{ "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" [ [ 0.846813 0.064219 0.389469 ] [ 0.152047 0.435367 0.111205 ] [ 0.652599 0.18815 0.859942 ] [ 0.348317 0.312885 0.639248 ] [ 0.652531 0.688293 0.357234 ] [ 0.347492 0.811673 0.142867 ] [ 0.846664 0.562547 0.890833 ] [ 0.151682 0.936469 0.608098 ] [ 0.167068 0.022782 0.789702 ] [ 0.667774 0.772114 0.54116 ] [ 0.332966 0.725069 0.960666 ] [ 0.662958 0.270036 0.042227 ] [ 0.337068 0.228803 0.458208 ] [ 0.162654 0.521911 0.29338 ] [ 0.838637 0.475487 0.709995 ] [ 0.837361 0.977267 0.207006 ] [ 0.328756 0.039379 0.297023 ] [ 0.828303 0.287694 0.547272 ] [ 0.670707 0.461251 0.203018 ] [ 0.171942 0.213 0.953633 ] [ 0.830309 0.785747 0.048471 ] [ 0.329072 0.537404 0.796596 ] [ 0.169635 0.714183 0.45155 ] [ 0.67043 0.963687 0.702601 ] [ 0.588893 0.0135 0.307454 ] [ 0.18306 0.169803 0.345951 ] [ 0.703278 0.176422 0.489979 ] [ 0.296301 0.326287 0.010639 ] [ 0.78568 0.081375 0.759444 ] [ 0.815463 0.329552 0.154225 ] [ 0.318162 0.081968 0.905544 ] [ 0.088994 0.262729 0.557271 ] [ 0.410027 0.486858 0.192705 ] [ 0.911934 0.238076 0.942682 ] [ 0.683996 0.417536 0.596636 ] [ 0.20722 0.423742 0.739012 ] [ 0.796753 0.574899 0.258979 ] [ 0.31812 0.581416 0.403967 ] [ 0.090242 0.763369 0.061847 ] [ 0.589026 0.513242 0.808138 ] [ 0.909302 0.736703 0.438894 ] [ 0.680586 0.917963 0.095743 ] [ 0.181338 0.6675 0.844432 ] [ 0.203255 0.926961 0.240352 ] [ 0.714476 0.671747 0.990856 ] [ 0.287603 0.827855 0.508669 ] [ 0.821445 0.828862 0.656852 ] [ 0.411057 0.986224 0.688323 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.23737881 "source-unit" "angstrom" } "b" { "source-value" 6.06645439 "source-unit" "angstrom" } "c" { "source-value" 16.14968777 "source-unit" "angstrom" } "alpha" { "source-value" 81.76241014 "source-unit" "degree" } "beta" { "source-value" 89.15731455 "source-unit" "degree" } "gamma" { "source-value" 88.6989028 "source-unit" "degree" } }