{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.19217 0.910686 0.75 ] [ 0.80783 0.089314 0.25 ] [ 0.80783 0.910686 0.75 ] [ 0.19217 0.089314 0.25 ] [ 0.69217 0.410686 0.75 ] [ 0.30783 0.589314 0.25 ] [ 0.30783 0.410686 0.75 ] [ 0.69217 0.589314 0.25 ] [ 0 0.198034 0.75 ] [ 0 0.801966 0.25 ] [ 0.5 0.698034 0.75 ] [ 0.5 0.301966 0.25 ] [ 0 0.40952 0.25 ] [ 0 0.59048 0.75 ] [ 0.5 0.90952 0.25 ] [ 0.5 0.09048 0.75 ] [ 0.824954 0.276363 0.75 ] [ 0.175046 0.723637 0.25 ] [ 0.824954 0.723637 0.25 ] [ 0.175046 0.276363 0.75 ] [ 0 0.883791 0.990056 ] [ 0 0.116209 0.490056 ] [ 0 0.116209 0.009944 ] [ 0 0.883791 0.509944 ] [ 0.329643 0 0.5 ] [ 0.670357 0 0 ] [ 0.329643 0 0 ] [ 0.670357 0 0.5 ] [ 0.324954 0.776363 0.75 ] [ 0.675046 0.223637 0.25 ] [ 0.324954 0.223637 0.25 ] [ 0.675046 0.776363 0.75 ] [ 0.5 0.383791 0.990056 ] [ 0.5 0.616209 0.490056 ] [ 0.5 0.616209 0.009944 ] [ 0.5 0.383791 0.509944 ] [ 0.829643 0.5 0.5 ] [ 0.170357 0.5 0 ] [ 0.829643 0.5 0 ] [ 0.170357 0.5 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "V" "V" "V" "V" "Bi" "Bi" "Bi" "Bi" "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" 8.02128776398 "source-unit" "angstrom" } "b" { "source-value" 12.5513524645 "source-unit" "angstrom" } "c" { "source-value" 5.52257078 "source-unit" "angstrom" } }