{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.496674 0.492235 0.000309 ] [ 0.503761 0.834943 0.330695 ] [ 0.482043 0.171702 0.669585 ] [ 0.006073 0.331175 0.340447 ] [ 0.005833 0.66132 0.664802 ] [ 0.008738 0.006013 0.995432 ] [ 0.194586 0.369839 0.567174 ] [ 0.303125 0.203931 0.898293 ] [ 0.195822 0.034173 0.23254 ] [ 0.197554 0.701554 0.898753 ] [ 0.302613 0.536184 0.232436 ] [ 0.303399 0.868509 0.564138 ] [ 0.693106 0.132773 0.438014 ] [ 0.699446 0.464334 0.768112 ] [ 0.698071 0.797794 0.096121 ] [ 0.802065 0.964406 0.76401 ] [ 0.806305 0.297709 0.105671 ] [ 0.800789 0.631406 0.43347 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "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" 4.68969758 "source-unit" "angstrom" } "b" { "source-value" 5.6228927 "source-unit" "angstrom" } "c" { "source-value" 7.76212772 "source-unit" "angstrom" } "alpha" { "source-value" 93.7537457 "source-unit" "degree" } "beta" { "source-value" 90.00481755 "source-unit" "degree" } "gamma" { "source-value" 90.00101765 "source-unit" "degree" } }