{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.585559 0.327235 ] [ 0.75 0.414441 0.672765 ] [ 0.25 0.085559 0.172765 ] [ 0.75 0.914441 0.827235 ] [ 0.25 0.835778 0.550233 ] [ 0.75 0.164221 0.449767 ] [ 0.25 0.335778 0.949767 ] [ 0.75 0.664222 0.050233 ] [ 0.25 0.992222 0.393052 ] [ 0.75 0.007778 0.606948 ] [ 0.25 0.492222 0.106948 ] [ 0.75 0.507778 0.893052 ] [ 0.25 0.842841 0.992232 ] [ 0.75 0.157159 0.007768 ] [ 0.25 0.342841 0.507768 ] [ 0.75 0.657159 0.492232 ] [ 0.75 0.806078 0.213642 ] [ 0.25 0.193922 0.786358 ] [ 0.75 0.306078 0.286358 ] [ 0.25 0.693922 0.713642 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.76185029 "source-unit" "angstrom" } "b" { "source-value" 7.79520045 "source-unit" "angstrom" } "c" { "source-value" 12.90226878 "source-unit" "angstrom" } }