{ "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" [ [ 0.967601 0 0.186669 ] [ 0.032399 0 0.813331 ] [ 0.191182 0.5 0.137288 ] [ 0.808818 0.5 0.862712 ] [ 0.134952 0.5 0.488149 ] [ 0.865048 0.5 0.511851 ] [ 0.467601 0.5 0.186669 ] [ 0.532399 0.5 0.813331 ] [ 0.691182 0 0.137288 ] [ 0.308818 0 0.862712 ] [ 0.634952 0 0.488149 ] [ 0.365048 0 0.511851 ] [ 0 0.5 0 ] [ 0.971267 0.5 0.343267 ] [ 0.028733 0.5 0.656733 ] [ 0.794164 0 0.376571 ] [ 0.205836 0 0.623429 ] [ 0.825124 0 0.02976 ] [ 0.871988 0 0.717531 ] [ 0.128012 0 0.282469 ] [ 0.174876 0 0.97024 ] [ 0.5 0 0 ] [ 0.471267 0 0.343267 ] [ 0.528733 0 0.656733 ] [ 0.294164 0.5 0.376571 ] [ 0.705836 0.5 0.623429 ] [ 0.325124 0.5 0.02976 ] [ 0.371988 0.5 0.717531 ] [ 0.628012 0.5 0.282469 ] [ 0.674876 0.5 0.97024 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.1349007414 "source-unit" "angstrom" } "b" { "source-value" 3.53486998 "source-unit" "angstrom" } "c" { "source-value" 8.71736992914 "source-unit" "angstrom" } "beta" { "source-value" 100.324360368 "source-unit" "degree" } }