{ "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" [ [ 0.846187 0.912191 0.13904 ] [ 0.153813 0.087809 0.86096 ] [ 0.846167 0.787335 0.546875 ] [ 0.667387 0.100521 0.792844 ] [ 0.665812 0.530398 0.778419 ] [ 0.334188 0.469602 0.221581 ] [ 0.332613 0.899479 0.207156 ] [ 0.153833 0.212665 0.453125 ] [ 0.951906 0.156085 0.340757 ] [ 0.847267 0.742372 0.341702 ] [ 0.842626 0.084757 0.929244 ] [ 0.793705 0.657479 0.941853 ] [ 0.690997 0.951438 0.60166 ] [ 0.718231 0.309194 0.731357 ] [ 0.726388 0.590474 0.592727 ] [ 0.559273 0.456848 0.194364 ] [ 0.545906 0.928697 0.161337 ] [ 0.454094 0.071303 0.838663 ] [ 0.440727 0.543152 0.805636 ] [ 0.273612 0.409526 0.407273 ] [ 0.281769 0.690806 0.268643 ] [ 0.309003 0.048562 0.39834 ] [ 0.206295 0.342521 0.058147 ] [ 0.157374 0.915243 0.070756 ] [ 0.152733 0.257628 0.658298 ] [ 0.048094 0.843915 0.659243 ] ] } "species" { "source-value" [ "Ni" "Ni" "P" "P" "P" "P" "P" "P" "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" 6.59495945 "source-unit" "angstrom" } "b" { "source-value" 6.93682241 "source-unit" "angstrom" } "c" { "source-value" 7.5094707 "source-unit" "angstrom" } "alpha" { "source-value" 101.93108056 "source-unit" "degree" } "beta" { "source-value" 93.8383686 "source-unit" "degree" } "gamma" { "source-value" 96.00549482 "source-unit" "degree" } }