{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.153875 0.171884 0.661437 ] [ 0.188919 0.162372 0.167065 ] [ 0.336793 0.322736 0.906093 ] [ 0.683241 0.665586 0.150637 ] [ 0.825017 0.828895 0.41069 ] [ 0.175242 0.82701 0.634442 ] [ 0.183685 0.498304 0.133425 ] [ 0.322518 0.989174 0.885097 ] [ 0.333852 0.648926 0.381535 ] [ 0.64938 0.353678 0.624346 ] [ 0.686292 0.99708 0.1189 ] [ 0.816779 0.172097 0.380524 ] [ 0.831199 0.505915 0.875665 ] [ 0.151236 0.498524 0.635381 ] [ 0.176309 0.833232 0.132986 ] [ 0.322393 0.995367 0.382925 ] [ 0.332958 0.658702 0.875752 ] [ 0.672116 0.002729 0.62221 ] [ 0.669714 0.331958 0.124669 ] [ 0.840478 0.50058 0.371366 ] [ 0.828029 0.172768 0.876575 ] [ 0.091716 0.492221 0.331823 ] [ 0.090379 0.167811 0.860531 ] [ 0.207315 0.782965 0.82556 ] [ 0.218675 0.863687 0.430259 ] [ 0.168345 0.115516 0.357273 ] [ 0.190707 0.53475 0.9161 ] [ 0.277127 0.365811 0.636058 ] [ 0.295605 0.965436 0.094917 ] [ 0.268721 0.626578 0.588197 ] [ 0.32341 0.708526 0.162212 ] [ 0.409661 0.31998 0.107782 ] [ 0.413185 0.999609 0.657881 ] [ 0.585391 0.003251 0.355583 ] [ 0.590099 0.657157 0.88884 ] [ 0.695656 0.306531 0.848544 ] [ 0.720326 0.372109 0.418647 ] [ 0.709316 0.632605 0.364917 ] [ 0.689525 0.053516 0.918683 ] [ 0.798076 0.45989 0.085564 ] [ 0.818273 0.876391 0.616519 ] [ 0.786253 0.1381 0.585716 ] [ 0.80846 0.211542 0.178262 ] [ 0.915254 0.826858 0.142282 ] [ 0.902022 0.508849 0.682091 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 5.24495744 "source-unit" "angstrom" } "b" { "source-value" 9.06812746 "source-unit" "angstrom" } "c" { "source-value" 10.22098561 "source-unit" "angstrom" } "alpha" { "source-value" 89.01247129 "source-unit" "degree" } "beta" { "source-value" 89.58822192 "source-unit" "degree" } "gamma" { "source-value" 89.50564061 "source-unit" "degree" } }