{ "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" [ [ 0.728988 0.383408 0.810925 ] [ 0.271012 0.616592 0.189075 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.320776 0.639905 0.76014 ] [ 0.679224 0.360095 0.23986 ] [ 0.631101 0.75207 0.913274 ] [ 0.2513 0.786706 0.608151 ] [ 0.308188 0.340025 0.656653 ] [ 0.871436 0.335095 0.111721 ] [ 0.128564 0.664905 0.888279 ] [ 0.691812 0.659975 0.343347 ] [ 0.7487 0.213294 0.391849 ] [ 0.368899 0.24793 0.086726 ] [ 0.127742 0.92906 0.267159 ] [ 0.872258 0.07094 0.732841 ] ] } "species" { "source-value" [ "Li" "Li" "V" "Cr" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.22741344 "source-unit" "angstrom" } "b" { "source-value" 5.37250041 "source-unit" "angstrom" } "c" { "source-value" 7.34259706 "source-unit" "angstrom" } "alpha" { "source-value" 106.86031398 "source-unit" "degree" } "beta" { "source-value" 108.52137247 "source-unit" "degree" } "gamma" { "source-value" 98.17456939 "source-unit" "degree" } }