{ "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" [ [ 0.740499 0.35662 0.128831 ] [ 0.741644 0.886942 0.627949 ] [ 0.506545 0.239445 0.745753 ] [ 0.505117 0.768534 0.246371 ] [ 0.253238 0.131147 0.37441 ] [ 0.251807 0.619463 0.874759 ] [ 0.999674 0.504587 0.500914 ] [ 0.999565 0.993551 0.000662 ] [ 0.501806 0.063102 0.187751 ] [ 0.563597 0.093979 0.6565 ] [ 0.436456 0.214906 0.03326 ] [ 0.995182 0.18769 0.563209 ] [ 0.987983 0.679342 0.064195 ] [ 0.066741 0.031834 0.718512 ] [ 0.063462 0.345507 0.407366 ] [ 0.066652 0.533057 0.217591 ] [ 0.435393 0.402621 0.839774 ] [ 0.438483 0.908953 0.342457 ] [ 0.435343 0.71799 0.533689 ] [ 0.939538 0.155896 0.094168 ] [ 0.503635 0.562164 0.688073 ] [ 0.492947 0.443867 0.310343 ] [ 0.065581 0.840302 0.906862 ] [ 0.565461 0.593197 0.156723 ] [ 0.564893 0.283511 0.467828 ] [ 0.93613 0.467698 0.781551 ] [ 0.930278 0.663038 0.593326 ] [ 0.937755 0.968338 0.281377 ] [ 0.003626 0.309534 0.938105 ] [ 0.004967 0.816401 0.437259 ] [ 0.502174 0.93623 0.812517 ] [ 0.563827 0.780552 0.967915 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 5.07584883 "source-unit" "angstrom" } "b" { "source-value" 5.32478101 "source-unit" "angstrom" } "c" { "source-value" 16.87531621 "source-unit" "angstrom" } "alpha" { "source-value" 88.24142921 "source-unit" "degree" } "beta" { "source-value" 98.33277139 "source-unit" "degree" } "gamma" { "source-value" 118.22416224 "source-unit" "degree" } }