{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.248102 0.167197 0.583337 ] [ 0.748102 0.332803 0.416663 ] [ 0.251445 0.669381 0.083081 ] [ 0.251898 0.667197 0.416663 ] [ 0.247615 0.664645 0.752235 ] [ 0.747615 0.835355 0.247765 ] [ 0.751898 0.832803 0.583337 ] [ 0.248555 0.169381 0.916919 ] [ 0.252385 0.164645 0.247765 ] [ 0.752385 0.335355 0.752235 ] [ 0.748555 0.330619 0.083081 ] [ 0.751445 0.830619 0.916919 ] [ 0 0 0.749596 ] [ 0 0.5 0.575647 ] [ 0.5 0 0.424353 ] [ 0 0 0.090976 ] [ 0.5 0.5 0.909024 ] [ 0.5 0.5 0.250404 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33186557 "source-unit" "angstrom" } "b" { "source-value" 4.73931102 "source-unit" "angstrom" } "c" { "source-value" 8.2120327 "source-unit" "angstrom" } }