{ "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" [ [ 0.23886 0.125698 0.664378 ] [ 0.1223 0.203435 0.165407 ] [ 0.5 0.5 0 ] [ 0.8777 0.796565 0.834593 ] [ 0.5 0.5 0.5 ] [ 0.76114 0.874302 0.335622 ] [ 0.161063 0.575311 0.917842 ] [ 0.838937 0.424689 0.082158 ] [ 0.570057 0.174233 0.415627 ] [ 0.418488 0.255728 0.081408 ] [ 0.068943 0.917076 0.750887 ] [ 0.754029 0.579173 0.419054 ] [ 0.581512 0.744272 0.918592 ] [ 0.245971 0.420827 0.580946 ] [ 0.931057 0.082924 0.249113 ] [ 0.429943 0.825767 0.584373 ] [ 0.503749 0.916429 0.250478 ] [ 0.496251 0.083571 0.749522 ] [ 0.762484 0.166786 0.915907 ] [ 0.823183 0.239716 0.583857 ] [ 0.099209 0.506322 0.249502 ] [ 0.900791 0.493678 0.750498 ] [ 0.176817 0.760284 0.416143 ] [ 0.237516 0.833214 0.084093 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.05350848 "source-unit" "angstrom" } "b" { "source-value" 5.06155096 "source-unit" "angstrom" } "c" { "source-value" 12.99684392 "source-unit" "angstrom" } "alpha" { "source-value" 87.85422681 "source-unit" "degree" } "beta" { "source-value" 88.13282821 "source-unit" "degree" } "gamma" { "source-value" 62.10262227 "source-unit" "degree" } }