{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.240426 0.75 0.071958 ] [ 0.744355 0.985826 0.286563 ] [ 0.744355 0.514174 0.286563 ] [ 0.255645 0.485826 0.713437 ] [ 0.255645 0.014174 0.713437 ] [ 0.759574 0.25 0.928042 ] [ 0.236439 0.25 0.353809 ] [ 0.763561 0.75 0.646191 ] [ 0.270159 0.75 0.424455 ] [ 0.729841 0.25 0.575545 ] [ 0.258688 0.25 0.090351 ] [ 0.741312 0.75 0.909649 ] [ 0.738447 0.75 0.043472 ] [ 0.058363 0.25 0.159508 ] [ 0.454966 0.25 0.163777 ] [ 0.238519 0.932307 0.330015 ] [ 0.238519 0.567693 0.330015 ] [ 0.527848 0.75 0.48592 ] [ 0.915012 0.25 0.456528 ] [ 0.084988 0.75 0.543472 ] [ 0.472152 0.25 0.51408 ] [ 0.761481 0.432307 0.669985 ] [ 0.761481 0.067693 0.669985 ] [ 0.545034 0.75 0.836223 ] [ 0.941637 0.75 0.840492 ] [ 0.261553 0.25 0.956528 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ni" "Ni" "P" "P" "C" "C" "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" 5.60524572 "source-unit" "angstrom" } "b" { "source-value" 6.89321099 "source-unit" "angstrom" } "c" { "source-value" 9.62948833 "source-unit" "angstrom" } "beta" { "source-value" 90.08606032 "source-unit" "degree" } }