249653 0.573892 ] [ 0.205305 0.750347 0.073892 ] [ 0.166945 0.469965 0.702486 ] [ 0.166945 0.530035 0.202486 ] [ 0.164075 0.573107 0.473023 ] [ 0.164075 0.426893 0.973023 ] [ 0.10864 0.379731 0.345628 ] [ 0.10864 0.620269 0.845628 ] [ 0.066771 0.153181 0.374665 ] [ 0.066771 0.846819 0.874665 ] [ 0.015361 0.914755 0.414807 ] [ 0.015361 0.085245 0.914807 ] [ 0.984639 0.085245 0.585193 ] [ 0.984639 0.914755 0.085193 ] [ 0.933229 0.846819 0.625335 ] [ 0.933229 0.153181 0.125335 ] [ 0.89136 0.620269 0.654372 ] [ 0.89136 0.379731 0.154372 ] [ 0.835925 0.426893 0.526977 ] [ 0.835925 0.573107 0.026977 ] [ 0.833055 0.530035 0.297514 ] [ 0.833055 0.469965 0.797514 ] [ 0.794695 0.750347 0.426108 ] [ 0.794695 0.249653 0.926108 ] [ 0.677243 0.244552 0.578029 ] [ 0.677243 0.755448 0.078029 ] [ 0.663746 0.033916 0.702913 ] [ 0.663746 0.966084 0.202913 ] [ 0.664689 0.933595 0.475307 ] [ 0.664689 0.066405 0.975307 ] [ 0.60922 0.119831 0.344953 ] [ 0.60922 0.880169 0.844953 ] [ 0.566533 0.344716 0.376523 ] [ 0.566533 0.655284 0.876523 ] [ 0.513563 0.585405 0.410624 ] [ 0.513563 0.414595 0.910624 ] [ 0.486437 0.414595 0.589376 ] [ 0.486437 0.585405 0.089376 ] [ 0.433467 0.655284 0.623477 ] [ 0.433467 0.344716 0.123477 ] [ 0.39078 0.880169 0.655047 ] [ 0.39078 0.119831 0.155047 ] [ 0.335311 0.066405 0.524693 ] [ 0.335311 0.933595 0.024693 ] [ 0.336254 0.966084 0.297087 ] [ 0.336254 0.033916 0.797087 ] [ 0.322757 0.755448 0.421971 ] [ 0.322757 0.244552 0.921971 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 6.71416983 "source-unit" "angstrom" } "b" { "source-value" 12.34530472 "source-unit" "angstrom" } "c" { "source-value" 10.91738938 "source-unit" "angstrom" } "beta" { "source-value" 95.84457903 "source-unit" "degree" } }