{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.823793 0.08531 ] [ 0 0.176207 0.91469 ] [ 0 0.323793 0.41469 ] [ 0 0.676207 0.58531 ] [ 0 0.443598 0.129108 ] [ 0 0.556402 0.870892 ] [ 0 0.943598 0.370892 ] [ 0 0.056402 0.629108 ] [ 0 0.139918 0.179444 ] [ 0 0.860082 0.820556 ] [ 0 0.639918 0.320556 ] [ 0 0.360082 0.679444 ] [ 0.5 0.053674 0.066358 ] [ 0.5 0.946326 0.933642 ] [ 0.5 0.553674 0.433642 ] [ 0.5 0.446326 0.566358 ] [ 0.5 0.247668 0.081307 ] [ 0.5 0.752332 0.918693 ] [ 0.5 0.747668 0.418693 ] [ 0.5 0.252332 0.581307 ] [ 0.5 0.293135 0.236002 ] [ 0.5 0.706865 0.763998 ] [ 0.5 0.793135 0.263998 ] [ 0.5 0.206865 0.736002 ] [ 0.5 0.133944 0.315913 ] [ 0.5 0.866056 0.684087 ] [ 0.5 0.633944 0.184087 ] [ 0.5 0.366056 0.815913 ] [ 0.5 0.485386 0.2885 ] [ 0.5 0.514614 0.7115 ] [ 0.5 0.985386 0.2115 ] [ 0.5 0.014614 0.7885 ] [ 0.5 0.107011 0.471035 ] [ 0.5 0.892989 0.528965 ] [ 0.5 0.607011 0.028965 ] [ 0.5 0.392989 0.971035 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.48902299 "source-unit" "angstrom" } "b" { "source-value" 8.98372741 "source-unit" "angstrom" } "c" { "source-value" 11.32477144 "source-unit" "angstrom" } }