{ "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" [ [ 0.37584 0.129916 0.88102 ] [ 0.748787 0.25316 0.756138 ] [ 0.244083 0.248596 0.246932 ] [ 0.876206 0.375869 0.125225 ] [ 0.627356 0.619058 0.622063 ] [ 0.757228 0.743531 0.254318 ] [ 0.120627 0.87677 0.367804 ] [ 0.491975 0.001144 0.503186 ] [ 0.371211 0.372592 0.619719 ] [ 0.995339 0.503257 0.483841 ] [ 0.509958 0.484969 0.997382 ] [ 0.883085 0.625292 0.876357 ] [ 0.384489 0.610575 0.365075 ] [ 0.250973 0.758689 0.743907 ] [ 0.871922 0.887234 0.624948 ] [ 0.63208 0.882299 0.886555 ] [ 0.378939 0.873007 0.125757 ] [ 0.007008 0.015487 0.011863 ] [ 0.113026 0.135638 0.619277 ] [ 0.871993 0.127362 0.381976 ] [ 0.622665 0.121197 0.134867 ] [ 0.123074 0.375177 0.874994 ] [ 0.621169 0.36881 0.380599 ] [ 0.130271 0.616916 0.118111 ] [ 0.405644 0.102263 0.139366 ] [ 0.887315 0.126087 0.610163 ] [ 0.637191 0.115696 0.923192 ] [ 0.084256 0.14425 0.40184 ] [ 0.84807 0.119962 0.168935 ] [ 0.32562 0.139405 0.619705 ] [ 0.639073 0.136917 0.363103 ] [ 0.112244 0.162454 0.84551 ] [ 0.619626 0.334125 0.158562 ] [ 0.127191 0.360709 0.642603 ] [ 0.834857 0.342468 0.386612 ] [ 0.341362 0.37382 0.850086 ] [ 0.599956 0.358379 0.597339 ] [ 0.136403 0.396834 0.08501 ] [ 0.398193 0.371287 0.382695 ] [ 0.907446 0.39871 0.866472 ] [ 0.622426 0.577553 0.366685 ] [ 0.120962 0.604981 0.886234 ] [ 0.374935 0.598668 0.614309 ] [ 0.91821 0.628308 0.10633 ] [ 0.140132 0.613515 0.326897 ] [ 0.651851 0.643563 0.879823 ] [ 0.348867 0.635099 0.108466 ] [ 0.881501 0.656451 0.638351 ] [ 0.375684 0.845968 0.35452 ] [ 0.869595 0.867774 0.864764 ] [ 0.148081 0.843764 0.116185 ] [ 0.641238 0.88158 0.653669 ] [ 0.401492 0.883451 0.892639 ] [ 0.86521 0.911963 0.398882 ] [ 0.620393 0.896624 0.123505 ] [ 0.105693 0.920828 0.625655 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" 8.25579477 "source-unit" "angstrom" } "b" { "source-value" 8.26268025 "source-unit" "angstrom" } "c" { "source-value" 8.30604662 "source-unit" "angstrom" } "alpha" { "source-value" 91.30302958 "source-unit" "degree" } "beta" { "source-value" 90.71150731 "source-unit" "degree" } "gamma" { "source-value" 89.99645047 "source-unit" "degree" } }