{ "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" [ [ 0.706089 0.434433 0.178627 ] [ 0.706089 0.065567 0.678627 ] [ 0.293911 0.934433 0.321373 ] [ 0.293911 0.565567 0.821373 ] [ 0 0 0.5 ] [ 0.787921 0.377532 0.495966 ] [ 0 0.5 0 ] [ 0.787921 0.122468 0.995966 ] [ 0.212079 0.877532 0.004034 ] [ 0.212079 0.622468 0.504034 ] [ 0.86348 0.79247 0.190504 ] [ 0.86348 0.70753 0.690504 ] [ 0.604574 0.041713 0.225771 ] [ 0.395426 0.541713 0.274229 ] [ 0.604574 0.458287 0.725771 ] [ 0.395426 0.958287 0.774229 ] [ 0.13652 0.29247 0.309496 ] [ 0.13652 0.20753 0.809496 ] [ 0.006498 0.299912 0.173896 ] [ 0.925446 0.904375 0.100582 ] [ 0.824531 0.620432 0.13688 ] [ 0.006498 0.200088 0.673896 ] [ 0.925446 0.595625 0.600582 ] [ 0.674697 0.8665 0.189606 ] [ 0.634977 0.169461 0.132065 ] [ 0.824531 0.879568 0.63688 ] [ 0.708784 0.081757 0.363188 ] [ 0.591271 0.50906 0.297042 ] [ 0.674697 0.6335 0.689606 ] [ 0.634977 0.330539 0.632065 ] [ 0.708784 0.418243 0.863188 ] [ 0.408729 0.00906 0.202958 ] [ 0.591271 0.99094 0.797042 ] [ 0.291216 0.581757 0.136812 ] [ 0.365023 0.669461 0.367935 ] [ 0.325303 0.3665 0.310394 ] [ 0.408729 0.49094 0.702958 ] [ 0.291216 0.918243 0.636812 ] [ 0.175469 0.120432 0.36312 ] [ 0.365023 0.830539 0.867935 ] [ 0.325303 0.1335 0.810394 ] [ 0.074554 0.404375 0.399418 ] [ 0.993502 0.799912 0.326104 ] [ 0.175469 0.379568 0.86312 ] [ 0.074554 0.095625 0.899418 ] [ 0.993502 0.700088 0.826104 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.00334054 "source-unit" "angstrom" } "b" { "source-value" 8.20058451 "source-unit" "angstrom" } "c" { "source-value" 11.19986234 "source-unit" "angstrom" } "beta" { "source-value" 108.98298347 "source-unit" "degree" } }