{ "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" [ [ 0.165246 0.908474 0.943213 ] [ 0.834754 0.091526 0.056787 ] [ 0.458022 0.603287 0.793177 ] [ 0.780554 0.456266 0.590267 ] [ 0.407811 0.212825 0.535454 ] [ 0.592188 0.787175 0.464546 ] [ 0.219446 0.543734 0.409733 ] [ 0.541978 0.396713 0.206823 ] [ 0.641849 0.280877 0.855632 ] [ 0.14294 0.386191 0.718386 ] [ 0.802837 0.811554 0.806846 ] [ 0.269577 0.877091 0.6302 ] [ 0.730423 0.122909 0.3698 ] [ 0.197163 0.188446 0.193154 ] [ 0.85706 0.613809 0.281614 ] [ 0.358151 0.719123 0.144368 ] ] } "species" { "source-value" [ "Ni" "Ni" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.41673132 "source-unit" "angstrom" } "b" { "source-value" 6.56910181 "source-unit" "angstrom" } "c" { "source-value" 6.58980636 "source-unit" "angstrom" } "alpha" { "source-value" 98.21008447 "source-unit" "degree" } "beta" { "source-value" 97.01569483 "source-unit" "degree" } "gamma" { "source-value" 91.39803794 "source-unit" "degree" } }