{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.326568 0.142228 ] [ 0.25 0.442713 0.392503 ] [ 0.75 0.942713 0.107497 ] [ 0.75 0.826568 0.357772 ] [ 0.75 0.557287 0.607497 ] [ 0.75 0.673432 0.857772 ] [ 0.25 0.057287 0.892503 ] [ 0.25 0.173432 0.642228 ] [ 0.25 0.069624 0.435313 ] [ 0.25 0.699509 0.186382 ] [ 0.75 0.569624 0.064687 ] [ 0.25 0.430376 0.935313 ] [ 0.25 0.800491 0.686382 ] [ 0.75 0.930376 0.564687 ] [ 0.75 0.300491 0.813618 ] [ 0.75 0.199509 0.313618 ] [ 0.25 0.747356 0.499896 ] [ 0.75 0.252644 0.500104 ] [ 0.75 0.247356 0.000104 ] [ 0.25 0.020359 0.247645 ] [ 0.75 0.520359 0.252355 ] [ 0.25 0.479641 0.747645 ] [ 0.25 0.752644 0.999896 ] [ 0.75 0.979641 0.752355 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99022833 "source-unit" "angstrom" } "b" { "source-value" 7.41702195 "source-unit" "angstrom" } "c" { "source-value" 13.55369428 "source-unit" "angstrom" } }