{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.952967 0.879665 0.857617 ] [ 0.047033 0.379665 0.642383 ] [ 0.952967 0.620335 0.357617 ] [ 0.047033 0.120335 0.142383 ] [ 0.337932 0.528404 0.102568 ] [ 0.662068 0.028404 0.397432 ] [ 0.337932 0.971596 0.602568 ] [ 0.662068 0.471596 0.897432 ] [ 0.716198 0.652196 0.586176 ] [ 0.283802 0.152196 0.913824 ] [ 0.716198 0.847804 0.086176 ] [ 0.283802 0.347804 0.413824 ] [ 0.297971 0.037877 0.062389 ] [ 0.5743 0.821408 0.523321 ] [ 0.702029 0.537877 0.437611 ] [ 0.910227 0.606778 0.820382 ] [ 0.089773 0.106778 0.679618 ] [ 0.5743 0.678592 0.023321 ] [ 0.4257 0.321408 0.976679 ] [ 0.910227 0.893222 0.320382 ] [ 0.089773 0.393222 0.179618 ] [ 0.297971 0.462123 0.562389 ] [ 0.4257 0.178592 0.476679 ] [ 0.702029 0.962123 0.937611 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "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" 5.64462305 "source-unit" "angstrom" } "b" { "source-value" 7.35571095 "source-unit" "angstrom" } "c" { "source-value" 7.62377934 "source-unit" "angstrom" } "beta" { "source-value" 129.93955495 "source-unit" "degree" } }