{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.808631 0 ] [ 0 0 0.191369 ] [ 0 0 0.808631 ] [ 0.191369 0 0 ] [ 0.808631 0 0 ] [ 0 0.191369 0 ] [ 0 0.308631 0.5 ] [ 0 0.5 0.691369 ] [ 0 0.5 0.308631 ] [ 0.191369 0.5 0.5 ] [ 0.808631 0.5 0.5 ] [ 0 0.691369 0.5 ] [ 0.5 0.808631 0.5 ] [ 0.5 0 0.691369 ] [ 0.5 0 0.308631 ] [ 0.691369 0 0.5 ] [ 0.308631 0 0.5 ] [ 0.5 0.191369 0.5 ] [ 0.5 0.308631 0 ] [ 0.5 0.5 0.191369 ] [ 0.5 0.5 0.808631 ] [ 0.691369 0.5 0 ] [ 0.308631 0.5 0 ] [ 0.5 0.691369 0 ] [ 0.164217 0.835783 0.835783 ] [ 0.835783 0.835783 0.835783 ] [ 0.616747 0.883253 0.883253 ] [ 0.383253 0.116747 0.883253 ] [ 0.883253 0.883253 0.616747 ] [ 0.616747 0.883253 0.116747 ] [ 0.116747 0.116747 0.383253 ] [ 0.383253 0.116747 0.116747 ] [ 0.116747 0.116747 0.616747 ] [ 0.835783 0.835783 0.164217 ] [ 0.835783 0.164217 0.835783 ] [ 0.164217 0.164217 0.835783 ] [ 0.164217 0.835783 0.164217 ] [ 0.835783 0.164217 0.164217 ] [ 0.164217 0.164217 0.164217 ] [ 0.883253 0.883253 0.383253 ] [ 0.164217 0.335783 0.335783 ] [ 0.835783 0.335783 0.335783 ] [ 0.616747 0.383253 0.383253 ] [ 0.383253 0.616747 0.383253 ] [ 0.883253 0.383253 0.116747 ] [ 0.616747 0.383253 0.616747 ] [ 0.116747 0.616747 0.883253 ] [ 0.383253 0.616747 0.616747 ] [ 0.116747 0.616747 0.116747 ] [ 0.835783 0.335783 0.664217 ] [ 0.835783 0.664217 0.335783 ] [ 0.164217 0.664217 0.335783 ] [ 0.164217 0.335783 0.664217 ] [ 0.835783 0.664217 0.664217 ] [ 0.164217 0.664217 0.664217 ] [ 0.883253 0.383253 0.883253 ] [ 0.664217 0.835783 0.335783 ] [ 0.335783 0.835783 0.335783 ] [ 0.116747 0.883253 0.383253 ] [ 0.883253 0.116747 0.383253 ] [ 0.383253 0.883253 0.116747 ] [ 0.116747 0.883253 0.616747 ] [ 0.616747 0.116747 0.883253 ] [ 0.883253 0.116747 0.616747 ] [ 0.616747 0.116747 0.116747 ] [ 0.335783 0.835783 0.664217 ] [ 0.335783 0.164217 0.335783 ] [ 0.664217 0.164217 0.335783 ] [ 0.664217 0.835783 0.664217 ] [ 0.335783 0.164217 0.664217 ] [ 0.664217 0.164217 0.664217 ] [ 0.383253 0.883253 0.883253 ] [ 0.664217 0.335783 0.835783 ] [ 0.335783 0.335783 0.835783 ] [ 0.116747 0.383253 0.883253 ] [ 0.883253 0.616747 0.883253 ] [ 0.383253 0.383253 0.616747 ] [ 0.116747 0.383253 0.116747 ] [ 0.616747 0.616747 0.383253 ] [ 0.883253 0.616747 0.116747 ] [ 0.616747 0.616747 0.616747 ] [ 0.335783 0.335783 0.164217 ] [ 0.335783 0.664217 0.835783 ] [ 0.664217 0.664217 0.835783 ] [ 0.664217 0.335783 0.164217 ] [ 0.335783 0.664217 0.164217 ] [ 0.664217 0.664217 0.164217 ] [ 0.383253 0.383253 0.383253 ] [ 0 0 0.5 ] [ 0.75 0 0.75 ] [ 0 0.75 0.75 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.75 ] [ 0.75 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.75 0.5 0.25 ] [ 0 0.25 0.25 ] [ 0.5 0.25 0.25 ] [ 0.25 0.5 0.25 ] [ 0.75 0.25 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0 0.25 ] [ 0.5 0.75 0.25 ] [ 0 0.75 0.25 ] [ 0.75 0 0.25 ] [ 0.25 0.75 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.5 0.75 ] [ 0.5 0.25 0.75 ] [ 0 0.25 0.75 ] [ 0.75 0.5 0.75 ] [ 0.25 0.25 0 ] [ 0.25 0.25 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 10.97127177 "source-unit" "angstrom" } }