{ "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 0.5 ] [ 0.79754 0.151383 0.93667 ] [ 0.20246 0.848617 0.06333 ] [ 0.027293 0.772878 0.779105 ] [ 0.972707 0.227122 0.220895 ] [ 0.413182 0.470229 0.839718 ] [ 0.586818 0.529771 0.160282 ] [ 0.441621 0.708804 0.648239 ] [ 0.558379 0.291196 0.351761 ] [ 0.5 0.5 0.5 ] [ 0.346341 0.439096 0.71073 ] [ 0.653659 0.560904 0.28927 ] [ 0.74564 0.624383 0.875872 ] [ 0.25436 0.375617 0.124128 ] [ 0.269567 0.637529 0.872949 ] [ 0.730433 0.362471 0.127051 ] [ 0.288353 0.188405 0.875564 ] [ 0.711647 0.811595 0.124436 ] [ 0.766367 0.887468 0.689552 ] [ 0.233633 0.112532 0.310448 ] [ 0.258862 0.844766 0.668774 ] [ 0.741138 0.155234 0.331226 ] [ 0.369252 0.606176 0.53063 ] [ 0.630748 0.393824 0.46937 ] ] } "species" { "source-value" [ "K" "K" "K" "Cu" "Cu" "P" "P" "P" "P" "H" "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" 5.32297321 "source-unit" "angstrom" } "b" { "source-value" 5.60257076 "source-unit" "angstrom" } "c" { "source-value" 12.90547053 "source-unit" "angstrom" } "alpha" { "source-value" 90.51447392 "source-unit" "degree" } "beta" { "source-value" 100.16010431 "source-unit" "degree" } "gamma" { "source-value" 116.87782378 "source-unit" "degree" } }