{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.237682 0.461557 0.378543 ] [ 0.237682 0.038443 0.878543 ] [ 0.762318 0.961557 0.121457 ] [ 0.762318 0.538443 0.621457 ] [ 0.344522 0.746049 0.10836 ] [ 0.344522 0.753951 0.60836 ] [ 0.655478 0.246049 0.39164 ] [ 0.655478 0.253951 0.89164 ] [ 0.435076 0.248498 0.138325 ] [ 0.435076 0.251502 0.638325 ] [ 0.564924 0.748498 0.361675 ] [ 0.564924 0.751502 0.861675 ] [ 0.084547 0.746256 0.136103 ] [ 0.084547 0.753744 0.636103 ] [ 0.915453 0.246256 0.363897 ] [ 0.915453 0.253744 0.863897 ] [ 0.047153 0.242573 0.347694 ] [ 0.047153 0.257427 0.847694 ] [ 0.145608 0.755467 0.025101 ] [ 0.145608 0.744533 0.525101 ] [ 0.186685 0.740395 0.229866 ] [ 0.186685 0.759605 0.729866 ] [ 0.334837 0.055322 0.101896 ] [ 0.332914 0.440958 0.108677 ] [ 0.332914 0.059042 0.608677 ] [ 0.334837 0.444678 0.601896 ] [ 0.477451 0.248766 0.283387 ] [ 0.426113 0.747008 0.437268 ] [ 0.477451 0.251234 0.783387 ] [ 0.426113 0.752992 0.937268 ] [ 0.573887 0.247008 0.062732 ] [ 0.522549 0.748766 0.216613 ] [ 0.573887 0.252992 0.562732 ] [ 0.522549 0.751234 0.716613 ] [ 0.665163 0.555322 0.398104 ] [ 0.667086 0.940958 0.391323 ] [ 0.667086 0.559042 0.891323 ] [ 0.665163 0.944678 0.898104 ] [ 0.813315 0.240395 0.270134 ] [ 0.813315 0.259605 0.770134 ] [ 0.854392 0.255467 0.474899 ] [ 0.854392 0.244533 0.974899 ] [ 0.952847 0.742573 0.152306 ] [ 0.952847 0.757427 0.652306 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.20408156 "source-unit" "angstrom" } "b" { "source-value" 6.23193484 "source-unit" "angstrom" } "c" { "source-value" 10.50031581 "source-unit" "angstrom" } "beta" { "source-value" 92.62902105 "source-unit" "degree" } }