{ "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" [ [ 0.714444 0.143106 0.000314 ] [ 0.705201 0.647715 0.001562 ] [ 0.294863 0.855638 0.999744 ] [ 0.626644 0.185545 0.668609 ] [ 0.037345 0.48037 0.667385 ] [ 0.30052 0.348977 0.001062 ] [ 0.958129 0.020011 0.331038 ] [ 0.038491 0.97819 0.667154 ] [ 0.377558 0.31508 0.332753 ] [ 0.625667 0.690359 0.667382 ] [ 0.372731 0.813285 0.333072 ] [ 0.961993 0.516936 0.331116 ] [ 0.39535 0.651375 0.797335 ] [ 0.594581 0.353773 0.89737 ] [ 0.933854 0.686485 0.869316 ] [ 0.065417 0.316158 0.434115 ] [ 0.729682 0.979389 0.760387 ] [ 0.034689 0.286819 0.76952 ] [ 0.631575 0.381368 0.567201 ] [ 0.291467 0.047332 0.898432 ] [ 0.266918 0.019108 0.53465 ] [ 0.73124 0.983525 0.462957 ] [ 0.698948 0.945817 0.103466 ] [ 0.369238 0.62173 0.43689 ] [ 0.965597 0.714073 0.233371 ] [ 0.933761 0.6818 0.563519 ] [ 0.265994 0.017667 0.231554 ] [ 0.394752 0.644852 0.099971 ] [ 0.078892 0.321245 0.134634 ] [ 0.60446 0.352273 0.20412 ] ] } "species" { "source-value" [ "Mg" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.49697731 "source-unit" "angstrom" } "b" { "source-value" 7.53401376 "source-unit" "angstrom" } "c" { "source-value" 8.88717515 "source-unit" "angstrom" } "alpha" { "source-value" 113.23826161 "source-unit" "degree" } "beta" { "source-value" 105.5396211 "source-unit" "degree" } "gamma" { "source-value" 95.31664474 "source-unit" "degree" } }