{ "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" [ [ 0.177047 0.895101 0.010165 ] [ 0.209036 0.41861 0.272478 ] [ 0.217985 0.381918 0.771411 ] [ 0.403984 0.56382 0.105944 ] [ 0.403003 0.542359 0.607007 ] [ 0.44753 0.798317 0.293052 ] [ 0.476818 0.773921 0.800741 ] [ 0.532712 0.234941 0.203193 ] [ 0.54001 0.209536 0.701592 ] [ 0.587994 0.469932 0.389829 ] [ 0.602072 0.443956 0.890852 ] [ 0.775216 0.61077 0.224728 ] [ 0.786578 0.581482 0.726939 ] [ 0.019236 0.814934 0.545748 ] [ 0.128816 0.749678 0.176354 ] [ 0.150791 0.716605 0.702583 ] [ 0.188516 0.231828 0.102755 ] [ 0.193488 0.17197 0.602578 ] [ 0.257467 0.64875 0.43335 ] [ 0.27623 0.595629 0.926469 ] [ 0.356671 0.147677 0.360516 ] [ 0.367581 0.117194 0.871252 ] [ 0.633187 0.889126 0.13766 ] [ 0.639862 0.861938 0.634486 ] [ 0.71626 0.384583 0.067641 ] [ 0.708714 0.373045 0.564911 ] [ 0.793317 0.817953 0.388692 ] [ 0.831563 0.778858 0.901045 ] [ 0.852512 0.299623 0.313354 ] [ 0.861204 0.264244 0.810823 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" "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" 6.44260758 "source-unit" "angstrom" } "b" { "source-value" 6.51404394 "source-unit" "angstrom" } "c" { "source-value" 13.08147627 "source-unit" "angstrom" } "alpha" { "source-value" 94.32563403 "source-unit" "degree" } "beta" { "source-value" 94.49731494 "source-unit" "degree" } "gamma" { "source-value" 96.56342255 "source-unit" "degree" } }