{ "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" [ [ 0.195761 0.265322 0.867796 ] [ 0.634698 0.943887 0.901772 ] [ 0.928167 0.660909 0.853379 ] [ 0.329831 0.797106 0.591436 ] [ 0.671366 0.204878 0.409973 ] [ 0.069993 0.338568 0.144231 ] [ 0.363189 0.056419 0.096342 ] [ 0.803913 0.733798 0.136744 ] [ 0.310941 0.649441 0.968491 ] [ 0.288689 0.15002 0.436791 ] [ 0.715413 0.852106 0.562177 ] [ 0.687582 0.349669 0.032218 ] [ 0.217745 0.953623 0.752143 ] [ 0.492978 0.546072 0.755873 ] [ 0.807631 0.254512 0.762445 ] [ 0.190387 0.742795 0.237323 ] [ 0.50667 0.449762 0.247586 ] [ 0.785387 0.052467 0.244857 ] [ 0.363853 0.153902 0.894673 ] [ 0.334325 0.504077 0.818886 ] [ 0.323844 0.839923 0.810325 ] [ 0.691418 0.551143 0.901499 ] [ 0.747344 0.211431 0.903235 ] [ 0.577989 0.748207 0.734077 ] [ 0.200149 0.972095 0.583666 ] [ 0.378178 0.39328 0.59522 ] [ 0.98462 0.470861 0.820346 ] [ 0.891657 0.131463 0.752811 ] [ 0.615631 0.206516 0.592736 ] [ 0.004391 0.856464 0.746819 ] [ 0.001579 0.148206 0.256091 ] [ 0.38143 0.79001 0.407262 ] [ 0.108567 0.868509 0.244143 ] [ 0.011231 0.528 0.177385 ] [ 0.617805 0.602715 0.408055 ] [ 0.791724 0.034474 0.410011 ] [ 0.431516 0.248817 0.273592 ] [ 0.252736 0.786327 0.095826 ] [ 0.303372 0.434533 0.102465 ] [ 0.682556 0.169913 0.181761 ] [ 0.663393 0.495931 0.18302 ] [ 0.64035 0.851847 0.104517 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Cr" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.40615555 "source-unit" "angstrom" } "b" { "source-value" 8.45468264 "source-unit" "angstrom" } "c" { "source-value" 9.26572074 "source-unit" "angstrom" } "alpha" { "source-value" 91.0152281 "source-unit" "degree" } "beta" { "source-value" 116.31102329 "source-unit" "degree" } "gamma" { "source-value" 119.37233102 "source-unit" "degree" } }