{ "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" [ [ 0.761234 0.524089 0.239177 ] [ 0.238766 0.024089 0.760823 ] [ 0.217069 0.236702 0.351417 ] [ 0.782931 0.736702 0.648583 ] [ 0.276487 0.255574 0.082499 ] [ 0.723513 0.755574 0.917501 ] [ 0.277014 0.745858 0.425699 ] [ 0.722986 0.245858 0.574301 ] [ 0.692459 0.756126 0.054418 ] [ 0.050928 0.253443 0.13974 ] [ 0.467127 0.255712 0.179784 ] [ 0.215695 0.925677 0.333414 ] [ 0.197082 0.562425 0.338447 ] [ 0.855594 0.254508 0.430936 ] [ 0.563067 0.732037 0.459047 ] [ 0.436933 0.232037 0.540953 ] [ 0.144406 0.754508 0.569064 ] [ 0.802918 0.062425 0.661553 ] [ 0.784305 0.425677 0.666586 ] [ 0.532873 0.755712 0.820216 ] [ 0.949072 0.753443 0.86026 ] [ 0.307541 0.256126 0.945582 ] ] } "species" { "source-value" [ "Na" "Na" "Ni" "Ni" "C" "C" "S" "S" "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" 5.18278938 "source-unit" "angstrom" } "b" { "source-value" 6.55335074 "source-unit" "angstrom" } "c" { "source-value" 9.05199681 "source-unit" "angstrom" } "beta" { "source-value" 92.142979 "source-unit" "degree" } }