{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.209504 0 ] [ 0.5 0.790496 0 ] [ 0.5 0.067152 0.5 ] [ 0.5 0.932848 0.5 ] [ 0 0.130591 0 ] [ 0 0.869409 0 ] [ 0 0 0 ] [ 0 0.709504 0 ] [ 0 0.290496 0 ] [ 0 0.567152 0.5 ] [ 0 0.432848 0.5 ] [ 0.5 0.630591 0 ] [ 0.5 0.369409 0 ] [ 0.5 0.5 0 ] [ 0.5 0.152476 0.5 ] [ 0.5 0.847524 0.5 ] [ 0 0.763451 0.5 ] [ 0 0.236549 0.5 ] [ 0 0.181595 0.5 ] [ 0 0.818405 0.5 ] [ 0 0.652476 0.5 ] [ 0 0.347524 0.5 ] [ 0.5 0.263451 0.5 ] [ 0.5 0.736549 0.5 ] [ 0.5 0.681595 0.5 ] [ 0.5 0.318405 0.5 ] [ 0 0.066122 0 ] [ 0.5 0 0.5 ] [ 0 0.933878 0 ] [ 0.5 0.566122 0 ] [ 0 0.5 0.5 ] [ 0.5 0.433878 0 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.1488448053 "source-unit" "angstrom" } "b" { "source-value" 33.3769692421 "source-unit" "angstrom" } "c" { "source-value" 3.26336617 "source-unit" "angstrom" } }