{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.80944 0.441789 0.936673 ] [ 0.809884 0.936418 0.436875 ] [ 0.19056 0.441789 0.063327 ] [ 0.690116 0.436418 0.563125 ] [ 0.045273 0.946133 0.182548 ] [ 0.06683 0.435914 0.689069 ] [ 0.954727 0.946133 0.817452 ] [ 0.43317 0.935914 0.310931 ] [ 0.30944 0.941789 0.936673 ] [ 0.309884 0.436418 0.436875 ] [ 0.69056 0.941789 0.063327 ] [ 0.190116 0.936418 0.563125 ] [ 0.545273 0.446133 0.182548 ] [ 0.56683 0.935914 0.689069 ] [ 0.454727 0.446133 0.817452 ] [ 0.93317 0.435914 0.310931 ] [ 0.118069 0.012917 0.871399 ] [ 0.881931 0.012917 0.128601 ] [ 0.618069 0.512917 0.871399 ] [ 0.381931 0.512917 0.128601 ] [ 0.897262 0.741486 0.89981 ] [ 0.620286 0.039674 0.375253 ] [ 0 0.348587 0 ] [ 0.102738 0.741486 0.10019 ] [ 0.896847 0.238824 0.398686 ] [ 0.603153 0.738824 0.601314 ] [ 0.853996 0.237827 0.850851 ] [ 0.228128 0.637807 0.976604 ] [ 0.722803 0.634205 0.474726 ] [ 0.023917 0.136294 0.274511 ] [ 0 0.833118 0.5 ] [ 0.146004 0.237827 0.149149 ] [ 0.845129 0.738804 0.348391 ] [ 0.654871 0.238804 0.651609 ] [ 0.020951 0.633682 0.774815 ] [ 0.979049 0.633682 0.225185 ] [ 0.271872 0.137807 0.023396 ] [ 0.777197 0.134205 0.525274 ] [ 0.879714 0.539674 0.624747 ] [ 0.757346 0.844498 0.753565 ] [ 0.242654 0.844498 0.246435 ] [ 0.976083 0.136294 0.725489 ] [ 0.397262 0.241486 0.89981 ] [ 0.120286 0.539674 0.375253 ] [ 0.5 0.848587 0 ] [ 0.602738 0.241486 0.10019 ] [ 0.396847 0.738824 0.398686 ] [ 0.103153 0.238824 0.601314 ] [ 0.353996 0.737827 0.850851 ] [ 0.728128 0.137807 0.976604 ] [ 0.222803 0.134205 0.474726 ] [ 0.523917 0.636294 0.274511 ] [ 0.5 0.333118 0.5 ] [ 0.646004 0.737827 0.149149 ] [ 0.345129 0.238804 0.348391 ] [ 0.154871 0.738804 0.651609 ] [ 0.520951 0.133682 0.774815 ] [ 0.479049 0.133682 0.225185 ] [ 0.771872 0.637807 0.023396 ] [ 0.277197 0.634205 0.525274 ] [ 0.379714 0.039674 0.624747 ] [ 0.257346 0.344498 0.753565 ] [ 0.742654 0.344498 0.246435 ] [ 0.476083 0.636294 0.725489 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.56802709 "source-unit" "angstrom" } "b" { "source-value" 5.29878433 "source-unit" "angstrom" } "c" { "source-value" 17.69359068 "source-unit" "angstrom" } "beta" { "source-value" 102.87880818 "source-unit" "degree" } }