{ "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" [ [ 0.75 0.080472 0.101046 ] [ 0.75 0.419528 0.601046 ] [ 0.25 0.580472 0.398954 ] [ 0.25 0.919528 0.898954 ] [ 0.25 0.402376 0.074349 ] [ 0.75 0.620508 0.208485 ] [ 0.75 0.879492 0.708485 ] [ 0.25 0.120508 0.291515 ] [ 0.75 0.597624 0.925651 ] [ 0.75 0.902376 0.425651 ] [ 0.25 0.097624 0.574349 ] [ 0.25 0.379492 0.791515 ] [ 0.25 0.808568 0.152171 ] [ 0.75 0.191432 0.847829 ] [ 0.75 0.308568 0.347829 ] [ 0.25 0.691432 0.652171 ] [ 0.25 0.41809 0.603889 ] [ 0.75 0.58191 0.396111 ] [ 0.75 0.91809 0.896111 ] [ 0.25 0.08191 0.103889 ] [ 0.998609 0.865055 0.275236 ] [ 0.498609 0.134945 0.724764 ] [ 0.001391 0.365055 0.224764 ] [ 0.501391 0.634945 0.775236 ] [ 0.001391 0.134945 0.724764 ] [ 0.501391 0.865055 0.275236 ] [ 0.998609 0.634945 0.775236 ] [ 0.498609 0.365055 0.224764 ] [ 0.499394 0.663215 0.065856 ] [ 0.999394 0.336785 0.934144 ] [ 0.500606 0.163215 0.434144 ] [ 0.000606 0.836785 0.565856 ] [ 0.999394 0.163215 0.434144 ] [ 0.499394 0.836785 0.565856 ] [ 0.500606 0.336785 0.934144 ] [ 0.000606 0.663215 0.065856 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "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" 5.67057317 "source-unit" "angstrom" } "b" { "source-value" 7.00706263 "source-unit" "angstrom" } "c" { "source-value" 12.16111186 "source-unit" "angstrom" } }