{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.827415 0.007417 0.391725 ] [ 0.327415 0.992583 0.108275 ] [ 0.672585 0.507417 0.608275 ] [ 0.172585 0.492583 0.891725 ] [ 0.172585 0.992583 0.608275 ] [ 0.672585 0.007417 0.891725 ] [ 0.327415 0.492583 0.391725 ] [ 0.827415 0.507417 0.108275 ] [ 0.792076 0.09422 0.5157 ] [ 0.292076 0.90578 0.9843 ] [ 0.707924 0.59422 0.4843 ] [ 0.207924 0.40578 0.0157 ] [ 0.207924 0.90578 0.4843 ] [ 0.707924 0.09422 0.0157 ] [ 0.292076 0.40578 0.5157 ] [ 0.792076 0.59422 0.9843 ] [ 0.903435 0.639 0.206213 ] [ 0.403435 0.361 0.293787 ] [ 0.596565 0.139 0.793787 ] [ 0.096565 0.861 0.706213 ] [ 0.096565 0.361 0.793787 ] [ 0.596565 0.639 0.706213 ] [ 0.403435 0.861 0.206213 ] [ 0.903435 0.139 0.293787 ] ] } "species" { "source-value" [ "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.6741718 "source-unit" "angstrom" } "b" { "source-value" 7.07630395 "source-unit" "angstrom" } "c" { "source-value" 10.93847954 "source-unit" "angstrom" } }