{ "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" [ [ 0.754119 0.526284 0.253905 ] [ 0.754119 0.973716 0.253905 ] [ 0.245881 0.473716 0.746095 ] [ 0.245881 0.026284 0.746095 ] [ 0.226474 0.25 0.359073 ] [ 0.773526 0.75 0.640927 ] [ 0.280846 0.75 0.428979 ] [ 0.719154 0.25 0.571021 ] [ 0.272017 0.25 0.10197 ] [ 0.727983 0.75 0.89803 ] [ 0.70589 0.75 0.027847 ] [ 0.060426 0.25 0.164817 ] [ 0.459124 0.25 0.1878 ] [ 0.236959 0.92989 0.339314 ] [ 0.236959 0.57011 0.339314 ] [ 0.884685 0.25 0.440474 ] [ 0.558914 0.75 0.474398 ] [ 0.441086 0.25 0.525602 ] [ 0.115315 0.75 0.559526 ] [ 0.763041 0.42989 0.660686 ] [ 0.763041 0.07011 0.660686 ] [ 0.540876 0.75 0.8122 ] [ 0.939574 0.75 0.835183 ] [ 0.29411 0.25 0.972153 ] ] } "species" { "source-value" [ "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" 5.42835825 "source-unit" "angstrom" } "b" { "source-value" 7.04686007 "source-unit" "angstrom" } "c" { "source-value" 9.58949015 "source-unit" "angstrom" } "beta" { "source-value" 90.29039909 "source-unit" "degree" } }