{ "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" [ [ 0.931136 0.192332 0.89436 ] [ 0.439623 0.693485 0.89623 ] [ 0.71698 0.753234 0.718819 ] [ 0.28302 0.246766 0.281181 ] [ 0.068864 0.807668 0.10564 ] [ 0.560377 0.306515 0.10377 ] [ 0.065603 0.808138 0.666172 ] [ 0.557011 0.305427 0.671 ] [ 0.934397 0.191862 0.333828 ] [ 0.442989 0.694573 0.329 ] [ 0.307241 0.547557 0.576063 ] [ 0.79975 0.050323 0.579526 ] [ 0.692759 0.452443 0.423937 ] [ 0.20025 0.949677 0.420474 ] [ 0.752762 0.505221 0.959138 ] [ 0.243493 0.00628 0.960222 ] [ 0.756507 0.99372 0.039778 ] [ 0.247238 0.494779 0.040862 ] [ 0.107668 0.863688 0.925702 ] [ 0.620431 0.363667 0.929605 ] [ 0.661307 0.875178 0.900084 ] [ 0.768213 0.529959 0.831521 ] [ 0.135333 0.384503 0.90474 ] [ 0.277749 0.021163 0.837294 ] [ 0.900327 0.967711 0.692445 ] [ 0.731411 0.17192 0.689032 ] [ 0.223791 0.658385 0.676304 ] [ 0.419892 0.481773 0.696901 ] [ 0.831695 0.608529 0.579903 ] [ 0.928861 0.164044 0.52737 ] [ 0.442266 0.669915 0.531587 ] [ 0.352184 0.09478 0.574536 ] [ 0.647816 0.90522 0.425464 ] [ 0.557734 0.330085 0.468413 ] [ 0.071139 0.835956 0.47263 ] [ 0.168305 0.391471 0.420097 ] [ 0.580108 0.518227 0.303099 ] [ 0.776209 0.341615 0.323696 ] [ 0.268589 0.82808 0.310968 ] [ 0.099673 0.032289 0.307555 ] [ 0.722251 0.978837 0.162706 ] [ 0.864667 0.615497 0.09526 ] [ 0.231787 0.470041 0.168479 ] [ 0.338693 0.124822 0.099916 ] [ 0.379569 0.636333 0.070395 ] [ 0.892332 0.136312 0.074298 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 8.2624905 "source-unit" "angstrom" } "b" { "source-value" 8.27949367 "source-unit" "angstrom" } "c" { "source-value" 9.44364456 "source-unit" "angstrom" } "alpha" { "source-value" 106.58364631 "source-unit" "degree" } "beta" { "source-value" 107.26796771 "source-unit" "degree" } "gamma" { "source-value" 103.21419374 "source-unit" "degree" } }