{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.991018 0.483412 0.985749 ] [ 0.50452 0.200641 0.828474 ] [ 0.526833 0.475547 0.515057 ] [ 0.473167 0.975547 0.484943 ] [ 0.49548 0.700641 0.171526 ] [ 0.008982 0.983412 0.014251 ] [ 0.982891 0.758736 0.688313 ] [ 0.017109 0.258736 0.311687 ] [ 0.994204 0.235079 0.667972 ] [ 0.005796 0.735079 0.332028 ] [ 0.487886 0.744824 0.859496 ] [ 0.512114 0.244824 0.140504 ] [ 0.292919 0.725091 0.938655 ] [ 0.702868 0.76632 0.92029 ] [ 0.078527 0.091365 0.786237 ] [ 0.933313 0.42533 0.747354 ] [ 0.472178 0.744517 0.719863 ] [ 0.755765 0.167598 0.593678 ] [ 0.213603 0.256138 0.562313 ] [ 0.786397 0.756138 0.437687 ] [ 0.244235 0.667598 0.406322 ] [ 0.527822 0.244517 0.280137 ] [ 0.066687 0.92533 0.252646 ] [ 0.921473 0.591365 0.213763 ] [ 0.297132 0.26632 0.07971 ] [ 0.707081 0.225091 0.061345 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Tl" "Tl" "P" "P" "C" "C" "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" 5.4046599 "source-unit" "angstrom" } "b" { "source-value" 7.04699147 "source-unit" "angstrom" } "c" { "source-value" 9.38857603 "source-unit" "angstrom" } "beta" { "source-value" 90.13032361 "source-unit" "degree" } }