{ "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" [ [ 0.757971 0.528235 0.667785 ] [ 0.242029 0.471765 0.332215 ] [ 0 0 0 ] [ 0.215493 0.697577 0.685764 ] [ 0.351622 0.325169 0.919649 ] [ 0.648378 0.674831 0.080351 ] [ 0.784507 0.302423 0.314236 ] [ 0.482434 0.678497 0.581153 ] [ 0.914882 0.384142 0.433329 ] [ 0.666511 0.680575 0.876141 ] [ 0.085118 0.615858 0.566671 ] [ 0.333489 0.319425 0.123859 ] [ 0.234804 0.177925 0.876574 ] [ 0.07878 0.89563 0.746338 ] [ 0.202921 0.546593 0.868049 ] [ 0.92122 0.10437 0.253662 ] [ 0.517566 0.321503 0.418847 ] [ 0.765196 0.822075 0.123426 ] [ 0.614725 0.312477 0.801913 ] [ 0.797079 0.453407 0.131951 ] [ 0.385275 0.687523 0.198087 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 5.91531056958 "source-unit" "angstrom" } "b" { "source-value" 7.04445489112 "source-unit" "angstrom" } "c" { "source-value" 7.63909821363 "source-unit" "angstrom" } "alpha" { "source-value" 80.8753032355 "source-unit" "degree" } "beta" { "source-value" 73.5849387941 "source-unit" "degree" } "gamma" { "source-value" 75.2767966074 "source-unit" "degree" } }