{ "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" [ [ 0.012221 0.00583 0.993979 ] [ 0.252049 0.235152 0.747872 ] [ 0.510032 0.510205 0.514447 ] [ 0.759921 0.761024 0.261381 ] [ 0.940796 0.424196 0.312426 ] [ 0.203018 0.682494 0.055532 ] [ 0.792704 0.316929 0.935729 ] [ 0.698728 0.179788 0.563803 ] [ 0.543587 0.063923 0.188328 ] [ 0.048444 0.568737 0.684323 ] [ 0.452584 0.933496 0.809353 ] [ 0.299993 0.816044 0.436675 ] [ 0.427079 0.144185 0.965203 ] [ 0.331309 0.030062 0.605095 ] [ 0.677869 0.394629 0.71487 ] [ 0.590492 0.291056 0.35005 ] [ 0.074631 0.775395 0.865929 ] [ 0.916154 0.635093 0.456777 ] [ 0.842255 0.536671 0.113832 ] [ 0.828559 0.107213 0.787946 ] [ 0.166984 0.887453 0.204778 ] [ 0.178143 0.483225 0.905927 ] [ 0.078073 0.361542 0.519117 ] [ 0.92725 0.231092 0.15644 ] [ 0.415743 0.718383 0.642883 ] [ 0.309154 0.597299 0.273951 ] [ 0.665748 0.968647 0.392712 ] [ 0.556476 0.840235 0.040642 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.24035939 "source-unit" "angstrom" } "b" { "source-value" 7.81963905 "source-unit" "angstrom" } "c" { "source-value" 7.84151263 "source-unit" "angstrom" } "alpha" { "source-value" 94.63497961 "source-unit" "degree" } "beta" { "source-value" 95.13423915 "source-unit" "degree" } "gamma" { "source-value" 109.27245236 "source-unit" "degree" } }