{ "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" [ [ 0.99627 0.003139 0.125151 ] [ 0.995663 0.002865 0.625481 ] [ 0.711085 0.288514 0.37315 ] [ 0.499668 0.498521 0.249074 ] [ 0.715062 0.291382 0.877866 ] [ 0.49916 0.499853 0.499298 ] [ 0.287502 0.71087 0.124137 ] [ 0.500542 0.501498 0.750929 ] [ 0.501121 0.500366 0.001086 ] [ 0.288246 0.710411 0.624159 ] [ 0.004955 0.996983 0.372134 ] [ 0.005064 0.998214 0.876042 ] [ 0.940549 0.62947 0.183705 ] [ 0.374823 0.056289 0.065145 ] [ 0.05786 0.371016 0.314971 ] [ 0.05716 0.375451 0.816508 ] [ 0.942105 0.623557 0.680118 ] [ 0.621047 0.942948 0.429507 ] [ 0.623568 0.942874 0.931727 ] [ 0.380146 0.054928 0.569098 ] [ 0.71438 0.287277 0.124795 ] [ 0.859699 0.665758 0.430777 ] [ 0.665527 0.865467 0.182882 ] [ 0.714344 0.287399 0.62497 ] [ 0.859333 0.664311 0.932631 ] [ 0.662285 0.862484 0.681881 ] [ 0.339378 0.133592 0.316294 ] [ 0.135888 0.335322 0.067213 ] [ 0.283196 0.710363 0.374237 ] [ 0.338226 0.133134 0.818197 ] [ 0.139131 0.339185 0.56807 ] [ 0.286368 0.713591 0.875264 ] [ 0.984514 0.662201 0.048004 ] [ 0.946068 0.613593 0.335505 ] [ 0.743036 0.174173 0.016559 ] [ 0.986773 0.661 0.543855 ] [ 0.827334 0.264016 0.237457 ] [ 0.850848 0.85526 0.203066 ] [ 0.737085 0.461909 0.114487 ] [ 0.840336 0.849046 0.449994 ] [ 0.946337 0.614382 0.838171 ] [ 0.741515 0.173737 0.516737 ] [ 0.827952 0.264451 0.737318 ] [ 0.845245 0.843659 0.6956 ] [ 0.701014 0.546495 0.397399 ] [ 0.609974 0.948388 0.08652 ] [ 0.657404 0.98968 0.295509 ] [ 0.538421 0.259303 0.1348 ] [ 0.735859 0.462323 0.615232 ] [ 0.549202 0.704903 0.149281 ] [ 0.84049 0.847538 0.950695 ] [ 0.700543 0.544629 0.89752 ] [ 0.601715 0.950974 0.587541 ] [ 0.453823 0.295452 0.351941 ] [ 0.662936 0.987068 0.796258 ] [ 0.538267 0.260934 0.634281 ] [ 0.460305 0.735754 0.367015 ] [ 0.340415 0.012571 0.20031 ] [ 0.544051 0.703511 0.64756 ] [ 0.402999 0.046546 0.41148 ] [ 0.297446 0.451106 0.101654 ] [ 0.146708 0.151392 0.048903 ] [ 0.452124 0.294778 0.85232 ] [ 0.258456 0.536285 0.38573 ] [ 0.462372 0.735653 0.86576 ] [ 0.343466 0.01031 0.704633 ] [ 0.404494 0.046958 0.914349 ] [ 0.299085 0.456709 0.603485 ] [ 0.15581 0.143723 0.303348 ] [ 0.173357 0.735217 0.26193 ] [ 0.257122 0.826677 0.482511 ] [ 0.051089 0.391634 0.163515 ] [ 0.15768 0.15752 0.556067 ] [ 0.259491 0.538577 0.885709 ] [ 0.154425 0.142688 0.803709 ] [ 0.173928 0.742211 0.766283 ] [ 0.014956 0.338207 0.451876 ] [ 0.263602 0.82724 0.986852 ] [ 0.048754 0.400806 0.662246 ] [ 0.01182 0.341784 0.952535 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "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" 8.63479844 "source-unit" "angstrom" } "b" { "source-value" 8.67505812 "source-unit" "angstrom" } "c" { "source-value" 12.64478449 "source-unit" "angstrom" } "alpha" { "source-value" 105.58365868 "source-unit" "degree" } "beta" { "source-value" 105.90136253 "source-unit" "degree" } "gamma" { "source-value" 95.387995 "source-unit" "degree" } }