{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.257739 0.75 0.223706 ] [ 0.742261 0.25 0.776294 ] [ 0.948894 0.25 0.356858 ] [ 0.051106 0.75 0.643142 ] [ 0.831562 0.75 0.093678 ] [ 0.168438 0.25 0.906322 ] [ 0.589905 0.25 0.387583 ] [ 0.410095 0.75 0.612417 ] [ 0.961877 0.25 0.735527 ] [ 0.844631 0.75 0.432344 ] [ 0.358792 0.25 0.396693 ] [ 0.261646 0.75 0.868499 ] [ 0.738354 0.25 0.131501 ] [ 0.038123 0.75 0.264473 ] [ 0.641208 0.75 0.603307 ] [ 0.142938 0.25 0.077053 ] [ 0.857062 0.75 0.922947 ] [ 0.155369 0.25 0.567656 ] [ 0.486606 0.75 0.22141 ] [ 0.513394 0.25 0.77859 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Ga" "Ga" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3822449638 "source-unit" "angstrom" } "b" { "source-value" 3.84281184 "source-unit" "angstrom" } "c" { "source-value" 12.4661140443 "source-unit" "angstrom" } "beta" { "source-value" 116.744402688 "source-unit" "degree" } }