{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.230664 0.25 ] [ 0 0.769336 0.75 ] [ 0.5 0.304642 0.75 ] [ 0.5 0.695358 0.25 ] [ 0.26705 0.432887 0.999392 ] [ 0.73295 0.432887 0.500608 ] [ 0.73295 0.567113 0.000608 ] [ 0.26705 0.567113 0.499392 ] [ 0.752997 0.915782 0.403876 ] [ 0.247003 0.915782 0.096124 ] [ 0.247003 0.084218 0.596124 ] [ 0.752997 0.084218 0.903876 ] ] } "species" { "source-value" [ "Tm" "Tm" "Ta" "Ta" "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" 5.10296434847 "source-unit" "angstrom" } "b" { "source-value" 5.48378724 "source-unit" "angstrom" } "c" { "source-value" 5.28599491093 "source-unit" "angstrom" } "beta" { "source-value" 96.1801545277 "source-unit" "degree" } }