{ "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" [ [ 0.011589 0.953654 0.75 ] [ 0.511589 0.546346 0.25 ] [ 0.488411 0.453654 0.75 ] [ 0.988411 0.046346 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.711956 0.289446 0.455629 ] [ 0.211956 0.210554 0.544371 ] [ 0.788044 0.789446 0.044371 ] [ 0.288044 0.710554 0.955629 ] [ 0.288044 0.710554 0.544371 ] [ 0.788044 0.789446 0.455629 ] [ 0.211956 0.210554 0.955629 ] [ 0.711956 0.289446 0.044371 ] [ 0.082431 0.480477 0.25 ] [ 0.582431 0.019523 0.75 ] [ 0.417569 0.980477 0.25 ] [ 0.917569 0.519523 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Ga" "Ga" "Ga" "Ga" "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" 5.50864068 "source-unit" "angstrom" } "b" { "source-value" 5.60953694 "source-unit" "angstrom" } "c" { "source-value" 7.83722105 "source-unit" "angstrom" } }