{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.748027 0 0.221551 ] [ 0.234428 0 0.226581 ] [ 0.991102 0.764464 0.223939 ] [ 0.251973 0 0.778449 ] [ 0.991102 0.235536 0.223939 ] [ 0.765572 0 0.773419 ] [ 0.008898 0.235536 0.776061 ] [ 0.008898 0.764464 0.776061 ] [ 0.248027 0.5 0.221551 ] [ 0.734428 0.5 0.226581 ] [ 0.491102 0.264464 0.223939 ] [ 0.751973 0.5 0.778449 ] [ 0.491102 0.735536 0.223939 ] [ 0.265572 0.5 0.773419 ] [ 0.508898 0.735536 0.776061 ] [ 0.508898 0.264464 0.776061 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "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" 10.53151993 "source-unit" "angstrom" } "b" { "source-value" 6.10583446 "source-unit" "angstrom" } "c" { "source-value" 6.1317889 "source-unit" "angstrom" } "beta" { "source-value" 125.20411948 "source-unit" "degree" } }