{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.758001 0.345051 ] [ 0.75 0.741999 0.845051 ] [ 0.25 0.258001 0.154949 ] [ 0.75 0.241999 0.654949 ] [ 0.25 0.916621 0.604671 ] [ 0.25 0.936364 0.112709 ] [ 0.75 0.563636 0.612709 ] [ 0.75 0.583379 0.104671 ] [ 0.25 0.416621 0.895329 ] [ 0.25 0.436364 0.387291 ] [ 0.75 0.063636 0.887291 ] [ 0.75 0.083379 0.395329 ] [ 0.75 0.970195 0.715845 ] [ 0.25 0.9188 0.929239 ] [ 0.75 0.884231 0.476641 ] [ 0.75 0.796361 0.15864 ] [ 0.25 0.703639 0.65864 ] [ 0.25 0.615769 0.976641 ] [ 0.75 0.5812 0.429239 ] [ 0.25 0.529805 0.215845 ] [ 0.75 0.470195 0.784155 ] [ 0.25 0.4188 0.570761 ] [ 0.75 0.384231 0.023359 ] [ 0.75 0.296361 0.34136 ] [ 0.25 0.203639 0.84136 ] [ 0.25 0.115769 0.523359 ] [ 0.75 0.0812 0.070761 ] [ 0.25 0.029805 0.284155 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "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" 3.00851063 "source-unit" "angstrom" } "b" { "source-value" 9.25103189 "source-unit" "angstrom" } "c" { "source-value" 10.76849397 "source-unit" "angstrom" } }