{ "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" [ [ 0.714871 0.5 0.881351 ] [ 0.285129 0.5 0.118649 ] [ 0.869916 0 0.626104 ] [ 0.130084 0 0.373896 ] [ 0.214871 0 0.881351 ] [ 0.785129 0 0.118649 ] [ 0.369916 0.5 0.626104 ] [ 0.630084 0.5 0.373896 ] [ 0.766542 0.5 0.677597 ] [ 0.085102 0 0.956358 ] [ 0.026226 0.5 0.649167 ] [ 0.973774 0.5 0.350833 ] [ 0.233458 0.5 0.322403 ] [ 0.914898 0 0.043642 ] [ 0.266542 0 0.677597 ] [ 0.585102 0.5 0.956358 ] [ 0.526226 0 0.649167 ] [ 0.473774 0 0.350833 ] [ 0.733458 0 0.322403 ] [ 0.414898 0.5 0.043642 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.2612404558 "source-unit" "angstrom" } "b" { "source-value" 3.70333530018 "source-unit" "angstrom" } "c" { "source-value" 12.9351580368 "source-unit" "angstrom" } "beta" { "source-value" 136.553340423 "source-unit" "degree" } }