{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.00535 0.379404 ] [ 0.75 0.99465 0.620596 ] [ 0.75 0.50535 0.120596 ] [ 0.25 0.49465 0.879404 ] [ 0.25 0.875473 0.058 ] [ 0.75 0.124527 0.942 ] [ 0.75 0.375473 0.442 ] [ 0.25 0.624527 0.558 ] [ 0.25 0.590033 0.265066 ] [ 0.75 0.409967 0.734934 ] [ 0.75 0.090033 0.234934 ] [ 0.25 0.909967 0.765066 ] [ 0.25 0.275196 0.151415 ] [ 0.75 0.724804 0.848585 ] [ 0.75 0.775196 0.348585 ] [ 0.25 0.224804 0.651415 ] [ 0.25 0.51533 0.120822 ] [ 0.75 0.48467 0.879178 ] [ 0.75 0.01533 0.379178 ] [ 0.25 0.98467 0.620822 ] [ 0.991955 0.160337 0.150216 ] [ 0.491955 0.839663 0.849784 ] [ 0.008045 0.660337 0.349784 ] [ 0.508045 0.339663 0.650216 ] [ 0.008045 0.839663 0.849784 ] [ 0.508045 0.160337 0.150216 ] [ 0.991955 0.339663 0.650216 ] [ 0.491955 0.660337 0.349784 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 6.1745431 "source-unit" "angstrom" } "b" { "source-value" 7.92422744 "source-unit" "angstrom" } "c" { "source-value" 12.06011067 "source-unit" "angstrom" } }