{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.412522 0.751476 ] [ 0.25 0.912522 0.248524 ] [ 0.75 0.587478 0.248524 ] [ 0.75 0.087478 0.751476 ] [ 0 0.75 0.95489 ] [ 0 0.25 0.04511 ] [ 0.5 0.75 0.95489 ] [ 0.5 0.25 0.04511 ] [ 0.5 0.75 0.690998 ] [ 0.75 0.437245 0.577425 ] [ 0.75 0.465932 0.910442 ] [ 0 0.75 0.690998 ] [ 0 0.25 0.309002 ] [ 0.25 0.534068 0.089558 ] [ 0.25 0.562755 0.422575 ] [ 0.25 0.034068 0.910442 ] [ 0.25 0.062755 0.577425 ] [ 0.5 0.25 0.309002 ] [ 0.75 0.937245 0.422575 ] [ 0.75 0.965932 0.089558 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "V" "V" "V" "V" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.22842638 "source-unit" "angstrom" } "b" { "source-value" 7.9122484 "source-unit" "angstrom" } "c" { "source-value" 10.24615713 "source-unit" "angstrom" } }