{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.985852 0.938832 0.752405 ] [ 0.514148 0.438832 0.747595 ] [ 0.014148 0.061168 0.247595 ] [ 0.485852 0.561168 0.252405 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.900352 0.467784 0.256544 ] [ 0.599648 0.967784 0.243456 ] [ 0.099648 0.532216 0.743456 ] [ 0.400352 0.032216 0.756544 ] [ 0.212328 0.815477 0.046946 ] [ 0.287672 0.315477 0.453054 ] [ 0.787672 0.184523 0.953054 ] [ 0.712328 0.684523 0.546946 ] [ 0.679782 0.717423 0.946133 ] [ 0.820218 0.217423 0.553867 ] [ 0.179782 0.782577 0.446133 ] [ 0.320218 0.282577 0.053867 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "Re" "Re" "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" 5.48312355647 "source-unit" "angstrom" } "b" { "source-value" 5.70969943 "source-unit" "angstrom" } "c" { "source-value" 7.7500604539 "source-unit" "angstrom" } "beta" { "source-value" 90.4871267476 "source-unit" "degree" } }