{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.697405 0.895655 0.386441 ] [ 0.302595 0.895655 0.386441 ] [ 0.302595 0.104345 0.886441 ] [ 0.697405 0.104345 0.886441 ] [ 0.197405 0.395655 0.386441 ] [ 0.802595 0.395655 0.386441 ] [ 0.802595 0.604345 0.886441 ] [ 0.197405 0.604345 0.886441 ] [ 0 0.093548 0.391991 ] [ 0 0.906452 0.891991 ] [ 0.5 0.593548 0.391991 ] [ 0.5 0.406452 0.891991 ] [ 0 0.683423 0.346227 ] [ 0 0.316577 0.846227 ] [ 0.5 0.183423 0.346227 ] [ 0.5 0.816577 0.846227 ] [ 0.845815 0.997487 0.6323 ] [ 0.160421 0.74684 0.235975 ] [ 0.845815 0.002513 0.1323 ] [ 0.154185 0.997487 0.6323 ] [ 0.154185 0.002513 0.1323 ] [ 0 0.443296 0.70247 ] [ 0 0.680306 0.66129 ] [ 0.839579 0.25316 0.735975 ] [ 0.160421 0.25316 0.735975 ] [ 0 0.556704 0.20247 ] [ 0 0.319694 0.16129 ] [ 0.839579 0.74684 0.235975 ] [ 0.345815 0.497487 0.6323 ] [ 0.660421 0.24684 0.235975 ] [ 0.345815 0.502513 0.1323 ] [ 0.654185 0.497487 0.6323 ] [ 0.654185 0.502513 0.1323 ] [ 0.5 0.943296 0.70247 ] [ 0.5 0.180306 0.66129 ] [ 0.339579 0.75316 0.735975 ] [ 0.660421 0.75316 0.735975 ] [ 0.5 0.056704 0.20247 ] [ 0.5 0.819694 0.16129 ] [ 0.339579 0.24684 0.235975 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Bi" "Bi" "Bi" "Bi" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.83773031238 "source-unit" "angstrom" } "b" { "source-value" 12.1931860492 "source-unit" "angstrom" } "c" { "source-value" 5.52824657 "source-unit" "angstrom" } }