{ "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" [ [ 0.006607 0.496794 0.248444 ] [ 0.235951 0.255751 0.25406 ] [ 0.525845 0.9772 0.269881 ] [ 0.474155 0.0228 0.730119 ] [ 0.764049 0.744249 0.74594 ] [ 0.993393 0.503206 0.751556 ] [ 0.688296 0.440793 0.332799 ] [ 0.180012 0.933474 0.332874 ] [ 0.819988 0.066526 0.667126 ] [ 0.311704 0.559207 0.667201 ] [ 0.94287 0.209508 0.419758 ] [ 0.454374 0.695398 0.422932 ] [ 0.05713 0.790492 0.580242 ] [ 0.545626 0.304602 0.577068 ] [ 0.507925 0.249815 0.049518 ] [ 0.008027 0.75136 0.047657 ] [ 0.991973 0.24864 0.952343 ] [ 0.492075 0.750185 0.950482 ] [ 0.141844 0.90811 0.107257 ] [ 0.648971 0.399716 0.103281 ] [ 0.083006 0.33771 0.10098 ] [ 0.47035 0.225717 0.172825 ] [ 0.577771 0.856169 0.091352 ] [ 0.979966 0.700475 0.160881 ] [ 0.040001 0.117954 0.328158 ] [ 0.536084 0.580994 0.325114 ] [ 0.368283 0.791141 0.321639 ] [ 0.837623 0.293336 0.309904 ] [ 0.400059 0.166256 0.409588 ] [ 0.304592 0.563923 0.45416 ] [ 0.801841 0.080602 0.456036 ] [ 0.919575 0.640724 0.41375 ] [ 0.080425 0.359276 0.58625 ] [ 0.198159 0.919398 0.543964 ] [ 0.695408 0.436077 0.54584 ] [ 0.599941 0.833744 0.590412 ] [ 0.162377 0.706664 0.690096 ] [ 0.463916 0.419006 0.674886 ] [ 0.631717 0.208859 0.678361 ] [ 0.959999 0.882046 0.671842 ] [ 0.020034 0.299525 0.839119 ] [ 0.422229 0.143831 0.908648 ] [ 0.52965 0.774283 0.827175 ] [ 0.916994 0.66229 0.89902 ] [ 0.858156 0.09189 0.892743 ] [ 0.351029 0.600284 0.896719 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "C" "C" "C" "C" "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" 8.20153494 "source-unit" "angstrom" } "b" { "source-value" 8.2718549 "source-unit" "angstrom" } "c" { "source-value" 9.4074604 "source-unit" "angstrom" } "alpha" { "source-value" 106.17155301 "source-unit" "degree" } "beta" { "source-value" 107.60812114 "source-unit" "degree" } "gamma" { "source-value" 104.13594304 "source-unit" "degree" } }