{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.510463 0.191891 ] [ 0.75 0.489537 0.808109 ] [ 0.75 0.989537 0.691891 ] [ 0.25 0.010463 0.308109 ] [ 0.25 0.28374 0.602521 ] [ 0.75 0.71626 0.397479 ] [ 0.75 0.21626 0.102521 ] [ 0.25 0.78374 0.897479 ] [ 0.25 0.16867 0.927338 ] [ 0.75 0.83133 0.072662 ] [ 0.75 0.33133 0.427338 ] [ 0.25 0.66867 0.572662 ] [ 0.75 0.941799 0.419257 ] [ 0.25 0.058201 0.580743 ] [ 0.25 0.558201 0.919257 ] [ 0.75 0.441799 0.080743 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37311871 "source-unit" "angstrom" } "b" { "source-value" 7.22718241 "source-unit" "angstrom" } "c" { "source-value" 8.30374777 "source-unit" "angstrom" } }