{ "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" [ [ 0.572413 0.844971 0.740434 ] [ 0.433966 0.652954 0.328557 ] [ 0.566034 0.347046 0.671443 ] [ 0.427587 0.155029 0.259566 ] [ 0.006416 0.93409 0.287844 ] [ 0.80417 0.638522 0.075318 ] [ 0.19583 0.361478 0.924682 ] [ 0.993584 0.06591 0.712156 ] [ 0.13912 0.712658 0.617843 ] [ 0.279492 0.827234 0.999953 ] [ 0.720508 0.172766 0.000047 ] [ 0.86088 0.287342 0.382157 ] [ 0.541925 0.732607 0.951358 ] [ 0.280022 0.89858 0.643908 ] [ 0.881082 0.810897 0.67421 ] [ 0.811355 0.93549 0.112623 ] [ 0.111153 0.656443 0.980017 ] [ 0.15271 0.699968 0.446224 ] [ 0.279126 0.847732 0.168526 ] [ 0.744195 0.525457 0.280324 ] [ 0.255805 0.474543 0.719676 ] [ 0.720874 0.152268 0.831474 ] [ 0.84729 0.300032 0.553776 ] [ 0.888847 0.343557 0.019983 ] [ 0.188645 0.06451 0.887377 ] [ 0.118918 0.189103 0.32579 ] [ 0.719978 0.10142 0.356092 ] [ 0.458075 0.267393 0.048642 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.89427461 "source-unit" "angstrom" } "b" { "source-value" 6.50212103 "source-unit" "angstrom" } "c" { "source-value" 9.4735959 "source-unit" "angstrom" } "alpha" { "source-value" 76.34276961 "source-unit" "degree" } "beta" { "source-value" 87.28017925 "source-unit" "degree" } "gamma" { "source-value" 79.11277583 "source-unit" "degree" } }