{ "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 0 0 ] [ 0.678721 0.341699 0.229347 ] [ 0.321279 0.658301 0.770653 ] [ 0.34876 0.022269 0.333414 ] [ 0.65124 0.977731 0.666586 ] [ 0.866874 0.050639 0.733921 ] [ 0.710245 0.177509 0.389511 ] [ 0.286463 0.341283 0.646336 ] [ 0.368913 0.228822 0.056258 ] [ 0.906333 0.328143 0.128301 ] [ 0.093667 0.671857 0.871699 ] [ 0.631087 0.771178 0.943742 ] [ 0.713537 0.658717 0.353664 ] [ 0.289755 0.822491 0.610489 ] [ 0.133126 0.949361 0.266079 ] ] } "species" { "source-value" [ "Co" "Co" "P" "P" "H" "H" "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" 5.08370072 "source-unit" "angstrom" } "b" { "source-value" 5.11389773 "source-unit" "angstrom" } "c" { "source-value" 6.98114054 "source-unit" "angstrom" } "alpha" { "source-value" 106.59068395 "source-unit" "degree" } "beta" { "source-value" 108.89563166 "source-unit" "degree" } "gamma" { "source-value" 99.11017054 "source-unit" "degree" } }