{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.107735 0.711602 0.541012 ] [ 0.39256 0.783977 0.960683 ] [ 0.613777 0.216761 0.037962 ] [ 0.887785 0.28677 0.460895 ] [ 0.252999 0.252804 0.751761 ] [ 0.500601 0.501407 0.500589 ] [ 0.744695 0.746255 0.249269 ] [ 0.00068 0.99872 0.998259 ] [ 0.088534 0.454672 0.222216 ] [ 0.589315 0.954996 0.720499 ] [ 0.403687 0.044743 0.277745 ] [ 0.916347 0.544834 0.779091 ] [ 0.218229 0.154816 0.488755 ] [ 0.289145 0.351744 0.011222 ] [ 0.711169 0.647802 0.987186 ] [ 0.783627 0.847967 0.513588 ] [ 0.043504 0.781032 0.851426 ] [ 0.150142 0.948353 0.328601 ] [ 0.148773 0.481843 0.826385 ] [ 0.335843 0.995422 0.115988 ] [ 0.147569 0.504091 0.381528 ] [ 0.267594 0.219795 0.942923 ] [ 0.459873 0.719235 0.648947 ] [ 0.240345 0.287397 0.556544 ] [ 0.344017 0.550983 0.171828 ] [ 0.630954 0.977057 0.32185 ] [ 0.357183 0.020975 0.680574 ] [ 0.669183 0.452583 0.833812 ] [ 0.761073 0.714353 0.445431 ] [ 0.531157 0.279869 0.34925 ] [ 0.736203 0.780926 0.056542 ] [ 0.851274 0.495018 0.619345 ] [ 0.665017 0.00351 0.88245 ] [ 0.860885 0.519689 0.172703 ] [ 0.83436 0.048241 0.664906 ] [ 0.964163 0.219758 0.148234 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "V" "V" "P" "P" "P" "P" "H" "H" "H" "H" "O" "O" "O" "O" "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" 5.46923263 "source-unit" "angstrom" } "b" { "source-value" 7.41603958 "source-unit" "angstrom" } "c" { "source-value" 10.22881915 "source-unit" "angstrom" } "alpha" { "source-value" 105.59391618 "source-unit" "degree" } "beta" { "source-value" 96.6719293 "source-unit" "degree" } "gamma" { "source-value" 110.27974824 "source-unit" "degree" } }