{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.144459 0.849603 ] [ 0.5 0.355541 0.349603 ] [ 0.5 0.644459 0.650397 ] [ 0.5 0.855541 0.150397 ] [ 0 0.189037 0.592962 ] [ 0 0.310963 0.092962 ] [ 0 0.689037 0.907038 ] [ 0 0.810963 0.407038 ] [ 0 0 0 ] [ 0 0.099202 0.30094 ] [ 0.5 0.234058 0.602466 ] [ 0.5 0.265942 0.102466 ] [ 0 0.400798 0.80094 ] [ 0 0.5 0.5 ] [ 0 0.599202 0.19906 ] [ 0.5 0.734058 0.897534 ] [ 0.5 0.765942 0.397534 ] [ 0 0.900798 0.69906 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "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" 3.76661391 "source-unit" "angstrom" } "b" { "source-value" 5.78979821 "source-unit" "angstrom" } "c" { "source-value" 9.89187108 "source-unit" "angstrom" } }