{ "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 0 0 ] [ 0 0.5 0 ] [ 0.527406 0.25 0.221692 ] [ 0.027406 0.75 0.278308 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.972594 0.25 0.721692 ] [ 0.472594 0.75 0.778308 ] [ 0.576254 0.75 0.090021 ] [ 0.076254 0.25 0.409979 ] [ 0.923746 0.75 0.590021 ] [ 0.423746 0.25 0.909979 ] [ 0.248424 0.25 0.063544 ] [ 0.228535 0.75 0.094791 ] [ 0.750622 0.979283 0.149881 ] [ 0.750622 0.520717 0.149881 ] [ 0.250622 0.479283 0.350119 ] [ 0.250622 0.020717 0.350119 ] [ 0.728535 0.25 0.405209 ] [ 0.748424 0.75 0.436456 ] [ 0.251576 0.25 0.563544 ] [ 0.271465 0.75 0.594791 ] [ 0.749378 0.979283 0.649881 ] [ 0.749378 0.520717 0.649881 ] [ 0.249378 0.479283 0.850119 ] [ 0.249378 0.020717 0.850119 ] [ 0.771465 0.25 0.905209 ] [ 0.751576 0.75 0.936456 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 4.96629573 "source-unit" "angstrom" } "b" { "source-value" 6.28723202 "source-unit" "angstrom" } "c" { "source-value" 10.42931653 "source-unit" "angstrom" } }