{ "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" [ [ 0.084763 0.736482 0.942209 ] [ 0.173046 0.269926 0.817504 ] [ 0.317833 0.750515 0.69127 ] [ 0.434527 0.245748 0.562457 ] [ 0.565473 0.754252 0.437543 ] [ 0.682167 0.249485 0.30873 ] [ 0.826954 0.730074 0.182496 ] [ 0.915237 0.263518 0.057791 ] [ 0.5 0 0 ] [ 0.744421 0.000304 0.757858 ] [ 0.870957 0.500231 0.628806 ] [ 0 0 0.5 ] [ 0.129043 0.499769 0.371194 ] [ 0.255579 0.999696 0.242142 ] [ 0.620228 0.501949 0.879784 ] [ 0.379772 0.498051 0.120216 ] [ 0.454733 0.818892 0.848426 ] [ 0.802722 0.182104 0.898293 ] [ 0.080448 0.106372 0.657597 ] [ 0.932744 0.604806 0.790995 ] [ 0.541926 0.396515 0.734317 ] [ 0.206028 0.602961 0.530174 ] [ 0.669696 0.893713 0.597254 ] [ 0.793972 0.397039 0.469826 ] [ 0.330304 0.106287 0.402746 ] [ 0.458074 0.603485 0.265683 ] [ 0.919552 0.893628 0.342403 ] [ 0.197278 0.817896 0.101707 ] [ 0.545267 0.181108 0.151574 ] [ 0.067256 0.395194 0.209005 ] [ 0.313197 0.405704 0.972519 ] [ 0.686803 0.594296 0.027481 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 5.0770289 "source-unit" "angstrom" } "b" { "source-value" 5.32971184 "source-unit" "angstrom" } "c" { "source-value" 10.97995504 "source-unit" "angstrom" } "alpha" { "source-value" 87.29489395 "source-unit" "degree" } "beta" { "source-value" 80.09576215 "source-unit" "degree" } "gamma" { "source-value" 84.00861222 "source-unit" "degree" } }