{ "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 0.059351 0.325789 ] [ 0.5 0.440649 0.825789 ] [ 0.5 0.559351 0.174211 ] [ 0.5 0.940649 0.674211 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.162769 0.785777 ] [ 0.5 0.251676 0.038732 ] [ 0.5 0.248324 0.538732 ] [ 0 0.337231 0.285777 ] [ 0 0.662769 0.714223 ] [ 0.5 0.751676 0.461268 ] [ 0.5 0.748324 0.961268 ] [ 0 0.837231 0.214223 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pr" "Pr" "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" 3.62090824 "source-unit" "angstrom" } "b" { "source-value" 5.96481539 "source-unit" "angstrom" } "c" { "source-value" 9.97998723 "source-unit" "angstrom" } }