{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.385153 0.164094 ] [ 0 0.614847 0.835906 ] [ 0 0.885153 0.335906 ] [ 0 0.114847 0.664094 ] [ 0.5 0.37958 0.664009 ] [ 0.5 0.62042 0.335991 ] [ 0.5 0.87958 0.835991 ] [ 0.5 0.12042 0.164009 ] [ 0.731649 0.625888 0.57684 ] [ 0.731649 0.374112 0.42316 ] [ 0.268351 0.125888 0.92316 ] [ 0.268351 0.874112 0.07684 ] [ 0.268351 0.374112 0.42316 ] [ 0.268351 0.625888 0.57684 ] [ 0.731649 0.874112 0.07684 ] [ 0.731649 0.125888 0.92316 ] [ 0.745559 0.504055 0.752824 ] [ 0.745559 0.495945 0.247176 ] [ 0.254441 0.004055 0.747176 ] [ 0.254441 0.995945 0.252824 ] [ 0.254441 0.495945 0.247176 ] [ 0.254441 0.504055 0.752824 ] [ 0.745559 0.995945 0.252824 ] [ 0.745559 0.004055 0.747176 ] [ 0.256046 0.737283 0.914529 ] [ 0.256046 0.262717 0.085471 ] [ 0.743954 0.237283 0.585471 ] [ 0.743954 0.762717 0.414529 ] [ 0.743954 0.262717 0.085471 ] [ 0.743954 0.737283 0.914529 ] [ 0.256046 0.762717 0.414529 ] [ 0.256046 0.237283 0.585471 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0 0.235088 0.820313 ] [ 0 0.764912 0.179687 ] [ 0 0.735088 0.679687 ] [ 0 0.264912 0.320313 ] [ 0.5 0.234349 0.349537 ] [ 0.5 0.765651 0.650463 ] [ 0.5 0.734349 0.150463 ] [ 0.5 0.265651 0.849537 ] [ 0 0 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Eu" "Eu" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.02347488 "source-unit" "angstrom" } "b" { "source-value" 9.32952663 "source-unit" "angstrom" } "c" { "source-value" 10.41730795 "source-unit" "angstrom" } }