{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.999403 0.488857 0.997901 ] [ 0.450512 0.213982 0.837815 ] [ 0.503092 0.484663 0.504646 ] [ 0.496908 0.984663 0.495354 ] [ 0.549488 0.713982 0.162185 ] [ 0.000597 0.988857 0.002099 ] [ 0.041763 0.739921 0.721189 ] [ 0.958237 0.239921 0.278811 ] [ 0.984298 0.237582 0.654261 ] [ 0.015702 0.737582 0.345739 ] [ 0.490289 0.739885 0.836264 ] [ 0.509711 0.239885 0.163736 ] [ 0.305097 0.740353 0.931142 ] [ 0.71789 0.743985 0.886836 ] [ 0.083403 0.056786 0.748561 ] [ 0.06907 0.422324 0.748009 ] [ 0.438825 0.736757 0.695076 ] [ 0.699184 0.229005 0.638631 ] [ 0.112814 0.240501 0.499925 ] [ 0.887186 0.740501 0.500075 ] [ 0.300816 0.729005 0.361369 ] [ 0.561175 0.236757 0.304924 ] [ 0.93093 0.922324 0.251991 ] [ 0.916597 0.556786 0.251439 ] [ 0.28211 0.243985 0.113164 ] [ 0.694903 0.240353 0.068858 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "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" 5.4003003 "source-unit" "angstrom" } "b" { "source-value" 6.77614684 "source-unit" "angstrom" } "c" { "source-value" 8.9156393 "source-unit" "angstrom" } "beta" { "source-value" 91.03427626 "source-unit" "degree" } }