{ "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" [ [ 0.127702 0.5 0.06317 ] [ 0.999546 0 0.189164 ] [ 0.872298 0.5 0.93683 ] [ 0.000454 0 0.810836 ] [ 0.627702 0 0.06317 ] [ 0.499546 0.5 0.189164 ] [ 0.372298 0 0.93683 ] [ 0.500454 0.5 0.810836 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.162641 0 0.338997 ] [ 0.166383 0 0.821962 ] [ 0.833617 0 0.178038 ] [ 0 0.5 0.5 ] [ 0.837359 0 0.661003 ] [ 0.662641 0.5 0.338997 ] [ 0.666383 0.5 0.821962 ] [ 0.333617 0.5 0.178038 ] [ 0.5 0 0.5 ] [ 0.337359 0.5 0.661003 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "C" "C" "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" 19.2737874231 "source-unit" "angstrom" } "b" { "source-value" 3.97942743025 "source-unit" "angstrom" } "c" { "source-value" 8.60615089504 "source-unit" "angstrom" } "beta" { "source-value" 102.451355043 "source-unit" "degree" } }