{ "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" [ [ 0.845995 0.126899 0.125129 ] [ 0.154005 0.626899 0.374871 ] [ 0.154005 0.873101 0.874871 ] [ 0.845995 0.373101 0.625129 ] [ 0.661521 0.629653 0.815469 ] [ 0.338479 0.129653 0.684531 ] [ 0.338479 0.370347 0.184531 ] [ 0.661521 0.870347 0.315469 ] [ 0.727608 0.500041 0.207875 ] [ 0.272392 0.000041 0.292125 ] [ 0.272392 0.499959 0.792125 ] [ 0.727608 0.999959 0.707875 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14348225614 "source-unit" "angstrom" } "b" { "source-value" 6.15188186 "source-unit" "angstrom" } "c" { "source-value" 6.24867262579 "source-unit" "angstrom" } "beta" { "source-value" 113.028200771 "source-unit" "degree" } }