{ "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" [ [ 0.858888 0.425877 0.169203 ] [ 0.141112 0.574123 0.830797 ] [ 0.154935 0.08883 0.856078 ] [ 0.845065 0.91117 0.143922 ] [ 0.35026 0.44457 0.202066 ] [ 0.335051 0.884395 0.220687 ] [ 0.858948 0.775036 0.552528 ] [ 0.664949 0.115605 0.779313 ] [ 0.64974 0.55543 0.797934 ] [ 0.141052 0.224964 0.447472 ] [ 0.703462 0.620014 0.606603 ] [ 0.048457 0.799628 0.679596 ] [ 0.951543 0.200372 0.320404 ] [ 0.879358 0.717319 0.346525 ] [ 0.837513 0.106585 0.924534 ] [ 0.825093 0.619788 0.939995 ] [ 0.729954 0.978385 0.58698 ] [ 0.436773 0.609504 0.843574 ] [ 0.669496 0.32057 0.717045 ] [ 0.563227 0.390496 0.156426 ] [ 0.162487 0.893416 0.075466 ] [ 0.456176 0.058317 0.819569 ] [ 0.120642 0.282681 0.653475 ] [ 0.330504 0.67943 0.282955 ] [ 0.296538 0.379986 0.393397 ] [ 0.270046 0.021615 0.41302 ] [ 0.174907 0.380212 0.060005 ] [ 0.543824 0.941683 0.180431 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "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" 6.54283461808 "source-unit" "angstrom" } "b" { "source-value" 6.90324730488 "source-unit" "angstrom" } "c" { "source-value" 7.41035177527 "source-unit" "angstrom" } "alpha" { "source-value" 102.06578766 "source-unit" "degree" } "beta" { "source-value" 92.7511569694 "source-unit" "degree" } "gamma" { "source-value" 89.7774991874 "source-unit" "degree" } }