{ "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 0 0 ] [ 0.749572 0.5 0.874361 ] [ 0.996864 0.5 0.746864 ] [ 0.250428 0.5 0.125639 ] [ 0.003136 0.5 0.253136 ] [ 0.5 0.5 0 ] [ 0.249572 0 0.874361 ] [ 0.496864 0 0.746864 ] [ 0.750428 0 0.125639 ] [ 0.503136 0 0.253136 ] [ 0.75068 0 0.874722 ] [ 0.999177 0 0.750089 ] [ 0.5 0 0.5 ] [ 0.750788 0.5 0.624582 ] [ 0.000823 0 0.249911 ] [ 0.249212 0.5 0.375418 ] [ 0 0.5 0 ] [ 0.24932 0 0.125278 ] [ 0.25068 0.5 0.874722 ] [ 0.499177 0.5 0.750089 ] [ 0 0.5 0.5 ] [ 0.250788 0 0.624582 ] [ 0.500823 0.5 0.249911 ] [ 0.749212 0 0.375418 ] [ 0.5 0 0 ] [ 0.74932 0.5 0.125278 ] [ 0.749884 0 0.624608 ] [ 0.250116 0 0.375392 ] [ 0.249884 0.5 0.624608 ] [ 0.750116 0.5 0.375392 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.19581627 "source-unit" "angstrom" } "b" { "source-value" 5.9475634 "source-unit" "angstrom" } "c" { "source-value" 11.84811278 "source-unit" "angstrom" } "beta" { "source-value" 116.6387509 "source-unit" "degree" } }