{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.820416 0.000572 0.816436 ] [ 0.179584 0.999428 0.183564 ] [ 0.442535 0.257965 0.204312 ] [ 0.557465 0.742035 0.795688 ] [ 0.878653 0.73616 0.124979 ] [ 0.121347 0.26384 0.875021 ] [ 0.208984 0.743453 0.44965 ] [ 0.791016 0.256547 0.55035 ] ] } "species" { "source-value" [ "I" "I" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.01729071109 "source-unit" "angstrom" } "b" { "source-value" 6.23876646658 "source-unit" "angstrom" } "c" { "source-value" 8.83965530642 "source-unit" "angstrom" } "alpha" { "source-value" 71.2667440296 "source-unit" "degree" } "beta" { "source-value" 84.6122425637 "source-unit" "degree" } "gamma" { "source-value" 85.5668824889 "source-unit" "degree" } }