{ "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 0 0.5 ] [ 1 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 1 0 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 1 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.726127 0.261196 0.477787 ] [ 0.753091 0.762891 0.014194 ] [ 0.253084 0.754287 0.996607 ] [ 0.265545 0.266968 0.502043 ] [ 0.734455 0.733032 0.497957 ] [ 0.746916 0.245713 0.003393 ] [ 0.246909 0.237109 0.985806 ] [ 0.273873 0.738804 0.522213 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Co" "Co" "Co" "Co" "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" 5.85301612 "source-unit" "angstrom" } "b" { "source-value" 5.89498176 "source-unit" "angstrom" } "c" { "source-value" 5.95346026 "source-unit" "angstrom" } "alpha" { "source-value" 119.62303306 "source-unit" "degree" } "beta" { "source-value" 119.3766465 "source-unit" "degree" } "gamma" { "source-value" 90.00257877 "source-unit" "degree" } }