{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.859933 0.664135 ] [ 0.25 0.640067 0.164135 ] [ 0.75 0.359933 0.835865 ] [ 0.25 0.140067 0.335865 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.86009 0.66579 ] [ 0.75 0.63991 0.16579 ] [ 0.25 0.36009 0.83421 ] [ 0.75 0.13991 0.33421 ] [ 0.75 0.000853 0.469418 ] [ 0.25 0.887006 0.089124 ] [ 0.460753 0.866627 0.783004 ] [ 0.039247 0.866627 0.783004 ] [ 0.75 0.831239 0.079905 ] [ 0.25 0.668761 0.579905 ] [ 0.960753 0.633373 0.283004 ] [ 0.539247 0.633373 0.283004 ] [ 0.75 0.612994 0.589124 ] [ 0.25 0.499147 0.969418 ] [ 0.75 0.500853 0.030582 ] [ 0.25 0.387006 0.410876 ] [ 0.460753 0.366627 0.716996 ] [ 0.039247 0.366627 0.716996 ] [ 0.75 0.331239 0.420095 ] [ 0.25 0.168761 0.920095 ] [ 0.960753 0.133373 0.216996 ] [ 0.539247 0.133373 0.216996 ] [ 0.75 0.112994 0.910876 ] [ 0.25 0.999147 0.530582 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 6.04002591 "source-unit" "angstrom" } "b" { "source-value" 7.60206352 "source-unit" "angstrom" } "c" { "source-value" 7.76738059 "source-unit" "angstrom" } }