{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.276953 0.682465 0.792887 ] [ 0.723047 0.317535 0.207113 ] [ 0.107106 0.774686 0.436351 ] [ 0.892894 0.225314 0.563649 ] [ 0.195527 0.08404 0.310394 ] [ 0.21987 0.571053 0.189203 ] [ 0.78013 0.428947 0.810797 ] [ 0.804473 0.91596 0.689606 ] [ 0.163936 0.22026 0.823251 ] [ 0.14559 0.117418 0.99794 ] [ 0.356503 0.059272 0.839234 ] [ 0.419949 0.640203 0.468196 ] [ 0.399402 0.223065 0.933363 ] [ 0.600598 0.776935 0.066637 ] [ 0.580051 0.359797 0.531804 ] [ 0.643497 0.940728 0.160766 ] [ 0.85441 0.882582 0.00206 ] [ 0.836064 0.77974 0.176749 ] [ 0.266547 0.154985 0.898212 ] [ 0.733453 0.845015 0.101788 ] [ 0.076531 0.431558 0.153467 ] [ 0.039479 0.668406 0.319889 ] [ 0.130768 0.17399 0.467871 ] [ 0.0226 0.89653 0.786441 ] [ 0.282807 0.686528 0.044139 ] [ 0.248515 0.906018 0.351149 ] [ 0.275815 0.689866 0.53574 ] [ 0.444942 0.138232 0.217209 ] [ 0.466225 0.521057 0.255254 ] [ 0.533775 0.478943 0.744746 ] [ 0.555058 0.861768 0.782791 ] [ 0.724185 0.310134 0.46426 ] [ 0.751485 0.093982 0.648851 ] [ 0.717193 0.313472 0.955861 ] [ 0.9774 0.10347 0.21356 ] [ 0.869232 0.82601 0.532129 ] [ 0.960521 0.331594 0.680111 ] [ 0.923469 0.568442 0.846533 ] ] } "species" { "source-value" [ "In" "In" "B" "B" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "O" "O" "O" "O" "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" 5.37612723 "source-unit" "angstrom" } "b" { "source-value" 8.51160532 "source-unit" "angstrom" } "c" { "source-value" 8.58393237 "source-unit" "angstrom" } "alpha" { "source-value" 87.27459676 "source-unit" "degree" } "beta" { "source-value" 80.60451785 "source-unit" "degree" } "gamma" { "source-value" 86.73445906 "source-unit" "degree" } }