{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.324931 0.031873 0.314275 ] [ 0.675069 0.968127 0.685725 ] [ 0.679933 0.70072 0.034393 ] [ 0.843783 0.240706 0.096238 ] [ 0.066596 0.596609 0.159771 ] [ 0.388038 0.52716 0.396619 ] [ 0.788935 0.978737 0.414555 ] [ 0.211065 0.021263 0.585445 ] [ 0.611962 0.47284 0.603381 ] [ 0.933404 0.403391 0.840229 ] [ 0.156217 0.759294 0.903762 ] [ 0.320067 0.29928 0.965607 ] ] } "species" { "source-value" [ "P" "H" "Pb" "Pb" "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" 4.6581696 "source-unit" "angstrom" } "b" { "source-value" 4.84347817 "source-unit" "angstrom" } "c" { "source-value" 8.92980709 "source-unit" "angstrom" } "alpha" { "source-value" 86.17547589 "source-unit" "degree" } "beta" { "source-value" 76.64117799 "source-unit" "degree" } "gamma" { "source-value" 81.78749579 "source-unit" "degree" } }