{ "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" [ [ 0.795164 0.830868 0.016337 ] [ 0.204836 0.169132 0.983663 ] [ 0.295164 0.669132 0.516337 ] [ 0.704836 0.330868 0.483663 ] [ 0.229546 0.133363 0.487406 ] [ 0.270454 0.633363 0.012594 ] [ 0.729546 0.366637 0.987406 ] [ 0.770454 0.866637 0.512594 ] [ 0.801273 0.594571 0.749508 ] [ 0.698727 0.094571 0.750492 ] [ 0.301273 0.905429 0.249508 ] [ 0.198727 0.405429 0.250492 ] [ 0.676661 0.67287 0.577198 ] [ 0.244949 0.061294 0.222689 ] [ 0.181272 0.862766 0.447928 ] [ 0.176661 0.82713 0.077198 ] [ 0.892164 0.376578 0.244443 ] [ 0.823339 0.17287 0.922802 ] [ 0.818728 0.137234 0.552072 ] [ 0.255051 0.561294 0.277311 ] [ 0.744949 0.438706 0.722689 ] [ 0.681272 0.637234 0.947928 ] [ 0.755051 0.938706 0.777311 ] [ 0.607836 0.876578 0.255557 ] [ 0.392164 0.123422 0.744443 ] [ 0.323339 0.32713 0.422802 ] [ 0.318728 0.362766 0.052072 ] [ 0.107836 0.623422 0.755557 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.00693595733 "source-unit" "angstrom" } "b" { "source-value" 9.76590337 "source-unit" "angstrom" } "c" { "source-value" 6.92537962581 "source-unit" "angstrom" } "beta" { "source-value" 90.1516562925 "source-unit" "degree" } }