{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.156989 0 ] [ 0 0.166623 0.5 ] [ 0.5 0 0 ] [ 0.329647 0.167209 0.859337 ] [ 0.670353 0.832791 0.140663 ] [ 0 0.833377 0.5 ] [ 0 0.843011 0 ] [ 0.670353 0.167209 0.140663 ] [ 0.329647 0.832791 0.859337 ] [ 0.5 0.656989 0 ] [ 0.5 0.666623 0.5 ] [ 0 0.5 0 ] [ 0.829647 0.667209 0.859337 ] [ 0.170353 0.332791 0.140663 ] [ 0.5 0.333377 0.5 ] [ 0.5 0.343011 0 ] [ 0.170353 0.667209 0.140663 ] [ 0.829647 0.332791 0.859337 ] [ 0.833036 0 0.331218 ] [ 0.166964 0 0.668782 ] [ 0.333548 0.163413 0.332696 ] [ 0.666452 0.836587 0.667304 ] [ 0.666452 0.163413 0.667304 ] [ 0.333548 0.836587 0.332696 ] [ 0.333036 0.5 0.331218 ] [ 0.666964 0.5 0.668782 ] [ 0.833548 0.663413 0.332696 ] [ 0.166452 0.336587 0.667304 ] [ 0.166452 0.663413 0.667304 ] [ 0.833548 0.336587 0.332696 ] [ 0.854383 0 0.593479 ] [ 0.992884 0.167645 0.264987 ] [ 0.007116 0.167645 0.735013 ] [ 0.145617 0 0.406521 ] [ 0.520379 0 0.263499 ] [ 0.479621 0 0.736501 ] [ 0.323769 0.17051 0.594403 ] [ 0.676231 0.82949 0.405597 ] [ 0.007116 0.832355 0.735013 ] [ 0.992884 0.832355 0.264987 ] [ 0.676231 0.17051 0.405597 ] [ 0.323769 0.82949 0.594403 ] [ 0.354383 0.5 0.593479 ] [ 0.492884 0.667645 0.264987 ] [ 0.507116 0.667645 0.735013 ] [ 0.645617 0.5 0.406521 ] [ 0.020379 0.5 0.263499 ] [ 0.979621 0.5 0.736501 ] [ 0.823769 0.67051 0.594403 ] [ 0.176231 0.32949 0.405597 ] [ 0.507116 0.332355 0.735013 ] [ 0.492884 0.332355 0.264987 ] [ 0.176231 0.67051 0.405597 ] [ 0.823769 0.32949 0.594403 ] [ 0.81291 0 0.076536 ] [ 0.18709 0 0.923464 ] [ 0.34696 0.178297 0.079624 ] [ 0.65304 0.821703 0.920376 ] [ 0.65304 0.178297 0.920376 ] [ 0.34696 0.821703 0.079624 ] [ 0.31291 0.5 0.076536 ] [ 0.68709 0.5 0.923464 ] [ 0.84696 0.678297 0.079624 ] [ 0.15304 0.321703 0.920376 ] [ 0.15304 0.678297 0.920376 ] [ 0.84696 0.321703 0.079624 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13273775 "source-unit" "angstrom" } "b" { "source-value" 8.93544051 "source-unit" "angstrom" } "c" { "source-value" 14.85375366 "source-unit" "angstrom" } "beta" { "source-value" 90.69773641 "source-unit" "degree" } }