{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.853405 0 0.871579 ] [ 0.146595 0 0.128421 ] [ 0.353405 0.5 0.871579 ] [ 0.646595 0.5 0.128421 ] [ 0.923381 0.5 0.029998 ] [ 0.076619 0.5 0.970002 ] [ 0.423381 0 0.029998 ] [ 0.576619 0 0.970002 ] [ 0.825142 0 0.324429 ] [ 0.174858 0 0.675571 ] [ 0.325142 0.5 0.324429 ] [ 0.674858 0.5 0.675571 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "C" "C" "C" "C" "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" 7.33175677686 "source-unit" "angstrom" } "b" { "source-value" 3.91420654 "source-unit" "angstrom" } "c" { "source-value" 10.7809292319 "source-unit" "angstrom" } "beta" { "source-value" 93.5244155139 "source-unit" "degree" } }