{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.817269 0.75 0.997213 ] [ 0.182731 0.25 0.002787 ] [ 0.456587 0.75 0.809756 ] [ 0.543413 0.25 0.190244 ] [ 0.067937 0.75 0.668264 ] [ 0.932063 0.25 0.331736 ] [ 0.339422 0.75 0.416398 ] [ 0.660578 0.25 0.583602 ] [ 0.022811 0.75 0.886766 ] [ 0.977189 0.25 0.113234 ] [ 0.691055 0.75 0.749599 ] [ 0.308945 0.25 0.250401 ] [ 0.102039 0.75 0.436409 ] [ 0.897961 0.25 0.563591 ] [ 0.581652 0.75 0.401715 ] [ 0.418348 0.25 0.598285 ] [ 0.753781 0.75 0.223087 ] [ 0.246219 0.25 0.776913 ] [ 0.389772 0.75 0.036908 ] [ 0.610228 0.25 0.963092 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8991876628 "source-unit" "angstrom" } "b" { "source-value" 3.88645784 "source-unit" "angstrom" } "c" { "source-value" 11.1548346914 "source-unit" "angstrom" } "beta" { "source-value" 108.853072914 "source-unit" "degree" } }