{ "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" [ [ 0.284841 0.961889 0.69521 ] [ 0.715159 0.038111 0.30479 ] [ 0 0 0 ] [ 0.308791 0.525326 0.299008 ] [ 0.691209 0.474674 0.700992 ] [ 0.090857 0.265569 0.665431 ] [ 0.352101 0.693755 0.931782 ] [ 0.647899 0.306245 0.068218 ] [ 0.909143 0.734431 0.334569 ] [ 0.575183 0.719465 0.862841 ] [ 0.302472 0.331735 0.578596 ] [ 0.404273 0.738326 0.134851 ] [ 0.065191 0.085414 0.729534 ] [ 0.160977 0.453319 0.850258 ] [ 0.140953 0.762363 0.450013 ] [ 0.231036 0.814609 0.869761 ] [ 0.768964 0.185391 0.130239 ] [ 0.859047 0.237637 0.549987 ] [ 0.839023 0.546681 0.149742 ] [ 0.934809 0.914586 0.270466 ] [ 0.595727 0.261674 0.865149 ] [ 0.697528 0.668265 0.421404 ] [ 0.424817 0.280535 0.137159 ] ] } "species" { "source-value" [ "Li" "Li" "Sn" "Sn" "Sn" "P" "P" "P" "P" "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" 6.31813419755 "source-unit" "angstrom" } "b" { "source-value" 7.57583928565 "source-unit" "angstrom" } "c" { "source-value" 8.02219372914 "source-unit" "angstrom" } "alpha" { "source-value" 103.509484869 "source-unit" "degree" } "beta" { "source-value" 97.929172408 "source-unit" "degree" } "gamma" { "source-value" 113.564366742 "source-unit" "degree" } }