{ "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" [ [ 0.523259 0.507965 0.00143 ] [ 0.521365 0.841547 0.670642 ] [ 0.464093 0.183601 0.345817 ] [ 0.994395 0.323367 0.674447 ] [ 0.006149 0.654282 0.310833 ] [ 0.976746 0.99075 0.993579 ] [ 0.803934 0.042218 0.780654 ] [ 0.810518 0.708301 0.093883 ] [ 0.694387 0.538661 0.769522 ] [ 0.301501 0.122963 0.574672 ] [ 0.313198 0.476801 0.224927 ] [ 0.808175 0.364149 0.433627 ] [ 0.694243 0.198701 0.120071 ] [ 0.705166 0.863967 0.421365 ] [ 0.300272 0.795745 0.896261 ] [ 0.191994 0.625318 0.557354 ] [ 0.188984 0.975111 0.21298 ] [ 0.20162 0.286552 0.917937 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "F" "F" "F" "F" "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" 4.7285043 "source-unit" "angstrom" } "b" { "source-value" 5.70740063 "source-unit" "angstrom" } "c" { "source-value" 7.90600411 "source-unit" "angstrom" } "alpha" { "source-value" 86.19956597 "source-unit" "degree" } "beta" { "source-value" 88.85619675 "source-unit" "degree" } "gamma" { "source-value" 88.68519012 "source-unit" "degree" } }