{ "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" [ [ 0.729233 0.367841 0.19828 ] [ 0.270767 0.632159 0.80172 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.686805 0.354478 0.761586 ] [ 0.313195 0.645522 0.238414 ] [ 0.624594 0.755999 0.075798 ] [ 0.304729 0.340672 0.344551 ] [ 0.695271 0.659328 0.655449 ] [ 0.257082 0.790888 0.393593 ] [ 0.375406 0.244001 0.924202 ] [ 0.742918 0.209112 0.606407 ] [ 0.110509 0.659884 0.122364 ] [ 0.889491 0.340116 0.877636 ] [ 0.866125 0.064585 0.266158 ] [ 0.133875 0.935415 0.733842 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.20331330498 "source-unit" "angstrom" } "b" { "source-value" 5.320988166 "source-unit" "angstrom" } "c" { "source-value" 7.24921948483 "source-unit" "angstrom" } "alpha" { "source-value" 109.025823205 "source-unit" "degree" } "beta" { "source-value" 105.944690812 "source-unit" "degree" } "gamma" { "source-value" 98.6474052632 "source-unit" "degree" } }