{ "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 0 0 ] [ 0.327549 0.149227 0.505069 ] [ 0.672451 0.850773 0.494931 ] [ 0.143178 0.571032 0.718816 ] [ 0.856822 0.428968 0.281184 ] [ 0.911797 0.149174 0.341331 ] [ 0.274788 0.635471 0.908669 ] [ 0.725212 0.364529 0.091331 ] [ 0.595369 0.444858 0.351361 ] [ 0.088203 0.850826 0.658669 ] [ 0.797624 0.243541 0.659678 ] [ 0.202376 0.756459 0.340322 ] [ 0.404631 0.555142 0.648639 ] ] } "species" { "source-value" [ "Ba" "Co" "Co" "P" "P" "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" 4.76793179034 "source-unit" "angstrom" } "b" { "source-value" 4.87179350776 "source-unit" "angstrom" } "c" { "source-value" 8.5175720986 "source-unit" "angstrom" } "alpha" { "source-value" 90.4085400472 "source-unit" "degree" } "beta" { "source-value" 106.114609972 "source-unit" "degree" } "gamma" { "source-value" 119.224243545 "source-unit" "degree" } }