{ "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" [ [ 0.967536 0.25 0.267626 ] [ 0.032464 0.75 0.732374 ] [ 0.466144 0.75 0.222791 ] [ 0.533856 0.25 0.777209 ] [ 0.399926 0.25 0.097795 ] [ 0.916595 0.75 0.414536 ] [ 0.083405 0.25 0.585464 ] [ 0.600074 0.75 0.902205 ] [ 0.701226 0.75 0.052985 ] [ 0.708809 0.25 0.110676 ] [ 0.264481 0.06217 0.170054 ] [ 0.264481 0.43783 0.170054 ] [ 0.770284 0.936416 0.32937 ] [ 0.770284 0.563584 0.32937 ] [ 0.226856 0.75 0.402576 ] [ 0.164288 0.25 0.443477 ] [ 0.835712 0.75 0.556523 ] [ 0.773144 0.25 0.597424 ] [ 0.229716 0.063584 0.67063 ] [ 0.229716 0.436416 0.67063 ] [ 0.735519 0.56217 0.829946 ] [ 0.735519 0.93783 0.829946 ] [ 0.291191 0.75 0.889324 ] [ 0.298774 0.25 0.947015 ] ] } "species" { "source-value" [ "Ni" "Ni" "Te" "Te" "P" "P" "P" "P" "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" 4.90336378 "source-unit" "angstrom" } "b" { "source-value" 6.41526254 "source-unit" "angstrom" } "c" { "source-value" 10.02655151 "source-unit" "angstrom" } "beta" { "source-value" 93.37627409 "source-unit" "degree" } }