{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.43085 0.772289 0.169149 ] [ 0.56915 0.272289 0.330851 ] [ 0.06915 0.227711 0.669149 ] [ 0.93085 0.727711 0.830851 ] [ 0.98225 0.042246 0.021439 ] [ 0.01775 0.542246 0.478561 ] [ 0.51775 0.957754 0.521439 ] [ 0.48225 0.457754 0.978561 ] [ 0.912998 0.498077 0.154125 ] [ 0.087002 0.998077 0.345875 ] [ 0.587002 0.501923 0.654125 ] [ 0.412998 0.001923 0.845875 ] [ 0.765713 0.679416 0.075789 ] [ 0.781318 0.297485 0.087928 ] [ 0.229939 0.504683 0.141891 ] [ 0.179907 0.000396 0.196105 ] [ 0.820093 0.500396 0.303895 ] [ 0.770061 0.004683 0.358109 ] [ 0.218682 0.797485 0.412072 ] [ 0.234287 0.179416 0.424211 ] [ 0.734287 0.320584 0.575789 ] [ 0.718682 0.702515 0.587928 ] [ 0.270061 0.495317 0.641891 ] [ 0.320093 0.999604 0.696105 ] [ 0.679907 0.499604 0.803895 ] [ 0.729939 0.995317 0.858109 ] [ 0.281318 0.202515 0.912072 ] [ 0.265713 0.820584 0.924211 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.83325963 "source-unit" "angstrom" } "b" { "source-value" 6.39743847 "source-unit" "angstrom" } "c" { "source-value" 9.86315129 "source-unit" "angstrom" } }