{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.964514 0 0.75 ] [ 0.035486 0 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.464514 0.5 0.75 ] [ 0.535486 0.5 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.334216 0 0.25 ] [ 0.665784 0 0.75 ] [ 0.834216 0.5 0.25 ] [ 0.165784 0.5 0.75 ] [ 0 0.203435 0 ] [ 0 0.203435 0.5 ] [ 0.281455 0 0.75 ] [ 0.718545 0 0.25 ] [ 0 0.796565 0 ] [ 0 0.796565 0.5 ] [ 0.5 0.703435 0 ] [ 0.5 0.703435 0.5 ] [ 0.781455 0.5 0.75 ] [ 0.218545 0.5 0.25 ] [ 0.5 0.296565 0 ] [ 0.5 0.296565 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75614555 "source-unit" "angstrom" } "b" { "source-value" 7.01001589 "source-unit" "angstrom" } "c" { "source-value" 6.34776758 "source-unit" "angstrom" } }