{ "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" [ [ 0.999234 0.496924 0.004216 ] [ 0.502412 0.004019 0.498695 ] [ 0.120582 0.255674 0.670457 ] [ 0.383915 0.240621 0.152074 ] [ 0.609858 0.751409 0.847435 ] [ 0.883131 0.748613 0.330583 ] [ 0.939398 0.971203 0.987174 ] [ 0.440669 0.42083 0.554618 ] [ 0.543033 0.568167 0.410086 ] [ 0.117865 0.834054 0.449821 ] [ 0.00883 0.30132 0.837703 ] [ 0.213811 0.396529 0.172621 ] [ 0.267102 0.439834 0.595098 ] [ 0.344484 0.655383 0.92731 ] [ 0.556689 0.800158 0.668597 ] [ 0.231942 0.078742 0.056956 ] [ 0.336013 0.140453 0.693328 ] [ 0.665273 0.861822 0.306744 ] [ 0.737572 0.919565 0.955102 ] [ 0.454014 0.208632 0.337009 ] [ 0.654406 0.336493 0.069509 ] [ 0.737225 0.565739 0.409444 ] [ 0.804767 0.614374 0.835125 ] [ 0.989176 0.701744 0.16125 ] [ 0.887477 0.169597 0.549144 ] ] } "species" { "source-value" [ "Sb" "Sb" "P" "P" "P" "P" "H" "H" "H" "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" 5.00506103 "source-unit" "angstrom" } "b" { "source-value" 7.65471452 "source-unit" "angstrom" } "c" { "source-value" 8.10931439 "source-unit" "angstrom" } "alpha" { "source-value" 91.28653058 "source-unit" "degree" } "beta" { "source-value" 91.92512386 "source-unit" "degree" } "gamma" { "source-value" 102.49542479 "source-unit" "degree" } }