{ "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" [ [ 0.972346 0.2451 0.984657 ] [ 0.027654 0.7549 0.015343 ] [ 0.269448 0.423261 0.697704 ] [ 0.262845 0.917855 0.682199 ] [ 0.737155 0.082145 0.317801 ] [ 0.730552 0.576739 0.302296 ] [ 0.553277 0.730989 0.906104 ] [ 0.768102 0.395193 0.687938 ] [ 0.765597 0.951031 0.686366 ] [ 0.234403 0.048969 0.313634 ] [ 0.231898 0.604807 0.312062 ] [ 0.446723 0.269011 0.093896 ] [ 0.293229 0.220815 0.907588 ] [ 0.309421 0.728959 0.89666 ] [ 0.979121 0.4719 0.813841 ] [ 0.588212 0.51643 0.782247 ] [ 0.75319 0.177482 0.705291 ] [ 0.582596 0.876418 0.774466 ] [ 0.978485 0.932623 0.808331 ] [ 0.232215 0.141755 0.527774 ] [ 0.227912 0.618643 0.525364 ] [ 0.772088 0.381357 0.474636 ] [ 0.767785 0.858245 0.472226 ] [ 0.021515 0.067377 0.191669 ] [ 0.417404 0.123582 0.225534 ] [ 0.24681 0.822518 0.294709 ] [ 0.411788 0.48357 0.217753 ] [ 0.020879 0.5281 0.186159 ] [ 0.690579 0.271041 0.10334 ] [ 0.706771 0.779185 0.092412 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Al" "Al" "Al" "Al" "Al" "Al" "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" 7.35280489 "source-unit" "angstrom" } "b" { "source-value" 7.92599936 "source-unit" "angstrom" } "c" { "source-value" 8.31854353 "source-unit" "angstrom" } "alpha" { "source-value" 103.82211814 "source-unit" "degree" } "beta" { "source-value" 96.34129929 "source-unit" "degree" } "gamma" { "source-value" 89.6737394 "source-unit" "degree" } }