{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.75 0.222785 0.333913 ] [ 0.25 0.777215 0.666087 ] [ 0.25 0.722785 0.166087 ] [ 0.75 0.277215 0.833913 ] [ 0.25 0.127472 0.37337 ] [ 0.75 0.872528 0.62663 ] [ 0.75 0.627472 0.12663 ] [ 0.25 0.372528 0.87337 ] [ 0.954914 0.73698 0.625778 ] [ 0.545086 0.76302 0.125778 ] [ 0.045086 0.23698 0.874222 ] [ 0.454914 0.26302 0.374222 ] [ 0.045086 0.26302 0.374222 ] [ 0.545086 0.73698 0.625778 ] [ 0.954914 0.76302 0.125778 ] [ 0.454914 0.23698 0.874222 ] [ 0.75 0.162894 0.116536 ] [ 0.25 0.837106 0.883464 ] [ 0.25 0.662894 0.383464 ] [ 0.75 0.337106 0.616536 ] [ 0.75 0.002944 0.811428 ] [ 0.25 0.997056 0.188572 ] [ 0.25 0.502944 0.688572 ] [ 0.75 0.497056 0.311428 ] [ 0.25 0.49167 0.063679 ] [ 0.75 0.50833 0.936321 ] [ 0.75 0.99167 0.436321 ] [ 0.25 0.00833 0.563679 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "As" "As" "As" "As" "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" 6.66282923 "source-unit" "angstrom" } "b" { "source-value" 7.58704758 "source-unit" "angstrom" } "c" { "source-value" 7.65338532 "source-unit" "angstrom" } }