{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.973041 0.23645 0.199226 ] [ 0.463429 0.713022 0.201147 ] [ 0.457359 0.236632 0.200281 ] [ 0.968872 0.727971 0.194768 ] [ 0.031128 0.272029 0.805232 ] [ 0.542641 0.763368 0.799719 ] [ 0.536571 0.286978 0.798853 ] [ 0.026959 0.76355 0.800774 ] ] } "species" { "source-value" [ "Li" "Ti" "V" "V" "V" "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" 5.91641771 "source-unit" "angstrom" } "b" { "source-value" 5.93751695 "source-unit" "angstrom" } "c" { "source-value" 6.10442212 "source-unit" "angstrom" } "alpha" { "source-value" 91.2127346 "source-unit" "degree" } "beta" { "source-value" 118.92182547 "source-unit" "degree" } "gamma" { "source-value" 118.54645217 "source-unit" "degree" } }