{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.976478 0.902238 0.892295 ] [ 0.476478 0.902238 0.607705 ] [ 0.523522 0.402238 0.392295 ] [ 0.023522 0.402238 0.107705 ] [ 0.278345 0.785501 0.242232 ] [ 0.221655 0.285501 0.742232 ] [ 0.778345 0.785501 0.257768 ] [ 0.721655 0.285501 0.757768 ] [ 0.977261 0.097076 0.467432 ] [ 0.022739 0.597076 0.532568 ] [ 0.522739 0.597076 0.967432 ] [ 0.477261 0.097076 0.032568 ] [ 0.936315 0.259379 0.8251 ] [ 0.127602 0.051033 0.635312 ] [ 0.063685 0.759379 0.1749 ] [ 0.872398 0.551033 0.364688 ] [ 0.274705 0.981695 0.318207 ] [ 0.563685 0.759379 0.3251 ] [ 0.898771 0.859903 0.449346 ] [ 0.225295 0.481695 0.818207 ] [ 0.436315 0.259379 0.6749 ] [ 0.601229 0.359903 0.949346 ] [ 0.255341 0.150174 0.922364 ] [ 0.372398 0.551033 0.135312 ] [ 0.744659 0.650174 0.077636 ] [ 0.398771 0.859903 0.050654 ] [ 0.755341 0.150174 0.577636 ] [ 0.725295 0.481695 0.681793 ] [ 0.627602 0.051033 0.864688 ] [ 0.774705 0.981695 0.181793 ] [ 0.244659 0.650174 0.422364 ] [ 0.101229 0.359903 0.550654 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "V" "V" "V" "V" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "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" 7.38666722 "source-unit" "angstrom" } "b" { "source-value" 7.93803756 "source-unit" "angstrom" } "c" { "source-value" 8.81933375 "source-unit" "angstrom" } }