{ "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" [ [ 0.818102 0.399956 0.80581 ] [ 0.181898 0.600044 0.19419 ] [ 0 0 0 ] [ 0.294933 0.787801 0.674905 ] [ 0.705067 0.212199 0.325095 ] [ 0.228749 0.343183 0.620043 ] [ 0.771251 0.656817 0.379957 ] [ 0.574155 0.053708 0.806215 ] [ 0.425845 0.946292 0.193785 ] [ 0.407402 0.491737 0.667236 ] [ 0.592598 0.508263 0.332764 ] [ 0.035123 0.75292 0.772132 ] [ 0.964877 0.24708 0.227868 ] [ 0.152392 0.781957 0.450673 ] [ 0.847608 0.218043 0.549327 ] [ 0.135807 0.331133 0.958954 ] [ 0.864193 0.668867 0.041046 ] ] } "species" { "source-value" [ "Fe" "Fe" "Cu" "As" "As" "H" "H" "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" 5.23109104694 "source-unit" "angstrom" } "b" { "source-value" 5.39686904282 "source-unit" "angstrom" } "c" { "source-value" 7.86148141011 "source-unit" "angstrom" } "alpha" { "source-value" 104.642378886 "source-unit" "degree" } "beta" { "source-value" 105.2972529 "source-unit" "degree" } "gamma" { "source-value" 102.236445367 "source-unit" "degree" } }