{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.487094 0.642779 0.365142 ] [ 0.512906 0.357221 0.634858 ] [ 0.815693 0.904076 0.834987 ] [ 0.917425 0.195702 0.011865 ] [ 0.082575 0.804298 0.988135 ] [ 0.184307 0.095924 0.165013 ] [ 0.543461 0.172524 0.810517 ] [ 0.614085 0.483225 0.170505 ] [ 0.182051 0.199305 0.574944 ] [ 0.852382 0.522225 0.715335 ] [ 0.385915 0.516775 0.829495 ] [ 0.656999 0.201878 0.454061 ] [ 0.147618 0.477775 0.284665 ] [ 0.343001 0.798122 0.545939 ] [ 0.817949 0.800695 0.425056 ] [ 0.456539 0.827476 0.189483 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86361617209 "source-unit" "angstrom" } "b" { "source-value" 8.71683526035 "source-unit" "angstrom" } "c" { "source-value" 9.23611635397 "source-unit" "angstrom" } "alpha" { "source-value" 99.1976675508 "source-unit" "degree" } "beta" { "source-value" 88.9338681581 "source-unit" "degree" } "gamma" { "source-value" 105.240815513 "source-unit" "degree" } }