{ "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 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.351426 0.25 ] [ 0 0.648574 0.75 ] [ 0.5 0.851426 0.25 ] [ 0.5 0.148574 0.75 ] [ 0 0.772369 0.537061 ] [ 0.758317 0.026977 0.75 ] [ 0.241683 0.026977 0.75 ] [ 0.241683 0.973023 0.25 ] [ 0 0.772369 0.962939 ] [ 0 0.227631 0.037061 ] [ 0.758317 0.973023 0.25 ] [ 0 0.227631 0.462939 ] [ 0.5 0.272369 0.537061 ] [ 0.258317 0.526977 0.75 ] [ 0.741683 0.526977 0.75 ] [ 0.741683 0.473023 0.25 ] [ 0.5 0.272369 0.962939 ] [ 0.5 0.727631 0.037061 ] [ 0.258317 0.473023 0.25 ] [ 0.5 0.727631 0.462939 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "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" 5.67609186186 "source-unit" "angstrom" } "b" { "source-value" 8.3030746846 "source-unit" "angstrom" } "c" { "source-value" 6.45702741 "source-unit" "angstrom" } }