{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.012597 0.95406 0.25 ] [ 0.512597 0.54594 0.75 ] [ 0.487403 0.45406 0.25 ] [ 0.987403 0.04594 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.201388 0.201665 0.057644 ] [ 0.701388 0.298335 0.942356 ] [ 0.298612 0.701665 0.442356 ] [ 0.798612 0.798335 0.557644 ] [ 0.798612 0.798335 0.942356 ] [ 0.298612 0.701665 0.057644 ] [ 0.701388 0.298335 0.557644 ] [ 0.201388 0.201665 0.442356 ] [ 0.607034 0.046519 0.25 ] [ 0.107034 0.453481 0.75 ] [ 0.892966 0.546519 0.25 ] [ 0.392966 0.953481 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ce" "Ce" "Ce" "Ce" "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" 6.04614684 "source-unit" "angstrom" } "b" { "source-value" 6.20976364 "source-unit" "angstrom" } "c" { "source-value" 8.66047567 "source-unit" "angstrom" } }