{ "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 0.5 0.5 ] [ 0.500184 0.135526 0.865217 ] [ 0.499816 0.864474 0.134783 ] [ 0.750311 0.062928 0.437758 ] [ 0.751639 0.565637 0.938494 ] [ 0.249868 0.685852 0.811389 ] [ 0.749948 0.814218 0.688791 ] [ 0.250052 0.185782 0.311209 ] [ 0.750132 0.314148 0.188611 ] [ 0.248361 0.434363 0.061506 ] [ 0.249689 0.937072 0.562242 ] [ 0.893427 0.567252 0.737362 ] [ 0.853053 0.055031 0.233765 ] [ 0.623139 0.568732 0.13859 ] [ 0.865673 0.308374 0.985242 ] [ 0.601008 0.815487 0.889986 ] [ 0.607183 0.060668 0.637623 ] [ 0.355421 0.679926 0.606745 ] [ 0.893914 0.812743 0.489075 ] [ 0.106086 0.187257 0.510925 ] [ 0.644579 0.320074 0.393255 ] [ 0.392817 0.939332 0.362377 ] [ 0.398992 0.184513 0.110014 ] [ 0.134327 0.691626 0.014758 ] [ 0.376861 0.431268 0.86141 ] [ 0.146947 0.944969 0.766235 ] [ 0.106573 0.432748 0.262638 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 4.96728929 "source-unit" "angstrom" } "b" { "source-value" 6.46454238 "source-unit" "angstrom" } "c" { "source-value" 8.55524583 "source-unit" "angstrom" } "alpha" { "source-value" 95.09545202 "source-unit" "degree" } "beta" { "source-value" 95.21406126 "source-unit" "degree" } "gamma" { "source-value" 96.6578943 "source-unit" "degree" } }