{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.340436 0 0.5 ] [ 0 0.340436 0.5 ] [ 0.659564 0.659564 0 ] [ 0.340436 0 0 ] [ 0.659564 0.659564 0.5 ] [ 0 0.340436 0 ] [ 0.708385 0.033233 0.25 ] [ 0.675152 0.966767 0.75 ] [ 0.966767 0.675152 0.25 ] [ 0.324848 0.291615 0.25 ] [ 0.291615 0.324848 0.75 ] [ 0.033233 0.708385 0.75 ] [ 0.211388 0.891548 0.75 ] [ 0.38209 0.327219 0.63555 ] [ 0.05487 0.672781 0.13555 ] [ 0.108452 0.319839 0.75 ] [ 0.61791 0.94513 0.36445 ] [ 0.38209 0.327219 0.86445 ] [ 0.94513 0.61791 0.63555 ] [ 0.672781 0.05487 0.63555 ] [ 0.327219 0.38209 0.36445 ] [ 0.319839 0.108452 0.25 ] [ 0.680161 0.788612 0.75 ] [ 0.327219 0.38209 0.13555 ] [ 0.672781 0.05487 0.86445 ] [ 0.788612 0.680161 0.25 ] [ 0.94513 0.61791 0.86445 ] [ 0.891548 0.211388 0.25 ] [ 0.05487 0.672781 0.36445 ] [ 0.61791 0.94513 0.13555 ] [ 0.333333 0.666667 0.5491 ] [ 0.666667 0.333333 0.4509 ] [ 0.666667 0.333333 0.0491 ] [ 0.333333 0.666667 0.9509 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.16109252588 "source-unit" "angstrom" } "c" { "source-value" 9.86131688 "source-unit" "angstrom" } }