{ "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" [ [ 0.977123 0.494364 0.578806 ] [ 0.022877 0.994364 0.421194 ] [ 0.561818 0.748014 0.699949 ] [ 0.712935 0.469337 0.029524 ] [ 0.438182 0.248014 0.300051 ] [ 0.287065 0.969337 0.970476 ] [ 0.783839 0.15669 0.064791 ] [ 0.391682 0.544478 0.316726 ] [ 0.216161 0.65669 0.935209 ] [ 0.608318 0.044478 0.683274 ] [ 0.839095 0.870198 0.059507 ] [ 0.013926 0.746549 0.49428 ] [ 0.160905 0.370198 0.940493 ] [ 0.986074 0.246549 0.50572 ] [ 0.456453 0.87603 0.33544 ] [ 0.543547 0.37603 0.66456 ] [ 0.100376 0.503684 0.309084 ] [ 0.441985 0.106845 0.501935 ] [ 0.558015 0.606845 0.498065 ] [ 0.899624 0.003684 0.690916 ] [ 0.268603 0.783947 0.903371 ] [ 0.411497 0.943035 0.696028 ] [ 0.909476 0.618299 0.872544 ] [ 0.620324 0.117224 0.861142 ] [ 0.358422 0.589407 0.81024 ] [ 0.090524 0.118299 0.127456 ] [ 0.641578 0.089407 0.18976 ] [ 0.588503 0.443035 0.303972 ] [ 0.379676 0.617224 0.138858 ] [ 0.731397 0.283947 0.096629 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Si" "Si" "Si" "Si" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.41138953633 "source-unit" "angstrom" } "b" { "source-value" 12.24198524 "source-unit" "angstrom" } "c" { "source-value" 7.97231568221 "source-unit" "angstrom" } "beta" { "source-value" 108.912807811 "source-unit" "degree" } }