{ "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" [ [ 0.835392 0.996372 0.009132 ] [ 0.750916 0.666761 0.66798 ] [ 0.249659 0.666554 0.668003 ] [ 0.751557 0.334866 0.322331 ] [ 0.249547 0.33463 0.323177 ] [ 0.749959 0.49748 0.001917 ] [ 0.748352 0.00123 0.496509 ] [ 0.249519 0.501932 0.496861 ] [ 0.75092 0.50177 0.49665 ] [ 0.252214 0.000968 0.497816 ] [ 0.000405 0.63045 0.106879 ] [ 0.000578 0.116106 0.262868 ] [ 0.250688 0.497203 0.002196 ] [ 0.500144 0.257669 0.108495 ] [ 0.50015 0.732524 0.895069 ] [ 0.999327 0.896627 0.729794 ] [ 0.999332 0.378564 0.886437 ] [ 0.500465 0.37318 0.731585 ] [ 0.500469 0.884159 0.37899 ] [ 0.999889 0.268831 0.621743 ] [ 0.998838 0.735662 0.378568 ] [ 0.50035 0.102871 0.632884 ] [ 0.500138 0.624329 0.265168 ] [ 0.993551 0.789596 0.915009 ] [ 0.501965 0.922396 0.780066 ] [ 0.358206 0.656268 0.863128 ] [ 0.641947 0.656182 0.863247 ] [ 0.141573 0.487145 0.857222 ] [ 0.858348 0.48935 0.855728 ] [ 0.858322 0.866294 0.650232 ] [ 0.141604 0.866122 0.65187 ] [ 0.50344 0.30267 0.91417 ] [ 0.996076 0.306054 0.766688 ] [ 0.359561 0.854775 0.489912 ] [ 0.640737 0.85418 0.490642 ] [ 0.359585 0.483714 0.649571 ] [ 0.640686 0.483857 0.64888 ] [ 0.140123 0.651463 0.489399 ] [ 0.859573 0.649811 0.492305 ] [ 0.501944 0.229262 0.692947 ] [ 0.993336 0.920274 0.309711 ] [ 0.996116 0.080167 0.693583 ] [ 0.501934 0.763627 0.309458 ] [ 0.143225 0.344757 0.518306 ] [ 0.856916 0.344942 0.517324 ] [ 0.358293 0.517817 0.343541 ] [ 0.641994 0.517791 0.343449 ] [ 0.359734 0.130932 0.527116 ] [ 0.641066 0.130538 0.527296 ] [ 0.992966 0.701272 0.236333 ] [ 0.501921 0.698888 0.075985 ] [ 0.850716 0.142563 0.350238 ] [ 0.149577 0.141889 0.351154 ] [ 0.148466 0.515928 0.137381 ] [ 0.85144 0.516609 0.137119 ] [ 0.354674 0.347215 0.13758 ] [ 0.646269 0.346866 0.137031 ] [ 0.503651 0.057627 0.236414 ] [ 0.993359 0.230417 0.058914 ] ] } "species" { "source-value" [ "K" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 9.50690159 "source-unit" "angstrom" } "b" { "source-value" 9.85865113 "source-unit" "angstrom" } "c" { "source-value" 9.88681842 "source-unit" "angstrom" } "alpha" { "source-value" 60.34304044 "source-unit" "degree" } "beta" { "source-value" 89.9878279 "source-unit" "degree" } "gamma" { "source-value" 89.98077092 "source-unit" "degree" } }