{ "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" [ [ 0.832454 0.5 0.732438 ] [ 0.167546 0.5 0.267562 ] [ 0.332454 0 0.732438 ] [ 0.667546 0 0.267562 ] [ 0.000673 0 0.309785 ] [ 0.108051 0.5 0.671702 ] [ 0.999327 0 0.690215 ] [ 0.891949 0.5 0.328298 ] [ 0.794701 0 0.963258 ] [ 0.205299 0 0.036742 ] [ 0.500673 0.5 0.309785 ] [ 0.608051 0 0.671702 ] [ 0.499327 0.5 0.690215 ] [ 0.391949 0 0.328298 ] [ 0.294701 0.5 0.963258 ] [ 0.705299 0.5 0.036742 ] [ 0 0.749643 0.5 ] [ 0.879594 0.250254 0.135091 ] [ 0 0.250357 0.5 ] [ 0.810875 0 0.72232 ] [ 0.120406 0.250254 0.864909 ] [ 0.189125 0 0.27768 ] [ 0.879594 0.749746 0.135091 ] [ 0.120406 0.749746 0.864909 ] [ 0.5 0.249643 0.5 ] [ 0.379594 0.750254 0.135091 ] [ 0.5 0.750357 0.5 ] [ 0.310875 0.5 0.72232 ] [ 0.620406 0.750254 0.864909 ] [ 0.689125 0.5 0.27768 ] [ 0.379594 0.249746 0.135091 ] [ 0.620406 0.249746 0.864909 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" 10.3496886719 "source-unit" "angstrom" } "b" { "source-value" 5.65265662781 "source-unit" "angstrom" } "c" { "source-value" 7.98233877697 "source-unit" "angstrom" } "beta" { "source-value" 111.892998319 "source-unit" "degree" } }