{ "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" [ [ 0.851429 0.5 0.921615 ] [ 0.614684 0 0.567948 ] [ 0.136327 0 0.816841 ] [ 0.385316 0 0.432052 ] [ 0.863673 0 0.183159 ] [ 0.148571 0.5 0.078385 ] [ 0.351429 0 0.921615 ] [ 0.114684 0.5 0.567948 ] [ 0.636327 0.5 0.816841 ] [ 0.885316 0.5 0.432052 ] [ 0.363673 0.5 0.183159 ] [ 0.648571 0 0.078385 ] [ 0.751386 0 0.875665 ] [ 0.248614 0 0.124335 ] [ 0 0 0.5 ] [ 0.251386 0.5 0.875665 ] [ 0.748614 0.5 0.124335 ] [ 0.5 0.5 0.5 ] [ 0.005401 0.5 0.252465 ] [ 0.745476 0.5 0.618398 ] [ 0.994599 0.5 0.747535 ] [ 0.254524 0.5 0.381602 ] [ 0 0 0 ] [ 0.505401 0 0.252465 ] [ 0.245476 0 0.618398 ] [ 0.494599 0 0.747535 ] [ 0.754524 0 0.381602 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "C" "C" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.2432186327 "source-unit" "angstrom" } "b" { "source-value" 3.69407674801 "source-unit" "angstrom" } "c" { "source-value" 13.2640729879 "source-unit" "angstrom" } "beta" { "source-value" 141.755854097 "source-unit" "degree" } }