{ "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" [ [ 0.357601 0.155175 0.756406 ] [ 0.914205 0.607812 0.752277 ] [ 0.085176 0.370821 0.228415 ] [ 0.655117 0.847663 0.253346 ] [ 0.457569 0.07758 0.579666 ] [ 0.424196 0.045894 0.926004 ] [ 0.651832 0.517686 0.611356 ] [ 0.000577 0.099559 0.061706 ] [ 0.232808 0.282424 0.752714 ] [ 0.031709 0.453346 0.752239 ] [ 0.939272 0.555664 0.248888 ] [ 0.784532 0.727003 0.252981 ] [ 0.981781 0.869328 0.893398 ] [ 0.421201 0.520745 0.446671 ] [ 0.571922 0.949679 0.078569 ] [ 0.550122 0.927455 0.425175 ] [ 0.282479 0.079692 0.553524 ] [ 0.680609 0.046808 0.239709 ] [ 0.525691 0.107276 0.456749 ] [ 0.488289 0.384796 0.522149 ] [ 0.121461 0.028125 0.968434 ] [ 0.991074 0.150662 0.31735 ] [ 0.554269 0.189643 0.740811 ] [ 0.602836 0.018917 0.956955 ] [ 0.431092 0.223218 0.958483 ] [ 0.792273 0.492186 0.55793 ] [ 0.969359 0.29003 0.608066 ] [ 0.728656 0.555481 0.780721 ] [ 0.137633 0.289168 0.594885 ] [ 0.957869 0.251894 0.037039 ] [ 0.795423 0.580584 0.121515 ] [ 0.099826 0.595527 0.717689 ] [ 0.913283 0.404003 0.283204 ] [ 0.181723 0.413 0.865329 ] [ 0.008092 0.733445 0.951481 ] [ 0.325453 0.455261 0.148864 ] [ 0.088673 0.566227 0.207801 ] [ 0.926001 0.701896 0.38099 ] [ 0.275417 0.56013 0.474566 ] [ 0.576207 0.774767 0.050777 ] [ 0.983688 0.97987 0.246129 ] [ 0.390491 0.970629 0.043188 ] [ 0.456352 0.81299 0.265801 ] [ 0.930239 0.790563 0.722295 ] [ 0.258954 0.319747 0.196138 ] [ 0.847744 0.953148 0.930328 ] [ 0.581955 0.660271 0.578512 ] [ 0.479244 0.896928 0.545522 ] [ 0.310236 0.957109 0.764011 ] [ 0.154627 0.256961 0.340124 ] [ 0.497389 0.512587 0.245376 ] [ 0.727274 0.928723 0.455546 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.84670713 "source-unit" "angstrom" } "b" { "source-value" 11.87128132 "source-unit" "angstrom" } "c" { "source-value" 13.19741591 "source-unit" "angstrom" } "alpha" { "source-value" 107.11557254 "source-unit" "degree" } "beta" { "source-value" 107.42382116 "source-unit" "degree" } "gamma" { "source-value" 98.24994712 "source-unit" "degree" } }