{ "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" [ [ 0.244353 0.761972 0.896952 ] [ 0.761975 0.53443 0.729017 ] [ 0.242116 0.479374 0.264308 ] [ 0.243905 0.022931 0.265874 ] [ 0.739392 0.246687 0.086956 ] [ 0.204828 0.241748 0.663855 ] [ 0.789761 0.75249 0.343892 ] [ 0.289321 0.742065 0.584339 ] [ 0.719847 0.255493 0.414113 ] [ 0.269935 0.259489 0.964579 ] [ 0.720541 0.741536 0.040669 ] [ 0.024142 0.259187 0.931259 ] [ 0.637686 0.710318 0.905854 ] [ 0.453356 0.261391 0.851369 ] [ 0.212511 0.931184 0.685394 ] [ 0.167456 0.55998 0.685457 ] [ 0.593434 0.712762 0.562543 ] [ 0.828477 0.265575 0.577398 ] [ 0.178442 0.752778 0.417761 ] [ 0.409712 0.252255 0.428111 ] [ 0.821786 0.437994 0.304665 ] [ 0.826368 0.066619 0.316919 ] [ 0.540877 0.761009 0.1599 ] [ 0.343729 0.254651 0.108227 ] [ 0.969859 0.753682 0.071371 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.03060818 "source-unit" "angstrom" } "b" { "source-value" 6.47285433 "source-unit" "angstrom" } "c" { "source-value" 8.56513344 "source-unit" "angstrom" } "alpha" { "source-value" 89.27372716 "source-unit" "degree" } "beta" { "source-value" 86.79112568 "source-unit" "degree" } "gamma" { "source-value" 89.91656046 "source-unit" "degree" } }