{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.662396 0.675295 0.921611 ] [ 0.337604 0.175295 0.578389 ] [ 0.662396 0.824705 0.421611 ] [ 0.337604 0.324705 0.078389 ] [ 0.136213 0.63612 0.386276 ] [ 0.863787 0.13612 0.113724 ] [ 0.136213 0.86388 0.886276 ] [ 0.863787 0.36388 0.613724 ] [ 0.377447 0.707612 0.581535 ] [ 0.622553 0.207612 0.918465 ] [ 0.377447 0.792388 0.081535 ] [ 0.622553 0.292388 0.418465 ] [ 0.935694 0.686185 0.987466 ] [ 0.616458 0.178151 0.66332 ] [ 0.623425 0.749752 0.765224 ] [ 0.199611 0.535374 0.300917 ] [ 0.30947 0.103359 0.432131 ] [ 0.050839 0.028877 0.131442 ] [ 0.650865 0.485404 0.860407 ] [ 0.334524 0.371312 0.529868 ] [ 0.665476 0.871312 0.970132 ] [ 0.00117 0.265368 0.221571 ] [ 0.349135 0.985404 0.639593 ] [ 0.99883 0.765368 0.278429 ] [ 0.376575 0.249752 0.734776 ] [ 0.383542 0.678151 0.83668 ] [ 0.949161 0.528877 0.368558 ] [ 0.69053 0.603359 0.067869 ] [ 0.800389 0.035374 0.199083 ] [ 0.064306 0.186185 0.512534 ] [ 0.935694 0.813815 0.487466 ] [ 0.199611 0.964626 0.800917 ] [ 0.30947 0.396641 0.932131 ] [ 0.050839 0.471123 0.631442 ] [ 0.616458 0.321849 0.16332 ] [ 0.623425 0.750248 0.265224 ] [ 0.00117 0.234632 0.721571 ] [ 0.650865 0.014596 0.360407 ] [ 0.99883 0.734632 0.778429 ] [ 0.334524 0.128688 0.029868 ] [ 0.665476 0.628688 0.470132 ] [ 0.349135 0.514596 0.139593 ] [ 0.949161 0.971123 0.868558 ] [ 0.69053 0.896641 0.567869 ] [ 0.800389 0.464626 0.699083 ] [ 0.376575 0.250248 0.234776 ] [ 0.383542 0.821849 0.33668 ] [ 0.064306 0.313815 0.012534 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "As" "As" "As" "As" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.14838299 "source-unit" "angstrom" } "b" { "source-value" 9.29310081 "source-unit" "angstrom" } "c" { "source-value" 12.96566741 "source-unit" "angstrom" } "beta" { "source-value" 122.50177882 "source-unit" "degree" } }