{ "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 ] [ 0.000606 0.868534 0.254247 ] [ 0.999394 0.131466 0.745753 ] [ 0.000447 0.7501 0.000009 ] [ 0 0 0.5 ] [ 0.003991 0.380927 0.250809 ] [ 0.996009 0.619073 0.749191 ] [ 0.999553 0.2499 0.999991 ] [ 0.501039 0.93925 0.873821 ] [ 0.500985 0.190156 0.377566 ] [ 0.500485 0.563136 0.12675 ] [ 0.499015 0.809844 0.622434 ] [ 0.499515 0.436864 0.87325 ] [ 0.498961 0.06075 0.126179 ] [ 0.499154 0.687712 0.374821 ] [ 0.500846 0.312288 0.625179 ] [ 0.275717 0.098442 0.939337 ] [ 0.73029 0.277374 0.815605 ] [ 0.277308 0.346868 0.435697 ] [ 0.732763 0.5212 0.307903 ] [ 0.724283 0.901558 0.060663 ] [ 0.26971 0.722626 0.184395 ] [ 0.279334 0.970561 0.689223 ] [ 0.732951 0.145673 0.556489 ] [ 0.2789 0.599048 0.939969 ] [ 0.724348 0.776673 0.808917 ] [ 0.267049 0.854327 0.443511 ] [ 0.720666 0.029439 0.310777 ] [ 0.275652 0.223327 0.191083 ] [ 0.267237 0.4788 0.692097 ] [ 0.7211 0.400952 0.060031 ] [ 0.722692 0.653132 0.564303 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.12637669 "source-unit" "angstrom" } "b" { "source-value" 5.89074296 "source-unit" "angstrom" } "c" { "source-value" 10.6222921 "source-unit" "angstrom" } "alpha" { "source-value" 105.96370209 "source-unit" "degree" } "beta" { "source-value" 94.53896512 "source-unit" "degree" } "gamma" { "source-value" 106.90706996 "source-unit" "degree" } }