{ "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" [ [ 0.202562 0.122124 0.277111 ] [ 0.297438 0.622124 0.222889 ] [ 0.797438 0.877876 0.722889 ] [ 0.702562 0.377876 0.777111 ] [ 0.948855 0.623299 0.324775 ] [ 0.551145 0.123299 0.175225 ] [ 0.051145 0.376701 0.675225 ] [ 0.448855 0.876701 0.824775 ] [ 0.046712 0.113572 0.943931 ] [ 0.453288 0.613572 0.556069 ] [ 0.953288 0.886428 0.056069 ] [ 0.546712 0.386428 0.443931 ] [ 0.050578 0.637132 0.949771 ] [ 0.449422 0.137132 0.550229 ] [ 0.949422 0.362868 0.050229 ] [ 0.550578 0.862868 0.449771 ] [ 0.311804 0.204895 0.822189 ] [ 0.188196 0.704895 0.677811 ] [ 0.688196 0.795105 0.177811 ] [ 0.811804 0.295105 0.322189 ] [ 0.323643 0.547257 0.831251 ] [ 0.176357 0.047257 0.668749 ] [ 0.676357 0.452743 0.168749 ] [ 0.823643 0.952743 0.331251 ] [ 0.734272 0.123313 0.030066 ] [ 0.765728 0.623313 0.469934 ] [ 0.265728 0.876687 0.969934 ] [ 0.234272 0.376687 0.530066 ] [ 0.736526 0.626672 0.034674 ] [ 0.763474 0.126672 0.465326 ] [ 0.263474 0.373328 0.965326 ] [ 0.236526 0.873328 0.534674 ] [ 0.945763 0.136948 0.771031 ] [ 0.554237 0.636948 0.728969 ] [ 0.054237 0.863052 0.228969 ] [ 0.445763 0.363052 0.271031 ] [ 0.944266 0.617093 0.772683 ] [ 0.555734 0.117093 0.727317 ] [ 0.055734 0.382907 0.227317 ] [ 0.444266 0.882907 0.272683 ] [ 0.105616 0.121139 0.466286 ] [ 0.394384 0.621139 0.033714 ] [ 0.894384 0.878861 0.533714 ] [ 0.605616 0.378861 0.966286 ] [ 0.100087 0.627594 0.489196 ] [ 0.399913 0.127594 0.010804 ] [ 0.899913 0.372406 0.510804 ] [ 0.600087 0.872406 0.989196 ] [ 0.704602 0.111325 0.873189 ] [ 0.795398 0.611325 0.626811 ] [ 0.295398 0.888675 0.126811 ] [ 0.204602 0.388675 0.373189 ] [ 0.706279 0.645304 0.875716 ] [ 0.793721 0.145304 0.624284 ] [ 0.293721 0.354696 0.124284 ] [ 0.206279 0.854696 0.375716 ] [ 0.531993 0.121774 0.348539 ] [ 0.968007 0.621774 0.151461 ] [ 0.468007 0.878226 0.651461 ] [ 0.031993 0.378226 0.848539 ] [ 0.59045 0.624699 0.327708 ] [ 0.90955 0.124699 0.172292 ] [ 0.40955 0.375301 0.672292 ] [ 0.09045 0.875301 0.827708 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11589849591 "source-unit" "angstrom" } "b" { "source-value" 8.3368516 "source-unit" "angstrom" } "c" { "source-value" 14.3997965068 "source-unit" "angstrom" } "beta" { "source-value" 93.8261412187 "source-unit" "degree" } }