{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.5 0.385402 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0 0.114598 ] [ 0.25 0 0.885402 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.5 0.614598 ] [ 0.25 0.251036 0.015402 ] [ 0.75 0.248964 0.515402 ] [ 0.014549 0.5 0.253997 ] [ 0.485451 0.5 0.253997 ] [ 0.014549 0 0.246003 ] [ 0.75 0.251036 0.984598 ] [ 0.485451 0 0.246003 ] [ 0.25 0.248964 0.484598 ] [ 0.75 0.751036 0.515402 ] [ 0.25 0.748964 0.015402 ] [ 0.514549 0 0.753997 ] [ 0.985451 0 0.753997 ] [ 0.514549 0.5 0.746003 ] [ 0.25 0.751036 0.484598 ] [ 0.985451 0.5 0.746003 ] [ 0.75 0.748964 0.984598 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 5.70980774639 "source-unit" "angstrom" } "b" { "source-value" 5.78445387917 "source-unit" "angstrom" } "c" { "source-value" 8.10907705333 "source-unit" "angstrom" } }