{ "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" [ [ 0.874133 0.124611 0.247506 ] [ 0.86424 0.132605 0.742965 ] [ 0.86159 0.611472 0.738491 ] [ 0.393652 0.143078 0.28093 ] [ 0.3811 0.613411 0.74256 ] [ 0.858169 0.608258 0.215119 ] [ 0.375823 0.62512 0.250349 ] [ 0.377547 0.128352 0.7441 ] [ 0.610184 0.391293 0.234479 ] [ 0.12443 0.405755 0.251103 ] [ 0.629783 0.84774 0.255191 ] [ 0.62389 0.374589 0.745572 ] [ 0.140061 0.858739 0.270766 ] [ 0.651903 0.878428 0.782277 ] [ 0.136226 0.884821 0.780119 ] [ 0.09727 0.371725 0.718474 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "F" "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" 5.80098839 "source-unit" "angstrom" } "b" { "source-value" 5.93328094 "source-unit" "angstrom" } "c" { "source-value" 6.09865473 "source-unit" "angstrom" } "alpha" { "source-value" 118.06320476 "source-unit" "degree" } "beta" { "source-value" 117.84031942 "source-unit" "degree" } "gamma" { "source-value" 90.93313185 "source-unit" "degree" } }