{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.279311 0.396777 ] [ 0.75 0.779311 0.103223 ] [ 0.25 0.220689 0.896777 ] [ 0.25 0.720689 0.603223 ] [ 0.75 0.27426 0.660461 ] [ 0.75 0.77426 0.839539 ] [ 0.25 0.72574 0.339539 ] [ 0.25 0.22574 0.160461 ] [ 0.25 0.489448 0.399574 ] [ 0.25 0.989448 0.100426 ] [ 0.75 0.510552 0.600426 ] [ 0.75 0.010552 0.899574 ] [ 0.47832 0.347768 0.084129 ] [ 0.97832 0.152232 0.584129 ] [ 0.52168 0.152232 0.584129 ] [ 0.981633 0.397893 0.737525 ] [ 0.02168 0.347768 0.084129 ] [ 0.518367 0.897893 0.762475 ] [ 0.47832 0.847768 0.415871 ] [ 0.481633 0.102107 0.237525 ] [ 0.52168 0.652232 0.915871 ] [ 0.018367 0.102107 0.237525 ] [ 0.02168 0.847768 0.415871 ] [ 0.018367 0.602107 0.262475 ] [ 0.981633 0.897893 0.762475 ] [ 0.518367 0.397893 0.737525 ] [ 0.97832 0.652232 0.915871 ] [ 0.481633 0.602107 0.262475 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "I" "I" "I" "I" "O" "O" "O" "O" "F" "F" "F" "F" "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" 6.15364083 "source-unit" "angstrom" } "b" { "source-value" 6.33031881 "source-unit" "angstrom" } "c" { "source-value" 15.79925404 "source-unit" "angstrom" } }