{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.220731 0.56348 0.131418 ] [ 0.06348 0.368582 0.779269 ] [ 0.131418 0.779269 0.93652 ] [ 0.720731 0.93652 0.868582 ] [ 0.93652 0.868582 0.720731 ] [ 0.868582 0.720731 0.93652 ] [ 0.970731 0.881418 0.31348 ] [ 0.029269 0.618582 0.31348 ] [ 0.970731 0.118582 0.18652 ] [ 0.368582 0.779269 0.06348 ] [ 0.131418 0.220731 0.56348 ] [ 0.56348 0.131418 0.220731 ] [ 0.93652 0.131418 0.779269 ] [ 0.779269 0.93652 0.131418 ] [ 0.779269 0.06348 0.368582 ] [ 0.881418 0.68652 0.529269 ] [ 0.31348 0.029269 0.618582 ] [ 0.881418 0.31348 0.970731 ] [ 0.68652 0.529269 0.881418 ] [ 0.618582 0.31348 0.029269 ] [ 0.31348 0.970731 0.881418 ] [ 0.18652 0.970731 0.118582 ] [ 0.118582 0.18652 0.970731 ] [ 0.529269 0.881418 0.68652 ] [ 0.720731 0.06348 0.631418 ] [ 0.56348 0.868582 0.279269 ] [ 0.631418 0.279269 0.43652 ] [ 0.220731 0.43652 0.368582 ] [ 0.43652 0.368582 0.220731 ] [ 0.368582 0.220731 0.43652 ] [ 0.470731 0.381418 0.81348 ] [ 0.529269 0.118582 0.81348 ] [ 0.470731 0.618582 0.68652 ] [ 0.868582 0.279269 0.56348 ] [ 0.631418 0.720731 0.06348 ] [ 0.06348 0.631418 0.720731 ] [ 0.43652 0.631418 0.279269 ] [ 0.279269 0.43652 0.631418 ] [ 0.279269 0.56348 0.868582 ] [ 0.381418 0.18652 0.029269 ] [ 0.81348 0.529269 0.118582 ] [ 0.381418 0.81348 0.470731 ] [ 0.18652 0.029269 0.381418 ] [ 0.118582 0.81348 0.529269 ] [ 0.81348 0.470731 0.381418 ] [ 0.68652 0.470731 0.618582 ] [ 0.618582 0.68652 0.470731 ] [ 0.029269 0.381418 0.18652 ] [ 0.218628 0.218628 0.218628 ] [ 0.968628 0.031372 0.531372 ] [ 0.031372 0.531372 0.968628 ] [ 0.531372 0.968628 0.031372 ] [ 0.281372 0.781372 0.718628 ] [ 0.781372 0.718628 0.281372 ] [ 0.718628 0.281372 0.781372 ] [ 0.968628 0.968628 0.968628 ] [ 0.718628 0.718628 0.718628 ] [ 0.468628 0.531372 0.031372 ] [ 0.531372 0.031372 0.468628 ] [ 0.031372 0.468628 0.531372 ] [ 0.781372 0.281372 0.218628 ] [ 0.281372 0.218628 0.781372 ] [ 0.218628 0.781372 0.281372 ] [ 0.468628 0.468628 0.468628 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "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" 9.6470438876 "source-unit" "angstrom" } }