{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.711116 0.141236 ] [ 0 0.288884 0.141236 ] [ 0.5 0.75335 0.117785 ] [ 0.5 0.24665 0.117785 ] [ 0.735049 0 0.377013 ] [ 0.264951 0 0.377013 ] [ 0.283909 0 0.857332 ] [ 0.716091 0 0.857332 ] [ 0 0.211116 0.641236 ] [ 0 0.788884 0.641236 ] [ 0.5 0.25335 0.617785 ] [ 0.5 0.74665 0.617785 ] [ 0.735049 0.5 0.877013 ] [ 0.264951 0.5 0.877013 ] [ 0.283909 0.5 0.357332 ] [ 0.716091 0.5 0.357332 ] [ 0 0 0.013267 ] [ 0 0.5 0.513267 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 5.36333518 "source-unit" "angstrom" } "b" { "source-value" 5.51527166 "source-unit" "angstrom" } "c" { "source-value" 7.30052044 "source-unit" "angstrom" } }