{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.806857 0.497957 0.948663 ] [ 0.806857 0.502043 0.448663 ] [ 0.193143 0.497957 0.551337 ] [ 0.193143 0.502043 0.051337 ] [ 0.306857 0.997957 0.948663 ] [ 0.306857 0.002043 0.448663 ] [ 0.693143 0.997957 0.551337 ] [ 0.693143 0.002043 0.051337 ] [ 0.233225 0.993775 0.659635 ] [ 0.233225 0.006225 0.159635 ] [ 0.011705 0.851854 0.866131 ] [ 0.988295 0.851854 0.633869 ] [ 0.011705 0.148146 0.366131 ] [ 0.988295 0.148146 0.133869 ] [ 0.766775 0.993775 0.840365 ] [ 0.766775 0.006225 0.340365 ] [ 0.733225 0.493775 0.659635 ] [ 0.733225 0.506225 0.159635 ] [ 0.511705 0.351854 0.866131 ] [ 0.488295 0.351854 0.633869 ] [ 0.511705 0.648146 0.366131 ] [ 0.488295 0.648146 0.133869 ] [ 0.266775 0.493775 0.840365 ] [ 0.266775 0.506225 0.340365 ] [ 0.112932 0.990525 0.896769 ] [ 0.096747 0.996674 0.653209 ] [ 0.112932 0.009475 0.396769 ] [ 0.096747 0.003326 0.153209 ] [ 0.800739 0.494052 0.776046 ] [ 0.750771 0.675229 0.594881 ] [ 0.755717 0.31817 0.59346 ] [ 0.004694 0.679751 0.939967 ] [ 0.800739 0.505948 0.276046 ] [ 0.750771 0.324771 0.094881 ] [ 0.755717 0.68183 0.09346 ] [ 0 0.755619 0.75 ] [ 0.995306 0.679751 0.560033 ] [ 0.004694 0.320249 0.439967 ] [ 0 0.244381 0.25 ] [ 0.244283 0.31817 0.90654 ] [ 0.249229 0.675229 0.905119 ] [ 0.199261 0.494052 0.723954 ] [ 0.995306 0.320249 0.060033 ] [ 0.244283 0.68183 0.40654 ] [ 0.249229 0.324771 0.405119 ] [ 0.199261 0.505948 0.223954 ] [ 0.903253 0.996674 0.846791 ] [ 0.887068 0.990525 0.603231 ] [ 0.903253 0.003326 0.346791 ] [ 0.887068 0.009475 0.103231 ] [ 0.612932 0.490525 0.896769 ] [ 0.596747 0.496674 0.653209 ] [ 0.612932 0.509475 0.396769 ] [ 0.596747 0.503326 0.153209 ] [ 0.300739 0.994052 0.776046 ] [ 0.250771 0.175229 0.594881 ] [ 0.255717 0.81817 0.59346 ] [ 0.504694 0.179751 0.939967 ] [ 0.300739 0.005948 0.276046 ] [ 0.250771 0.824771 0.094881 ] [ 0.255717 0.18183 0.09346 ] [ 0.5 0.255619 0.75 ] [ 0.495306 0.179751 0.560033 ] [ 0.504694 0.820249 0.439967 ] [ 0.5 0.744381 0.25 ] [ 0.744283 0.81817 0.90654 ] [ 0.749229 0.175229 0.905119 ] [ 0.699261 0.994052 0.723954 ] [ 0.495306 0.820249 0.060033 ] [ 0.744283 0.18183 0.40654 ] [ 0.749229 0.824771 0.405119 ] [ 0.699261 0.005948 0.223954 ] [ 0.403253 0.496674 0.846791 ] [ 0.387068 0.490525 0.603231 ] [ 0.403253 0.503326 0.346791 ] [ 0.387068 0.509475 0.103231 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "P" "P" "P" "P" "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" "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" 11.9644062 "source-unit" "angstrom" } "b" { "source-value" 6.77580014 "source-unit" "angstrom" } "c" { "source-value" 12.99407539 "source-unit" "angstrom" } "beta" { "source-value" 106.11799068 "source-unit" "degree" } }