{ "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" [ [ 0.676271 0.500564 0.455701 ] [ 0.124062 0.985531 0.317038 ] [ 0.893329 0.992016 0.67356 ] [ 0.009628 0.502205 0.997032 ] [ 0.704578 0.017021 0.094229 ] [ 0.312148 0.994082 0.895783 ] [ 0.04517 0.785587 0.12227 ] [ 0.363729 0.211051 0.053141 ] [ 0.092315 0.217965 0.469077 ] [ 0.195947 0.757084 0.78409 ] [ 0.477987 0.817154 0.305636 ] [ 0.547898 0.182489 0.685246 ] [ 0.818614 0.250932 0.211269 ] [ 0.900846 0.768542 0.518998 ] [ 0.651095 0.793931 0.940832 ] [ 0.969096 0.22076 0.87347 ] ] } "species" { "source-value" [ "Li" "Ti" "Ti" "Mn" "Mn" "Mn" "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" 5.02144344 "source-unit" "angstrom" } "b" { "source-value" 5.08531775 "source-unit" "angstrom" } "c" { "source-value" 7.92643162 "source-unit" "angstrom" } "alpha" { "source-value" 74.94057244 "source-unit" "degree" } "beta" { "source-value" 73.60722254 "source-unit" "degree" } "gamma" { "source-value" 81.99385441 "source-unit" "degree" } }