{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.308951 0.452409 0.700416 ] [ 0.691049 0.952409 0.799584 ] [ 0.691049 0.547591 0.299584 ] [ 0.308951 0.047591 0.200416 ] [ 0.93811 0.161973 0.460912 ] [ 0.06189 0.838027 0.539088 ] [ 0.93811 0.338027 0.960912 ] [ 0.06189 0.661973 0.039088 ] [ 0.58714 0.275413 0.999779 ] [ 0.58714 0.224587 0.499779 ] [ 0.41286 0.775413 0.500221 ] [ 0.41286 0.724587 0.000221 ] [ 0.099499 0.387573 0.283936 ] [ 0.900501 0.887573 0.216064 ] [ 0.900501 0.612427 0.716064 ] [ 0.099499 0.112427 0.783936 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.69560434623 "source-unit" "angstrom" } "b" { "source-value" 7.51159524 "source-unit" "angstrom" } "c" { "source-value" 7.24446494168 "source-unit" "angstrom" } "beta" { "source-value" 96.881791528 "source-unit" "degree" } }