{ "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" [ [ 0.977248 0.008351 0.986515 ] [ 0.792149 0.598666 0.42381 ] [ 0.468549 0.778525 0.901787 ] [ 0.295383 0.952015 0.549225 ] [ 0.362641 0.303013 0.638843 ] [ 0.529552 0.196212 0.513584 ] [ 0.350395 0.497185 0.055694 ] [ 0.426651 0.298969 0.062175 ] [ 0.619883 0.09355 0.305482 ] [ 0.834056 0.130705 0.516713 ] [ 0.702454 0.432324 0.83237 ] [ 0.945253 0.444716 0.964047 ] [ 0.524878 0.029402 0.94622 ] [ 0.433957 0.995617 0.079671 ] [ 0.277804 0.57249 0.741659 ] [ 0.243149 0.656984 0.922297 ] [ 0.483314 0.752413 0.635501 ] [ 0.604718 0.896337 0.624487 ] [ 0.104441 0.893261 0.656113 ] [ 0.090445 0.08258 0.653012 ] [ 0.710255 0.702763 0.023224 ] [ 0.170137 0.871998 0.31466 ] [ 0.384744 0.193521 0.548482 ] [ 0.416762 0.417698 0.144722 ] [ 0.690252 0.179226 0.437811 ] [ 0.832129 0.356381 0.865296 ] ] } "species" { "source-value" [ "K" "K" "V" "V" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.57639303 "source-unit" "angstrom" } "b" { "source-value" 7.72218446 "source-unit" "angstrom" } "c" { "source-value" 7.75066262 "source-unit" "angstrom" } "alpha" { "source-value" 106.05439821 "source-unit" "degree" } "beta" { "source-value" 113.69883207 "source-unit" "degree" } "gamma" { "source-value" 84.59918142 "source-unit" "degree" } }