{ "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" [ [ 0.307638 0.017949 0.721825 ] [ 0.644803 0.574717 0.220675 ] [ 0.801907 0.745079 0.889444 ] [ 0.755097 0.13946 0.221938 ] [ 0.217134 0.845616 0.315921 ] [ 0.842093 0.359723 0.638941 ] [ 0.297192 0.354025 0.399175 ] [ 0.761132 0.84792 0.550723 ] [ 0.333796 0.8497 0.030339 ] [ 0.713912 0.335767 0.917688 ] [ 0.087672 0.838758 0.061855 ] [ 0.181285 0.415526 0.556302 ] [ 0.141604 0.152157 0.310459 ] [ 0.280419 0.533727 0.290431 ] [ 0.410379 0.841837 0.893232 ] [ 0.46426 0.899401 0.516139 ] [ 0.55223 0.258843 0.793796 ] [ 0.510903 0.865876 0.159483 ] [ 0.600175 0.311451 0.427927 ] [ 0.667323 0.330496 0.061889 ] [ 0.778289 0.673262 0.661021 ] [ 0.869047 0.773556 0.390035 ] [ 0.933496 0.429206 0.881089 ] [ 0.929502 0.04451 0.634838 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.06367887 "source-unit" "angstrom" } "b" { "source-value" 6.42583763 "source-unit" "angstrom" } "c" { "source-value" 8.50557586 "source-unit" "angstrom" } "alpha" { "source-value" 96.27594897 "source-unit" "degree" } "beta" { "source-value" 95.9730608 "source-unit" "degree" } "gamma" { "source-value" 92.85018061 "source-unit" "degree" } }