{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.883002 0.320848 0.340181 ] [ 0.119568 0.680492 0.656995 ] [ 0.502612 0.000952 0.997886 ] [ 0.701405 0.273528 0.86838 ] [ 0.30143 0.728893 0.127725 ] [ 0.520597 0.990347 0.702681 ] [ 0.480561 0.011994 0.294531 ] [ 0.828996 0.331518 0.961824 ] [ 0.323965 0.612703 0.297608 ] [ 0.699368 0.382267 0.695194 ] [ 0.153998 0.678359 0.039205 ] ] } "species" { "source-value" [ "K" "K" "Pd" "N" "N" "Cl" "Cl" "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" 4.50637994586 "source-unit" "angstrom" } "b" { "source-value" 7.20110741799 "source-unit" "angstrom" } "c" { "source-value" 7.84327344625 "source-unit" "angstrom" } "alpha" { "source-value" 65.6809875358 "source-unit" "degree" } "beta" { "source-value" 78.0668798397 "source-unit" "degree" } "gamma" { "source-value" 79.8611271544 "source-unit" "degree" } }