{ "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" [ [ 0.229327 0.191136 0.861839 ] [ 0.770673 0.808864 0.138161 ] [ 0.221277 0.510665 0.426344 ] [ 0.778723 0.489335 0.573656 ] [ 0.660649 0.775333 0.558478 ] [ 0.183402 0.613999 0.120993 ] [ 0.339351 0.224667 0.441522 ] [ 0.224615 0.69798 0.715185 ] [ 0.775385 0.30202 0.284815 ] [ 0.816598 0.386001 0.879007 ] ] } "species" { "source-value" [ "Cs" "Cs" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.22774027841 "source-unit" "angstrom" } "b" { "source-value" 7.64469578541 "source-unit" "angstrom" } "c" { "source-value" 8.20689690487 "source-unit" "angstrom" } "alpha" { "source-value" 97.4178013623 "source-unit" "degree" } "beta" { "source-value" 115.030528694 "source-unit" "degree" } "gamma" { "source-value" 107.847963001 "source-unit" "degree" } }