{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.682561 0 0.506547 ] [ 0.829663 0 0.203782 ] [ 0.348078 0 0.972455 ] [ 0.914737 0.254173 0.714605 ] [ 0.914737 0.745827 0.714605 ] [ 0.182561 0.5 0.506547 ] [ 0.329663 0.5 0.203782 ] [ 0.848078 0.5 0.972455 ] [ 0.414737 0.754173 0.714605 ] [ 0.414737 0.245827 0.714605 ] [ 0.080834 0.252819 0.210721 ] [ 0.080834 0.747181 0.210721 ] [ 0.16356 0 0.711421 ] [ 0.580834 0.752819 0.210721 ] [ 0.580834 0.247181 0.210721 ] [ 0.66356 0.5 0.711421 ] [ 0.080125 0.2462 0.606128 ] [ 0.512083 0 0.338763 ] [ 0.65284 0 0.085071 ] [ 0.004904 0 0.324295 ] [ 0.998107 0 0.818739 ] [ 0.080125 0.7538 0.606128 ] [ 0.731716 0.775408 0.334095 ] [ 0.731716 0.224592 0.334095 ] [ 0.16329 0 0.095582 ] [ 0.836176 0 0.610814 ] [ 0.26809 0.786835 0.84412 ] [ 0.26809 0.213165 0.84412 ] [ 0.332442 0 0.603583 ] [ 0.921899 0.252852 0.097701 ] [ 0.477248 0 0.831562 ] [ 0.921899 0.747148 0.097701 ] [ 0.580125 0.7462 0.606128 ] [ 0.012083 0.5 0.338763 ] [ 0.15284 0.5 0.085071 ] [ 0.504904 0.5 0.324295 ] [ 0.498107 0.5 0.818739 ] [ 0.580125 0.2538 0.606128 ] [ 0.231716 0.275408 0.334095 ] [ 0.231716 0.724592 0.334095 ] [ 0.66329 0.5 0.095582 ] [ 0.336176 0.5 0.610814 ] [ 0.76809 0.286835 0.84412 ] [ 0.76809 0.713165 0.84412 ] [ 0.832442 0.5 0.603583 ] [ 0.421899 0.752852 0.097701 ] [ 0.977248 0.5 0.831562 ] [ 0.421899 0.247148 0.097701 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.30149085 "source-unit" "angstrom" } "b" { "source-value" 5.97582042 "source-unit" "angstrom" } "c" { "source-value" 8.95469731 "source-unit" "angstrom" } "beta" { "source-value" 90.88837433 "source-unit" "degree" } }