{ "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" [ [ 0.115701 0.247765 0.76542 ] [ 0 0 0 ] [ 0.645642 0.41589 0.664666 ] [ 0.354358 0.58411 0.335334 ] [ 0.884299 0.752235 0.23458 ] [ 0.141709 0.198372 0.4266 ] [ 0.640338 0.305661 0.024004 ] [ 0.359662 0.694339 0.975996 ] [ 0.858291 0.801628 0.5734 ] [ 0.344644 0.235663 0.955777 ] [ 0.79984 0.339548 0.880605 ] [ 0.33755 0.171182 0.558951 ] [ 0.048643 0.011939 0.265361 ] [ 0.918175 0.25476 0.550339 ] [ 0.751726 0.178516 0.087037 ] [ 0.338454 0.499677 0.815699 ] [ 0.260208 0.343957 0.367522 ] [ 0.739792 0.656043 0.632478 ] [ 0.661546 0.500323 0.184301 ] [ 0.248274 0.821484 0.912963 ] [ 0.081825 0.74524 0.449661 ] [ 0.951357 0.988061 0.734639 ] [ 0.66245 0.828818 0.441049 ] [ 0.20016 0.660452 0.119395 ] [ 0.655356 0.764337 0.044223 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 8.09349814433 "source-unit" "angstrom" } "b" { "source-value" 8.36122623995 "source-unit" "angstrom" } "c" { "source-value" 5.19897742881 "source-unit" "angstrom" } "alpha" { "source-value" 91.641521439 "source-unit" "degree" } "beta" { "source-value" 99.1283600316 "source-unit" "degree" } "gamma" { "source-value" 113.820892029 "source-unit" "degree" } }