{ "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" [ [ 0.342324 0.244043 0.023204 ] [ 0.657676 0.755957 0.976796 ] [ 0.741516 0.274032 0.419395 ] [ 0.258484 0.725968 0.580605 ] [ 0.760916 0.061265 0.804787 ] [ 0.239084 0.938735 0.195213 ] [ 0.916218 0.290569 0.14117 ] [ 0.083782 0.709431 0.85883 ] [ 0.603293 0.359265 0.740099 ] [ 0.396707 0.640735 0.259901 ] [ 0.186337 0.37972 0.749575 ] [ 0.813663 0.62028 0.250425 ] [ 0.255548 0.314738 0.422839 ] [ 0.744452 0.685262 0.577161 ] [ 0.794414 0.102428 0.982641 ] [ 0.205586 0.897572 0.017359 ] [ 0.588661 0.138354 0.731191 ] [ 0.411339 0.861646 0.268809 ] [ 0.345848 0.177507 0.27041 ] [ 0.654152 0.822493 0.72959 ] [ 0.948327 0.215527 0.278775 ] [ 0.051673 0.784473 0.721225 ] [ 0.564993 0.3895 0.581022 ] [ 0.435007 0.6105 0.418978 ] [ 0.117236 0.360286 0.580172 ] [ 0.882764 0.639714 0.419828 ] [ 0.753892 0.396762 0.140251 ] [ 0.246108 0.603238 0.859749 ] [ 0.419974 0.371583 0.816327 ] [ 0.580026 0.628417 0.183673 ] [ 0.156453 0.459144 0.135105 ] [ 0.843547 0.540856 0.864895 ] [ 0.007704 0.201711 0.795747 ] [ 0.992296 0.798289 0.204253 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "O" "O" "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" 7.02664365721 "source-unit" "angstrom" } "b" { "source-value" 7.71818024816 "source-unit" "angstrom" } "c" { "source-value" 9.86779916863 "source-unit" "angstrom" } "alpha" { "source-value" 101.399132509 "source-unit" "degree" } "beta" { "source-value" 102.740521725 "source-unit" "degree" } "gamma" { "source-value" 115.301185143 "source-unit" "degree" } }