{ "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" [ [ 0.917634 0.686081 0.128733 ] [ 0.082366 0.313919 0.871267 ] [ 0.417634 0.813919 0.128733 ] [ 0.582366 0.186081 0.871267 ] [ 0.255304 0.943835 0.793741 ] [ 0.755304 0.556165 0.793741 ] [ 0.744696 0.056165 0.206259 ] [ 0.244696 0.443835 0.206259 ] [ 0.36382 0.314149 0.372113 ] [ 0.63618 0.685851 0.627887 ] [ 0.13618 0.814149 0.627887 ] [ 0.86382 0.185851 0.372113 ] [ 0.744323 0.611891 0.571074 ] [ 0.672461 0.843745 0.712813 ] [ 0.523586 0.582133 0.657756 ] [ 0.172461 0.656255 0.712813 ] [ 0.976414 0.082133 0.342244 ] [ 0.023586 0.917867 0.657756 ] [ 0.755677 0.111891 0.428926 ] [ 0.552829 0.763257 0.496706 ] [ 0.476414 0.417867 0.342244 ] [ 0.244323 0.888109 0.571074 ] [ 0.947171 0.263257 0.503294 ] [ 0.447171 0.236743 0.503294 ] [ 0.327539 0.156255 0.287187 ] [ 0.052829 0.736743 0.496706 ] [ 0.255677 0.388109 0.428926 ] [ 0.827539 0.343745 0.287187 ] [ 0.681013 0.542449 0.942989 ] [ 0.560515 0.14318 0.129934 ] [ 0.286057 0.179266 0.761235 ] [ 0.060515 0.35682 0.129934 ] [ 0.786057 0.320734 0.761235 ] [ 0.181013 0.957551 0.942989 ] [ 0.318987 0.457551 0.057011 ] [ 0.713943 0.820734 0.238765 ] [ 0.439485 0.85682 0.870066 ] [ 0.213943 0.679266 0.238765 ] [ 0.939485 0.64318 0.870066 ] [ 0.818987 0.042449 0.057011 ] [ 0.312757 0.931808 0.528001 ] [ 0.309938 0.04868 0.235885 ] [ 0.812757 0.568192 0.528001 ] [ 0.687243 0.068192 0.471999 ] [ 0.809938 0.45132 0.235885 ] [ 0.446452 0.517891 0.675537 ] [ 0.553548 0.482109 0.324463 ] [ 0.690062 0.95132 0.764115 ] [ 0.999637 0.310527 0.591672 ] [ 0.053548 0.017891 0.324463 ] [ 0.187243 0.431808 0.471999 ] [ 0.190062 0.54868 0.764115 ] [ 0.499637 0.189473 0.591672 ] [ 0.946452 0.982109 0.675537 ] [ 0.500363 0.810527 0.408328 ] [ 0.000363 0.689473 0.408328 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ga" "Ga" "Ga" "Ga" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 11.8232709561 "source-unit" "angstrom" } "b" { "source-value" 9.24597812 "source-unit" "angstrom" } "c" { "source-value" 12.2038649712 "source-unit" "angstrom" } "beta" { "source-value" 107.328872595 "source-unit" "degree" } }