{ "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 0.080361 0.25 ] [ 0 0.919639 0.75 ] [ 0.5 0.580361 0.25 ] [ 0.5 0.419639 0.75 ] [ 0.19922 0.793154 0.728753 ] [ 0.19922 0.206846 0.228753 ] [ 0.189004 0.971001 0.057017 ] [ 0.810996 0.028999 0.942983 ] [ 0.189004 0.028999 0.557017 ] [ 0.80078 0.206846 0.271247 ] [ 0.810996 0.971001 0.442983 ] [ 0.80078 0.793154 0.771247 ] [ 0.69922 0.293154 0.728753 ] [ 0.69922 0.706846 0.228753 ] [ 0.689004 0.471001 0.057017 ] [ 0.310996 0.528999 0.942983 ] [ 0.689004 0.528999 0.557017 ] [ 0.30078 0.706846 0.271247 ] [ 0.310996 0.471001 0.442983 ] [ 0.30078 0.293154 0.771247 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.94303279328 "source-unit" "angstrom" } "b" { "source-value" 16.4460067587 "source-unit" "angstrom" } "c" { "source-value" 8.17908199837 "source-unit" "angstrom" } "beta" { "source-value" 95.4164732373 "source-unit" "degree" } }