{ "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" [ [ 0.995773 0.746692 0.250435 ] [ 0.000514 0.748175 0.752691 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.999486 0.251825 0.247309 ] [ 0.004227 0.253308 0.749565 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.500054 0.623669 0.372986 ] [ 0.499946 0.376331 0.627014 ] [ 0.500228 0.127283 0.877284 ] [ 0.499608 0.125789 0.37278 ] [ 0.499772 0.872717 0.122716 ] [ 0.500392 0.874211 0.62722 ] [ 0.500272 0.624506 0.876675 ] [ 0.499728 0.375494 0.123325 ] [ 0.276715 0.563961 0.186703 ] [ 0.276211 0.569085 0.694858 ] [ 0.718671 0.672766 0.057449 ] [ 0.727284 0.681433 0.560448 ] [ 0.281329 0.327234 0.942551 ] [ 0.723285 0.436039 0.813297 ] [ 0.272716 0.318567 0.439552 ] [ 0.723789 0.430915 0.305142 ] [ 0.275542 0.072987 0.185818 ] [ 0.723287 0.185638 0.062091 ] [ 0.272645 0.068832 0.69108 ] [ 0.726727 0.182249 0.560868 ] [ 0.276713 0.814362 0.937909 ] [ 0.724458 0.927013 0.814182 ] [ 0.273273 0.817751 0.439132 ] [ 0.727355 0.931168 0.30892 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Co" "Co" "O" "O" "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" 5.10333828 "source-unit" "angstrom" } "b" { "source-value" 5.85724723 "source-unit" "angstrom" } "c" { "source-value" 10.15010675 "source-unit" "angstrom" } "alpha" { "source-value" 90.13544576 "source-unit" "degree" } "beta" { "source-value" 99.50101836 "source-unit" "degree" } "gamma" { "source-value" 106.68223053 "source-unit" "degree" } }