{ "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" [ [ 0.44874 0.753451 0.329919 ] [ 0.55126 0.246549 0.670081 ] [ 0.014797 0.176574 0.592199 ] [ 0.985203 0.823426 0.407801 ] [ 0.512363 0.660402 0.888868 ] [ 0.487637 0.339598 0.111132 ] [ 0.999899 0.382653 0.075859 ] [ 0.500198 0.100387 0.256762 ] [ 0.499802 0.899613 0.743238 ] [ 0.000101 0.617347 0.924141 ] [ 0.805286 0.376922 0.567409 ] [ 0.803678 0.059069 0.73823 ] [ 0.196322 0.940931 0.26177 ] [ 0.740488 0.964836 0.242721 ] [ 0.74913 0.539118 0.04868 ] [ 0.268452 0.821119 0.882124 ] [ 0.259512 0.035164 0.757279 ] [ 0.731548 0.178881 0.117876 ] [ 0.22796 0.218654 0.225224 ] [ 0.77204 0.781346 0.774776 ] [ 0.25087 0.460882 0.95132 ] [ 0.750445 0.609313 0.478175 ] [ 0.194714 0.623078 0.432591 ] [ 0.249555 0.390687 0.521825 ] [ 0.364676 0.593726 0.952688 ] [ 0.625041 0.982995 0.659345 ] [ 0.376555 0.013207 0.703435 ] [ 0.872416 0.209524 0.875342 ] [ 0.349329 0.438733 0.083857 ] [ 0.862653 0.944148 0.794638 ] [ 0.357327 0.937069 0.047007 ] [ 0.87221 0.497946 0.009678 ] [ 0.881335 0.975019 0.370758 ] [ 0.623445 0.986793 0.296565 ] [ 0.379971 0.782115 0.82317 ] [ 0.854281 0.066804 0.624395 ] [ 0.113308 0.254957 0.127671 ] [ 0.394173 0.492518 0.67149 ] [ 0.909961 0.305161 0.539298 ] [ 0.846732 0.520868 0.530883 ] [ 0.18655 0.892709 0.781609 ] [ 0.620029 0.217885 0.17683 ] [ 0.337069 0.174613 0.907393 ] [ 0.153268 0.479132 0.469117 ] [ 0.605827 0.507482 0.32851 ] [ 0.118665 0.024981 0.629242 ] [ 0.133563 0.680637 0.841231 ] [ 0.83548 0.678995 0.202828 ] [ 0.127584 0.790476 0.124658 ] [ 0.144162 0.246914 0.506185 ] [ 0.090039 0.694839 0.460702 ] [ 0.365082 0.218185 0.198224 ] [ 0.374959 0.017005 0.340655 ] [ 0.834229 0.439841 0.729712 ] [ 0.16452 0.321005 0.797172 ] [ 0.369615 0.724771 0.534234 ] [ 0.165771 0.560159 0.270288 ] [ 0.137347 0.055852 0.205362 ] [ 0.630385 0.275229 0.465766 ] [ 0.690877 0.662072 0.598798 ] [ 0.145719 0.933196 0.375605 ] [ 0.634918 0.781815 0.801776 ] [ 0.642673 0.062931 0.952993 ] [ 0.635324 0.406274 0.047312 ] [ 0.81345 0.107291 0.218391 ] [ 0.662931 0.825387 0.092607 ] [ 0.886692 0.745043 0.872329 ] [ 0.866437 0.319363 0.158769 ] [ 0.309123 0.337928 0.401202 ] [ 0.855838 0.753086 0.493815 ] [ 0.12779 0.502054 0.990322 ] [ 0.650671 0.561267 0.916143 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 10.24311864 "source-unit" "angstrom" } "b" { "source-value" 10.31467681 "source-unit" "angstrom" } "c" { "source-value" 10.74364009 "source-unit" "angstrom" } "alpha" { "source-value" 108.80084681 "source-unit" "degree" } "beta" { "source-value" 111.21668937 "source-unit" "degree" } "gamma" { "source-value" 105.20850092 "source-unit" "degree" } }