{ "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" [ [ 0.999022 0 0.344596 ] [ 0.682366 0 0.286008 ] [ 0.654814 0 0.655192 ] [ 0.396533 0 0.711873 ] [ 0.001448 0 0.001545 ] [ 0.958275 0.641504 0.000606 ] [ 0.054382 0.656811 0.395819 ] [ 0.158517 0.158003 0.601423 ] [ 0.173102 0.171664 0.001041 ] [ 0.985053 0.698725 0.684268 ] [ 0.800838 0.199205 0.316277 ] [ 0.800838 0.800795 0.316277 ] [ 0.985053 0.301275 0.684268 ] [ 0.173102 0.828336 0.001041 ] [ 0.158517 0.841997 0.601423 ] [ 0.054382 0.343189 0.395819 ] [ 0.958275 0.358496 0.000606 ] [ 0.499022 0.5 0.344596 ] [ 0.182366 0.5 0.286008 ] [ 0.154814 0.5 0.655192 ] [ 0.896533 0.5 0.711873 ] [ 0.501448 0.5 0.001545 ] [ 0.458275 0.141504 0.000606 ] [ 0.554382 0.156811 0.395819 ] [ 0.658517 0.658003 0.601423 ] [ 0.673102 0.671664 0.001041 ] [ 0.485053 0.198725 0.684268 ] [ 0.300838 0.699205 0.316277 ] [ 0.300838 0.300795 0.316277 ] [ 0.485053 0.801275 0.684268 ] [ 0.673102 0.328336 0.001041 ] [ 0.658517 0.341997 0.601423 ] [ 0.554382 0.843189 0.395819 ] [ 0.458275 0.858496 0.000606 ] [ 0.186769 0 0.819795 ] [ 0.723336 0.09092 0.999555 ] [ 0.274168 0.09205 0.366361 ] [ 0.907727 0.092506 0.633799 ] [ 0.817233 0.182655 0.815641 ] [ 0.002693 0.18266 0.186478 ] [ 0.002693 0.81734 0.186478 ] [ 0.817233 0.817345 0.815641 ] [ 0.907727 0.907494 0.633799 ] [ 0.274168 0.90795 0.366361 ] [ 0.723336 0.90908 0.999555 ] [ 0.686769 0.5 0.819795 ] [ 0.223336 0.59092 0.999555 ] [ 0.774168 0.59205 0.366361 ] [ 0.407727 0.592506 0.633799 ] [ 0.317233 0.682655 0.815641 ] [ 0.502693 0.68266 0.186478 ] [ 0.502693 0.31734 0.186478 ] [ 0.317233 0.317345 0.815641 ] [ 0.407727 0.407494 0.633799 ] [ 0.774168 0.40795 0.366361 ] [ 0.223336 0.40908 0.999555 ] [ 0.368398 0 0.178463 ] [ 0.868398 0.5 0.178463 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ag" "Ag" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.54519272 "source-unit" "angstrom" } "b" { "source-value" 14.79174058 "source-unit" "angstrom" } "c" { "source-value" 9.14300235 "source-unit" "angstrom" } "beta" { "source-value" 125.20309745 "source-unit" "degree" } }