{ "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" [ [ 0.706241 0.953753 0.722057 ] [ 0.293759 0.046247 0.277943 ] [ 0.5 0.5 0.5 ] [ 0.759655 0.015954 0.255956 ] [ 0.240345 0.984046 0.744044 ] [ 0.787506 0.763538 0.432886 ] [ 0.30885 0.754574 0.953921 ] [ 0.153367 0.677927 0.392099 ] [ 0.690675 0.702062 0.919705 ] [ 0 0.5 0 ] [ 0.846633 0.322073 0.607901 ] [ 0.309325 0.297938 0.080295 ] [ 0.212494 0.236462 0.567114 ] [ 0.69115 0.245426 0.046079 ] [ 0.918742 0.9028 0.618203 ] [ 0.418026 0.90895 0.128373 ] [ 0.820617 0.877951 0.054367 ] [ 0.286274 0.856352 0.522649 ] [ 0.235949 0.794027 0.80356 ] [ 0.740095 0.824616 0.298402 ] [ 0.116125 0.660294 0.206684 ] [ 0.637437 0.692145 0.742447 ] [ 0.115244 0.62972 0.936743 ] [ 0.586315 0.661381 0.416769 ] [ 0.922967 0.642038 0.390156 ] [ 0.469132 0.650363 0.933615 ] [ 0.779848 0.564377 0.951898 ] [ 0.226125 0.544572 0.429794 ] [ 0.220152 0.435623 0.048102 ] [ 0.773875 0.455428 0.570206 ] [ 0.077033 0.357962 0.609844 ] [ 0.530868 0.349637 0.066385 ] [ 0.884756 0.37028 0.063257 ] [ 0.413685 0.338619 0.583231 ] [ 0.883875 0.339706 0.793316 ] [ 0.362563 0.307855 0.257553 ] [ 0.764051 0.205973 0.19644 ] [ 0.259905 0.175384 0.701598 ] [ 0.179383 0.122049 0.945633 ] [ 0.713726 0.143648 0.477351 ] [ 0.081258 0.0972 0.381797 ] [ 0.581974 0.09105 0.871627 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.06421565 "source-unit" "angstrom" } "b" { "source-value" 9.16352669 "source-unit" "angstrom" } "c" { "source-value" 9.28587857 "source-unit" "angstrom" } "alpha" { "source-value" 111.47544969 "source-unit" "degree" } "beta" { "source-value" 109.82197255 "source-unit" "degree" } "gamma" { "source-value" 98.87795344 "source-unit" "degree" } }