{ "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" [ [ 0.004911 0.240116 0.131058 ] [ 0.48685 0.239119 0.125143 ] [ 0.024686 0.241834 0.62828 ] [ 0.51315 0.760881 0.874857 ] [ 0.995089 0.759884 0.868942 ] [ 0.975314 0.758166 0.37172 ] [ 0.743885 0.345642 0.853757 ] [ 0.742532 0.348353 0.361532 ] [ 0.256115 0.654358 0.146243 ] [ 0.257468 0.651647 0.638468 ] [ 0.249135 0.425644 0.896714 ] [ 0.245955 0.428063 0.38997 ] [ 0.750865 0.574356 0.103286 ] [ 0.754045 0.571937 0.61003 ] [ 0.753214 0.076771 0.884267 ] [ 0.746206 0.077662 0.384958 ] [ 0.246786 0.923229 0.115733 ] [ 0.253794 0.922338 0.615042 ] [ 0.240276 0.060457 0.100968 ] [ 0.246595 0.058649 0.605165 ] [ 0.751387 0.141293 0.77304 ] [ 0.736396 0.146771 0.273125 ] [ 0.747069 0.175592 0.981261 ] [ 0.749398 0.175556 0.481772 ] [ 0.060854 0.327171 0.860036 ] [ 0.436243 0.330202 0.870528 ] [ 0.058063 0.326705 0.35487 ] [ 0.432331 0.336333 0.350284 ] [ 0.241788 0.463189 0.046011 ] [ 0.74709 0.425806 0.17632 ] [ 0.242408 0.465644 0.537319 ] [ 0.761868 0.422776 0.680665 ] [ 0.25291 0.574194 0.82368 ] [ 0.758212 0.536811 0.953989 ] [ 0.238132 0.577224 0.319335 ] [ 0.757592 0.534356 0.462681 ] [ 0.563757 0.669798 0.129472 ] [ 0.939146 0.672829 0.139964 ] [ 0.567669 0.663667 0.649716 ] [ 0.941937 0.673295 0.64513 ] [ 0.252931 0.824408 0.018739 ] [ 0.250602 0.824444 0.518228 ] [ 0.248613 0.858707 0.22696 ] [ 0.263604 0.853229 0.726875 ] [ 0.759724 0.939543 0.899032 ] [ 0.753405 0.941351 0.394835 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "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" 6.57844405 "source-unit" "angstrom" } "b" { "source-value" 8.98087399 "source-unit" "angstrom" } "c" { "source-value" 10.38662615 "source-unit" "angstrom" } "alpha" { "source-value" 91.49348393 "source-unit" "degree" } "beta" { "source-value" 90.38236648 "source-unit" "degree" } "gamma" { "source-value" 91.23872706 "source-unit" "degree" } }