{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.198252 0 0.076709 ] [ 0.104469 0.5 0.903063 ] [ 0.607494 0 0.650333 ] [ 0.101071 0.5 0.151078 ] [ 0.990957 0 0.744773 ] [ 0.020244 0 0.260994 ] [ 0.893731 0.5 0.081073 ] [ 0.416273 0 0.359063 ] [ 0.883495 0.5 0.830629 ] [ 0.796869 0 0.92168 ] [ 0.694184 0.5 0.564868 ] [ 0.698252 0.5 0.076709 ] [ 0.604469 0 0.903063 ] [ 0.107494 0.5 0.650333 ] [ 0.601071 0 0.151078 ] [ 0.490957 0.5 0.744773 ] [ 0.520244 0.5 0.260994 ] [ 0.393731 0 0.081073 ] [ 0.916273 0.5 0.359063 ] [ 0.383495 0 0.830629 ] [ 0.296869 0.5 0.92168 ] [ 0.194184 0 0.564868 ] [ 0.296613 0.5 0.441678 ] [ 0.796613 0 0.441678 ] [ 0.994958 0 0.997316 ] [ 0.887575 0.5 0.580378 ] [ 0.308006 0.5 0.216496 ] [ 0.691555 0.5 0.81738 ] [ 0.114253 0.5 0.40249 ] [ 0.494958 0.5 0.997316 ] [ 0.387575 0 0.580378 ] [ 0.808006 0 0.216496 ] [ 0.191555 0 0.81738 ] [ 0.614253 0 0.40249 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.77745315 "source-unit" "angstrom" } "b" { "source-value" 4.11262301 "source-unit" "angstrom" } "c" { "source-value" 10.27045867 "source-unit" "angstrom" } "beta" { "source-value" 117.93337878 "source-unit" "degree" } }