{ "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" [ [ 0.962005 0.5 0.299318 ] [ 0.80489 0 0.706532 ] [ 0.19511 0 0.293468 ] [ 0.862958 0.5 0.997025 ] [ 0.037995 0.5 0.700682 ] [ 0.137042 0.5 0.002975 ] [ 0.462005 0 0.299318 ] [ 0.30489 0.5 0.706532 ] [ 0.69511 0.5 0.293468 ] [ 0.362958 0 0.997025 ] [ 0.537995 0 0.700682 ] [ 0.637042 0 0.002975 ] [ 0.169705 0 0.611185 ] [ 0.830295 0 0.388815 ] [ 0.669705 0.5 0.611185 ] [ 0.330295 0.5 0.388815 ] [ 0.840394 0.5 0.518573 ] [ 0.182571 0 0.824494 ] [ 0.98898 0 0.881449 ] [ 0.817429 0 0.175506 ] [ 0 0 0.5 ] [ 0.01102 0 0.118551 ] [ 0.159606 0.5 0.481427 ] [ 0.340394 0 0.518573 ] [ 0.682571 0.5 0.824494 ] [ 0.48898 0.5 0.881449 ] [ 0.317429 0.5 0.175506 ] [ 0.5 0.5 0.5 ] [ 0.51102 0.5 0.118551 ] [ 0.659606 0 0.481427 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 14.3606926411 "source-unit" "angstrom" } "b" { "source-value" 4.57777006 "source-unit" "angstrom" } "c" { "source-value" 12.4250023416 "source-unit" "angstrom" } "beta" { "source-value" 93.9452834502 "source-unit" "degree" } }