{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.248452 0.06127 ] [ 0.25 0.748452 0.43873 ] [ 0.75 0.251548 0.56127 ] [ 0.25 0.751548 0.93873 ] [ 0.75 0.693306 0.112261 ] [ 0.25 0.94125 0.150337 ] [ 0.75 0.44125 0.349663 ] [ 0.25 0.193306 0.387739 ] [ 0.75 0.806694 0.612261 ] [ 0.25 0.55875 0.650337 ] [ 0.75 0.05875 0.849663 ] [ 0.25 0.306694 0.887739 ] [ 0.25 0.410966 0.219104 ] [ 0.75 0.910966 0.280896 ] [ 0.25 0.089034 0.719104 ] [ 0.75 0.589034 0.780896 ] [ 0.75 0.631588 0.042545 ] [ 0.25 0.001845 0.0801 ] [ 0.75 0.501845 0.4199 ] [ 0.25 0.131588 0.457455 ] [ 0.75 0.868412 0.542545 ] [ 0.25 0.498155 0.5801 ] [ 0.75 0.998155 0.9199 ] [ 0.25 0.368412 0.957455 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.78642605 "source-unit" "angstrom" } "b" { "source-value" 6.33068642 "source-unit" "angstrom" } "c" { "source-value" 12.81033626 "source-unit" "angstrom" } }