{ "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" [ [ 0.853699 0 0.84857 ] [ 0.146301 0 0.15143 ] [ 0 0.5 0.5 ] [ 0.353699 0.5 0.84857 ] [ 0.646301 0.5 0.15143 ] [ 0.5 0 0.5 ] [ 0.809106 0.5 0.072575 ] [ 0.190894 0.5 0.927425 ] [ 0.812075 0.5 0.549916 ] [ 0.187925 0.5 0.450084 ] [ 0.309106 0 0.072575 ] [ 0.690894 0 0.927425 ] [ 0.312075 0 0.549916 ] [ 0.687925 0 0.450084 ] [ 0.674835 0.5 0.675164 ] [ 0.325165 0.5 0.324836 ] [ 0.997763 0.5 0.159426 ] [ 0.002237 0.5 0.840574 ] [ 0.174835 0 0.675164 ] [ 0.825165 0 0.324836 ] [ 0.497763 0 0.159426 ] [ 0.502237 0 0.840574 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.8045394884 "source-unit" "angstrom" } "b" { "source-value" 4.14932539887 "source-unit" "angstrom" } "c" { "source-value" 8.42842003719 "source-unit" "angstrom" } "beta" { "source-value" 122.09170677 "source-unit" "degree" } }