{ "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" [ [ 0.024067 0.923373 0.75 ] [ 0.475933 0.423373 0.75 ] [ 0.524067 0.576627 0.25 ] [ 0.975933 0.076627 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.127245 0.452522 0.25 ] [ 0.182097 0.187857 0.564333 ] [ 0.182097 0.187857 0.935667 ] [ 0.317903 0.687857 0.564333 ] [ 0.317903 0.687857 0.935667 ] [ 0.372755 0.952522 0.25 ] [ 0.627245 0.047478 0.75 ] [ 0.682097 0.312143 0.064333 ] [ 0.682097 0.312143 0.435667 ] [ 0.817903 0.812143 0.064333 ] [ 0.817903 0.812143 0.435667 ] [ 0.872755 0.547478 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "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" 5.31928408 "source-unit" "angstrom" } "b" { "source-value" 5.71972727 "source-unit" "angstrom" } "c" { "source-value" 7.6709998 "source-unit" "angstrom" } }