{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.743176 0.155536 0.655453 ] [ 0.243176 0.344464 0.844547 ] [ 0.743176 0.155536 0.344547 ] [ 0.243176 0.344464 0.155453 ] [ 0.756824 0.655536 0.155453 ] [ 0.256824 0.844464 0.344547 ] [ 0.256824 0.844464 0.655453 ] [ 0.756824 0.655536 0.844547 ] [ 0.827377 0.72728 0 ] [ 0.327377 0.77272 0.5 ] [ 0.798256 0.096838 0.200681 ] [ 0.298256 0.403162 0.299319 ] [ 0.701744 0.596838 0.299319 ] [ 0.201744 0.903162 0.200681 ] [ 0.201744 0.903162 0.799319 ] [ 0.701744 0.596838 0.700681 ] [ 0.298256 0.403162 0.700681 ] [ 0.798256 0.096838 0.799319 ] [ 0.672623 0.22728 0.5 ] [ 0.172623 0.27272 0 ] ] } "species" { "source-value" [ "Ni" "Ni" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "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" 6.04918486 "source-unit" "angstrom" } "b" { "source-value" 7.05977737 "source-unit" "angstrom" } "c" { "source-value" 7.26975855 "source-unit" "angstrom" } }