{ "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" [ [ 0.237561 0.75 0.080578 ] [ 0.748839 0.996688 0.25426 ] [ 0.748839 0.503312 0.25426 ] [ 0.251161 0.496688 0.74574 ] [ 0.251161 0.003312 0.74574 ] [ 0.762439 0.25 0.919422 ] [ 0.213568 0.25 0.332798 ] [ 0.786432 0.75 0.667202 ] [ 0.269971 0.25 0.067485 ] [ 0.730029 0.75 0.932515 ] [ 0.285129 0.75 0.421873 ] [ 0.714871 0.25 0.578127 ] [ 0.699833 0.75 0.080035 ] [ 0.034537 0.25 0.134166 ] [ 0.468779 0.25 0.173877 ] [ 0.21703 0.941643 0.307501 ] [ 0.21703 0.558357 0.307501 ] [ 0.610178 0.75 0.469319 ] [ 0.868859 0.25 0.413665 ] [ 0.131141 0.75 0.586335 ] [ 0.389822 0.25 0.530681 ] [ 0.78297 0.441643 0.692499 ] [ 0.78297 0.058357 0.692499 ] [ 0.531221 0.75 0.826123 ] [ 0.965463 0.75 0.865834 ] [ 0.300167 0.25 0.919965 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "B" "B" "As" "As" "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" 5.21613176 "source-unit" "angstrom" } "b" { "source-value" 6.95765907 "source-unit" "angstrom" } "c" { "source-value" 8.99765487 "source-unit" "angstrom" } "beta" { "source-value" 92.03955664 "source-unit" "degree" } }