{ "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" [ [ 0.987887 0.947208 0.748086 ] [ 0.490051 0.550696 0.251951 ] [ 0.509949 0.449304 0.748049 ] [ 0.012113 0.052792 0.251914 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.607151 0.96142 0.250976 ] [ 0.193317 0.78812 0.44653 ] [ 0.192936 0.803418 0.056376 ] [ 0.693467 0.69498 0.942825 ] [ 0.707333 0.696598 0.551432 ] [ 0.099577 0.535607 0.742428 ] [ 0.900423 0.464393 0.257572 ] [ 0.292667 0.303402 0.448568 ] [ 0.306533 0.30502 0.057175 ] [ 0.807064 0.196582 0.943624 ] [ 0.806683 0.21188 0.55347 ] [ 0.392849 0.03858 0.749024 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zr" "Zr" "Zr" "Ta" "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" 5.62978957 "source-unit" "angstrom" } "b" { "source-value" 5.79975151 "source-unit" "angstrom" } "c" { "source-value" 8.06478303 "source-unit" "angstrom" } "alpha" { "source-value" 90.45980238 "source-unit" "degree" } "beta" { "source-value" 90.04461306 "source-unit" "degree" } "gamma" { "source-value" 90.11294054 "source-unit" "degree" } }