{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.199765 0.995756 0.668201 ] [ 0.300235 0.995756 0.168201 ] [ 0.199765 0.504244 0.668201 ] [ 0.300235 0.504244 0.168201 ] [ 0.699765 0.495756 0.831799 ] [ 0.800235 0.495756 0.331799 ] [ 0.800235 0.004244 0.331799 ] [ 0.699765 0.004244 0.831799 ] [ 0.806944 0.25 0.575531 ] [ 0.693056 0.25 0.075531 ] [ 0.306944 0.75 0.924469 ] [ 0.193056 0.75 0.424469 ] [ 0.189198 0.25 0.914816 ] [ 0.310802 0.25 0.414816 ] [ 0.689198 0.75 0.585184 ] [ 0.810802 0.75 0.085184 ] [ 0.294714 0.034472 0.840685 ] [ 0.205286 0.034472 0.340685 ] [ 0.864223 0.25 0.914656 ] [ 0.205129 0.25 0.556967 ] [ 0.294871 0.25 0.056967 ] [ 0.635777 0.25 0.414656 ] [ 0.294714 0.465528 0.840685 ] [ 0.205286 0.465528 0.340685 ] [ 0.705286 0.534472 0.159315 ] [ 0.794714 0.534472 0.659315 ] [ 0.705129 0.75 0.943033 ] [ 0.364223 0.75 0.585344 ] [ 0.794871 0.75 0.443033 ] [ 0.135777 0.75 0.085344 ] [ 0.794714 0.965528 0.659315 ] [ 0.705286 0.965528 0.159315 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 5.10212326 "source-unit" "angstrom" } "b" { "source-value" 6.20139233 "source-unit" "angstrom" } "c" { "source-value" 10.95674547 "source-unit" "angstrom" } }