{ "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" [ [ 0.008328 0.964364 0.75 ] [ 0.508328 0.535636 0.25 ] [ 0.491672 0.464364 0.75 ] [ 0.991672 0.035636 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.70532 0.28967 0.452312 ] [ 0.20532 0.21033 0.547688 ] [ 0.79468 0.78967 0.047688 ] [ 0.29468 0.71033 0.952312 ] [ 0.29468 0.71033 0.547688 ] [ 0.79468 0.78967 0.452312 ] [ 0.20532 0.21033 0.952312 ] [ 0.70532 0.28967 0.047688 ] [ 0.090091 0.470893 0.25 ] [ 0.590091 0.029107 0.75 ] [ 0.409909 0.970893 0.25 ] [ 0.909909 0.529107 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Ge" "Ge" "Ge" "Ge" "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" 5.31191267 "source-unit" "angstrom" } "b" { "source-value" 5.36356002 "source-unit" "angstrom" } "c" { "source-value" 7.58068118 "source-unit" "angstrom" } }