{ "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" [ [ 0.773597 0.590035 0.116555 ] [ 0.251112 0.409902 0.412038 ] [ 0.748888 0.590098 0.587962 ] [ 0.226403 0.409965 0.883445 ] [ 0.083625 0.805516 0.001411 ] [ 0.57143 0.807438 0.00741 ] [ 0.572246 0.802634 0.391231 ] [ 0.074154 0.793029 0.395863 ] [ 0.925846 0.206971 0.604137 ] [ 0.427754 0.197366 0.608769 ] [ 0.42857 0.192562 0.99259 ] [ 0.916375 0.194484 0.998589 ] [ 0.268651 0.579386 0.17821 ] [ 0.719918 0.390557 0.300052 ] [ 0.366267 0.092439 0.279198 ] [ 0.920218 0.081368 0.277443 ] [ 0.079782 0.918632 0.722557 ] [ 0.633733 0.907561 0.720802 ] [ 0.280082 0.609443 0.699948 ] [ 0.731349 0.420614 0.82179 ] [ 0.859285 0.988614 0.111986 ] [ 0.211875 0.368852 0.068548 ] [ 0.498023 0.674361 0.158419 ] [ 0.093981 0.686476 0.161601 ] [ 0.717224 0.346916 0.132594 ] [ 0.387153 0.998584 0.114808 ] [ 0.861239 0.960328 0.377109 ] [ 0.383967 0.989373 0.388407 ] [ 0.273124 0.606194 0.346789 ] [ 0.780472 0.605455 0.394554 ] [ 0.157496 0.154937 0.298899 ] [ 0.502926 0.304465 0.344375 ] [ 0.861614 0.279099 0.350386 ] [ 0.138386 0.720901 0.649614 ] [ 0.497074 0.695535 0.655625 ] [ 0.842504 0.845063 0.701101 ] [ 0.219528 0.394545 0.605446 ] [ 0.726876 0.393806 0.653211 ] [ 0.616033 0.010627 0.611593 ] [ 0.138761 0.039672 0.622891 ] [ 0.612847 0.001416 0.885192 ] [ 0.282776 0.653084 0.867406 ] [ 0.906019 0.313524 0.838399 ] [ 0.501977 0.325639 0.841581 ] [ 0.788125 0.631148 0.931452 ] [ 0.140715 0.011386 0.888014 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "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" 6.99211869 "source-unit" "angstrom" } "b" { "source-value" 8.03165369 "source-unit" "angstrom" } "c" { "source-value" 10.26014531 "source-unit" "angstrom" } "alpha" { "source-value" 109.65206893 "source-unit" "degree" } "beta" { "source-value" 89.92499448 "source-unit" "degree" } "gamma" { "source-value" 102.33820509 "source-unit" "degree" } }