{ "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" [ [ 0.399434 0.951995 0.096671 ] [ 0.212253 0.813512 0.278239 ] [ 0.029335 0.675744 0.469064 ] [ 0.900968 0.935697 0.596516 ] [ 0.351847 0.546813 0.152035 ] [ 0.533978 0.6845 0.966884 ] [ 0.160922 0.426406 0.342802 ] [ 0.843523 0.569198 0.655088 ] [ 0.65488 0.444476 0.847144 ] [ 0.100067 0.06986 0.40621 ] [ 0.779388 0.185311 0.715512 ] [ 0.599694 0.058921 0.90573 ] [ 0.187833 0.122975 0.814337 ] [ 0.688174 0.124842 0.313257 ] [ 0.320831 0.877242 0.689392 ] [ 0.119519 0.747798 0.87447 ] [ 0.816724 0.876443 0.188977 ] [ 0.625478 0.750496 0.374492 ] [ 0.439925 0.627509 0.56285 ] [ 0.249073 0.498188 0.749372 ] [ 0.937831 0.623645 0.063008 ] [ 0.065308 0.377575 0.937563 ] [ 0.745254 0.498526 0.249017 ] [ 0.567251 0.377191 0.43905 ] [ 0.366454 0.246667 0.622978 ] [ 0.871573 0.248818 0.124069 ] [ 0.999075 0.001128 0.999583 ] [ 0.497853 0.00111 0.49885 ] [ 0.230734 0.984874 0.547022 ] [ 0.083617 0.883532 0.136549 ] [ 0.042867 0.858622 0.734523 ] [ 0.729571 0.986033 0.048873 ] [ 0.535738 0.860309 0.23486 ] [ 0.58313 0.905927 0.623326 ] [ 0.213866 0.636537 0.013248 ] [ 0.353047 0.739504 0.423397 ] [ 0.387943 0.765011 0.826772 ] [ 0.013577 0.510603 0.200933 ] [ 0.174466 0.619261 0.614524 ] [ 0.899554 0.770045 0.327831 ] [ 0.669877 0.617696 0.116309 ] [ 0.713152 0.647747 0.516081 ] [ 0.858295 0.732815 0.93046 ] [ 0.484647 0.490208 0.301996 ] [ 0.512943 0.505628 0.698654 ] [ 0.301155 0.362986 0.484984 ] [ 0.131443 0.277062 0.061063 ] [ 0.332603 0.390939 0.886875 ] [ 0.102439 0.217838 0.684941 ] [ 0.831802 0.392156 0.386152 ] [ 0.982693 0.474189 0.807491 ] [ 0.608956 0.218028 0.185344 ] [ 0.799981 0.363538 0.982987 ] [ 0.636541 0.261083 0.575768 ] [ 0.416108 0.095352 0.37377 ] [ 0.464109 0.139039 0.767267 ] [ 0.26382 0.017819 0.942417 ] [ 0.958799 0.139782 0.267866 ] [ 0.762227 0.016927 0.444488 ] [ 0.91781 0.120702 0.861019 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 6.41620846 "source-unit" "angstrom" } "b" { "source-value" 7.57615538 "source-unit" "angstrom" } "c" { "source-value" 12.71086779 "source-unit" "angstrom" } "alpha" { "source-value" 95.33240421 "source-unit" "degree" } "beta" { "source-value" 99.12609308 "source-unit" "degree" } "gamma" { "source-value" 114.14664247 "source-unit" "degree" } }