{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0.979799 0.791296 0.259784 ] [ 0.646466 0.124629 0.593117 ] [ 0.313133 0.457962 0.92645 ] [ 0.208704 0.188504 0.259784 ] [ 0.875371 0.521837 0.593117 ] [ 0.542038 0.85517 0.92645 ] [ 0.811496 0.020201 0.259784 ] [ 0.478163 0.353534 0.593117 ] [ 0.14483 0.686867 0.92645 ] [ 0.020201 0.208704 0.740216 ] [ 0.686867 0.542038 0.07355 ] [ 0.353534 0.875371 0.406883 ] [ 0.791296 0.811496 0.740216 ] [ 0.457962 0.14483 0.07355 ] [ 0.124629 0.478163 0.406883 ] [ 0.188504 0.979799 0.740216 ] [ 0.85517 0.313133 0.07355 ] [ 0.521837 0.646466 0.406883 ] [ 0.987575 0.791442 0.580536 ] [ 0.654241 0.124776 0.913869 ] [ 0.320908 0.458109 0.247202 ] [ 0.803868 0.012425 0.580536 ] [ 0.470535 0.345759 0.913869 ] [ 0.137201 0.679092 0.247202 ] [ 0.012425 0.208558 0.419464 ] [ 0.679092 0.541891 0.752798 ] [ 0.345759 0.875224 0.086131 ] [ 0.791442 0.803868 0.419464 ] [ 0.458109 0.137201 0.752798 ] [ 0.124776 0.470535 0.086131 ] [ 0.196132 0.987575 0.419464 ] [ 0.862799 0.320908 0.752798 ] [ 0.529465 0.654241 0.086131 ] [ 0.208558 0.196132 0.580536 ] [ 0.875224 0.529465 0.913869 ] [ 0.541891 0.862799 0.247202 ] [ 0.55082 0.861945 0.582401 ] [ 0.217487 0.195278 0.915734 ] [ 0.884153 0.528612 0.249067 ] [ 0.138055 0.688875 0.582401 ] [ 0.804722 0.022209 0.915734 ] [ 0.471388 0.355542 0.249067 ] [ 0.688875 0.55082 0.417599 ] [ 0.355542 0.884153 0.750933 ] [ 0.022209 0.217487 0.084266 ] [ 0.44918 0.138055 0.417599 ] [ 0.115847 0.471388 0.750933 ] [ 0.782513 0.804722 0.084266 ] [ 0.861945 0.311125 0.417599 ] [ 0.528612 0.644458 0.750933 ] [ 0.195278 0.977791 0.084266 ] [ 0.311125 0.44918 0.582401 ] [ 0.977791 0.782513 0.915734 ] [ 0.644458 0.115847 0.249067 ] [ 0.781697 0.878232 0.563143 ] [ 0.448363 0.211566 0.896477 ] [ 0.11503 0.544899 0.22981 ] [ 0.129217 0.927291 0.250071 ] [ 0.795883 0.260624 0.583404 ] [ 0.46255 0.593958 0.916737 ] [ 0.798074 0.870783 0.250071 ] [ 0.464741 0.204117 0.583404 ] [ 0.131408 0.53745 0.916737 ] [ 0.072709 0.201926 0.250071 ] [ 0.739376 0.535259 0.583404 ] [ 0.406042 0.868592 0.916737 ] [ 0.870783 0.072709 0.749929 ] [ 0.53745 0.406042 0.083263 ] [ 0.204117 0.739376 0.416596 ] [ 0.201926 0.129217 0.749929 ] [ 0.868592 0.46255 0.083263 ] [ 0.535259 0.795883 0.416596 ] [ 0.927291 0.798074 0.749929 ] [ 0.593958 0.131408 0.083263 ] [ 0.260624 0.464741 0.416596 ] [ 0.121768 0.903464 0.563143 ] [ 0.788434 0.236798 0.896477 ] [ 0.455101 0.570131 0.22981 ] [ 0.333132 0.005579 0.40666 ] [ 0.999799 0.338912 0.739993 ] [ 0.666465 0.672245 0.073326 ] [ 0.096536 0.218303 0.563143 ] [ 0.763202 0.551637 0.896477 ] [ 0.429869 0.88497 0.22981 ] [ 0.878232 0.096536 0.436857 ] [ 0.544899 0.429869 0.77019 ] [ 0.211566 0.763202 0.103523 ] [ 0.218303 0.121768 0.436857 ] [ 0.88497 0.455101 0.77019 ] [ 0.551637 0.788434 0.103523 ] [ 0.666868 0.994421 0.59334 ] [ 0.333535 0.327755 0.926674 ] [ 0.000201 0.661088 0.260007 ] [ 0.005579 0.672447 0.59334 ] [ 0.672245 0.00578 0.926674 ] [ 0.338912 0.339113 0.260007 ] [ 0.327553 0.333132 0.59334 ] [ 0.99422 0.666465 0.926674 ] [ 0.660887 0.999799 0.260007 ] [ 0.237157 0.456239 0.735967 ] [ 0.903823 0.789572 0.069301 ] [ 0.57049 0.122905 0.402634 ] [ 0.994421 0.327553 0.40666 ] [ 0.661088 0.660887 0.739993 ] [ 0.327755 0.99422 0.073326 ] [ 0.672447 0.666868 0.40666 ] [ 0.339113 0.000201 0.739993 ] [ 0.00578 0.333535 0.073326 ] [ 0.780918 0.237157 0.264033 ] [ 0.447585 0.57049 0.597366 ] [ 0.114251 0.903823 0.930699 ] [ 0.543761 0.780918 0.735967 ] [ 0.210428 0.114251 0.069301 ] [ 0.877095 0.447585 0.402634 ] [ 0.219082 0.762843 0.735967 ] [ 0.885749 0.096177 0.069301 ] [ 0.552415 0.42951 0.402634 ] [ 0.762843 0.543761 0.264033 ] [ 0.42951 0.877095 0.597366 ] [ 0.096177 0.210428 0.930699 ] [ 0.456239 0.219082 0.264033 ] [ 0.122905 0.552415 0.597366 ] [ 0.789572 0.885749 0.930699 ] [ 0.903464 0.781697 0.436857 ] [ 0.570131 0.11503 0.77019 ] [ 0.236798 0.448363 0.103523 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" "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" 13.9563627511 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }