{ "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 0.5 ] [ 0.199177 0.396696 0.896492 ] [ 0.19978 0.901189 0.897067 ] [ 0.598526 0.197191 0.69704 ] [ 0.603563 0.702211 0.69937 ] [ 1 0.5 0.5 ] [ 0.396437 0.297789 0.30063 ] [ 0.80022 0.098811 0.102933 ] [ 0.401474 0.802809 0.30296 ] [ 0.800823 0.603304 0.103508 ] [ 0.498975 0.749329 0.00197 ] [ 0.501025 0.250671 0.99803 ] [ 0.896829 0.55099 0.799235 ] [ 0.893401 0.048082 0.807027 ] [ 0.307638 0.361603 0.604235 ] [ 0.307025 0.844757 0.603545 ] [ 0.692975 0.155243 0.396455 ] [ 0.692362 0.638397 0.395765 ] [ 0.103171 0.44901 0.200765 ] [ 0.106599 0.951918 0.192973 ] ] } "species" { "source-value" [ "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.1302286 "source-unit" "angstrom" } "b" { "source-value" 5.92045712 "source-unit" "angstrom" } "c" { "source-value" 6.64479679 "source-unit" "angstrom" } "alpha" { "source-value" 102.8715266 "source-unit" "degree" } "beta" { "source-value" 97.57266387 "source-unit" "degree" } "gamma" { "source-value" 106.78835989 "source-unit" "degree" } }