{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.766604 0.49177 0.221594 ] [ 0.766604 0.00823 0.221594 ] [ 0.233396 0.50823 0.778406 ] [ 0.233396 0.99177 0.778406 ] [ 0.19387 0.25 0.343573 ] [ 0.80613 0.75 0.656427 ] [ 0.300949 0.75 0.426544 ] [ 0.699051 0.25 0.573456 ] [ 0.269808 0.25 0.056598 ] [ 0.730192 0.75 0.943402 ] [ 0.701435 0.75 0.088981 ] [ 0.035825 0.25 0.117339 ] [ 0.468096 0.25 0.161698 ] [ 0.198523 0.957446 0.32645 ] [ 0.198523 0.542554 0.32645 ] [ 0.829576 0.25 0.402156 ] [ 0.623656 0.75 0.449816 ] [ 0.376344 0.25 0.550184 ] [ 0.170424 0.75 0.597844 ] [ 0.801477 0.457446 0.67355 ] [ 0.801477 0.042554 0.67355 ] [ 0.531904 0.75 0.838302 ] [ 0.964175 0.75 0.882661 ] [ 0.298565 0.25 0.911019 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Si" "Si" "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" 5.07844036 "source-unit" "angstrom" } "b" { "source-value" 6.32257716 "source-unit" "angstrom" } "c" { "source-value" 8.5805029 "source-unit" "angstrom" } "beta" { "source-value" 92.86876079 "source-unit" "degree" } }