{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.90682 0.620932 ] [ 0.25 0.59318 0.120932 ] [ 0.75 0.40682 0.879068 ] [ 0.25 0.09318 0.379068 ] [ 0.75 0.994806 0.124009 ] [ 0.25 0.505194 0.624009 ] [ 0.75 0.494806 0.375991 ] [ 0.25 0.005194 0.875991 ] [ 0.25 0.771189 0.343493 ] [ 0.75 0.728811 0.843493 ] [ 0.25 0.271189 0.156507 ] [ 0.75 0.228811 0.656507 ] [ 0.75 0.89914 0.960345 ] [ 0.75 0.858662 0.435639 ] [ 0.25 0.897463 0.202605 ] [ 0.25 0.852496 0.754201 ] [ 0.75 0.647504 0.254201 ] [ 0.75 0.602537 0.702605 ] [ 0.25 0.641338 0.935639 ] [ 0.25 0.60086 0.460345 ] [ 0.75 0.39914 0.539655 ] [ 0.75 0.358662 0.064361 ] [ 0.25 0.397463 0.297395 ] [ 0.25 0.352496 0.745799 ] [ 0.75 0.147504 0.245799 ] [ 0.75 0.102537 0.797395 ] [ 0.25 0.141338 0.564361 ] [ 0.25 0.10086 0.039655 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "V" "V" "V" "V" "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" 2.91596358 "source-unit" "angstrom" } "b" { "source-value" 9.43557685 "source-unit" "angstrom" } "c" { "source-value" 10.16391684 "source-unit" "angstrom" } }