{ "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" [ [ 0.252282 0.642541 0.85342 ] [ 0.739544 0.353023 0.14738 ] [ 0.352749 0.144938 0.739411 ] [ 0.144082 0.737844 0.353603 ] [ 0.989261 0.004762 0.998342 ] [ 0.143049 0.144029 0.145959 ] [ 0.509248 0.498869 0.497209 ] [ 0.642441 0.644185 0.643431 ] [ 0.858621 0.854962 0.854919 ] [ 0.354124 0.351515 0.353487 ] [ 0.947044 0.548553 0.252671 ] [ 0.551905 0.247616 0.952776 ] [ 0.24962 0.951757 0.549408 ] [ 0.753404 0.046263 0.454253 ] [ 0.446833 0.751757 0.044156 ] [ 0.054196 0.456123 0.753896 ] [ 0.527421 0.31467 0.1061 ] [ 0.318908 0.105009 0.524501 ] [ 0.102695 0.521259 0.322721 ] [ 0.945114 0.739416 0.08951 ] [ 0.985379 0.386376 0.185981 ] [ 0.75003 0.565766 0.402596 ] [ 0.749731 0.097297 0.927874 ] [ 0.546893 0.410801 0.762412 ] [ 0.822432 0.010845 0.608226 ] [ 0.39671 0.75102 0.569562 ] [ 0.909401 0.072283 0.250854 ] [ 0.611826 0.812958 0.995216 ] [ 0.388825 0.175883 0.994763 ] [ 0.101425 0.926761 0.750741 ] [ 0.59957 0.246893 0.429925 ] [ 0.181294 0.989509 0.38852 ] [ 0.432222 0.595051 0.244562 ] [ 0.245146 0.909629 0.075529 ] [ 0.253065 0.427622 0.596622 ] [ 0.041101 0.604528 0.818044 ] [ 0.072418 0.253069 0.910798 ] [ 0.890257 0.499458 0.693246 ] [ 0.685658 0.893296 0.483149 ] [ 0.454077 0.688865 0.897225 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "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" 8.2986513 "source-unit" "angstrom" } "b" { "source-value" 8.41417023 "source-unit" "angstrom" } "c" { "source-value" 8.4165435 "source-unit" "angstrom" } "alpha" { "source-value" 62.83377053 "source-unit" "degree" } "beta" { "source-value" 63.44748968 "source-unit" "degree" } "gamma" { "source-value" 63.42159322 "source-unit" "degree" } }