{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.749654 0.914764 0.864991 ] [ 0.250346 0.414764 0.635009 ] [ 0.250346 0.085236 0.135009 ] [ 0.749654 0.585236 0.364991 ] [ 0.253116 0.310921 0.42712 ] [ 0.746884 0.810921 0.07288 ] [ 0.746884 0.689079 0.57288 ] [ 0.253116 0.189079 0.92712 ] [ 0.260783 0.603035 0.831208 ] [ 0.739217 0.103035 0.668792 ] [ 0.739217 0.396965 0.168792 ] [ 0.260783 0.896965 0.331208 ] [ 0.170392 0.010338 0.246869 ] [ 0.829608 0.510338 0.253131 ] [ 0.829608 0.989662 0.753131 ] [ 0.170392 0.489662 0.746869 ] [ 0.546641 0.797327 0.322339 ] [ 0.453359 0.297327 0.177661 ] [ 0.453359 0.202673 0.677661 ] [ 0.546641 0.702673 0.822339 ] [ 0.044885 0.745606 0.366247 ] [ 0.955115 0.245606 0.133753 ] [ 0.955115 0.254394 0.633753 ] [ 0.044885 0.754394 0.866247 ] [ 0.283078 0.434195 0.910105 ] [ 0.716922 0.934195 0.589895 ] [ 0.716922 0.565805 0.089895 ] [ 0.283078 0.065805 0.410105 ] [ 0.33204 0.168539 0.024838 ] [ 0.66796 0.668539 0.475162 ] [ 0.66796 0.831461 0.975162 ] [ 0.33204 0.331461 0.524838 ] [ 0.457788 0.081063 0.864588 ] [ 0.542212 0.581063 0.635412 ] [ 0.542212 0.918937 0.135412 ] [ 0.457788 0.418937 0.364588 ] [ 0.951987 0.130512 0.906941 ] [ 0.048013 0.630512 0.593059 ] [ 0.048013 0.869488 0.093059 ] [ 0.951987 0.369488 0.406941 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.81301848193 "source-unit" "angstrom" } "b" { "source-value" 6.39682026 "source-unit" "angstrom" } "c" { "source-value" 14.9721566586 "source-unit" "angstrom" } "beta" { "source-value" 90.0222705883 "source-unit" "degree" } }