{ "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" [ [ 0.252311 0.176193 0.86332 ] [ 0.252311 0.323807 0.36332 ] [ 0.747689 0.676193 0.63668 ] [ 0.747689 0.823807 0.13668 ] [ 0.19063 0.872557 0.911748 ] [ 0.141877 0.469272 0.742868 ] [ 0.225921 0.747387 0.671696 ] [ 0.19063 0.627443 0.411748 ] [ 0.141877 0.030728 0.242868 ] [ 0.290132 0.058415 0.54895 ] [ 0.225921 0.752613 0.171696 ] [ 0.488233 0.902524 0.780011 ] [ 0.290132 0.441585 0.04895 ] [ 0.511767 0.402524 0.719989 ] [ 0.488233 0.597476 0.280011 ] [ 0.709868 0.558415 0.95105 ] [ 0.511767 0.097476 0.219989 ] [ 0.774079 0.247387 0.828304 ] [ 0.709868 0.941585 0.45105 ] [ 0.858123 0.969272 0.757132 ] [ 0.80937 0.372557 0.588252 ] [ 0.774079 0.252613 0.328304 ] [ 0.858123 0.530728 0.257132 ] [ 0.80937 0.127443 0.088252 ] [ 0.076862 0.982414 0.839479 ] [ 0.10487 0.779309 0.781221 ] [ 0.222719 0.51257 0.906449 ] [ 0.133198 0.657452 0.567458 ] [ 0.076862 0.517586 0.339479 ] [ 0.10487 0.720691 0.281221 ] [ 0.241004 0.174064 0.550342 ] [ 0.271222 0.403652 0.667578 ] [ 0.222719 0.98743 0.406449 ] [ 0.42481 0.883948 0.938798 ] [ 0.133198 0.842548 0.067458 ] [ 0.400932 0.013732 0.705489 ] [ 0.419296 0.798543 0.66739 ] [ 0.241004 0.325936 0.050342 ] [ 0.271222 0.096348 0.167578 ] [ 0.42481 0.616052 0.438798 ] [ 0.580704 0.298543 0.83261 ] [ 0.599068 0.513732 0.794511 ] [ 0.400932 0.486268 0.205489 ] [ 0.419296 0.701457 0.16739 ] [ 0.57519 0.383948 0.561202 ] [ 0.728778 0.903652 0.832422 ] [ 0.758996 0.674064 0.949658 ] [ 0.580704 0.201457 0.33261 ] [ 0.599068 0.986268 0.294511 ] [ 0.866802 0.157452 0.932542 ] [ 0.57519 0.116052 0.061202 ] [ 0.777281 0.01257 0.593551 ] [ 0.728778 0.596348 0.332422 ] [ 0.758996 0.825936 0.449658 ] [ 0.89513 0.279309 0.718779 ] [ 0.923138 0.482414 0.660521 ] [ 0.866802 0.342548 0.432542 ] [ 0.777281 0.48743 0.093551 ] [ 0.89513 0.220691 0.218779 ] [ 0.923138 0.017586 0.160521 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.38490878 "source-unit" "angstrom" } "b" { "source-value" 11.48887148 "source-unit" "angstrom" } "c" { "source-value" 8.14422628 "source-unit" "angstrom" } "beta" { "source-value" 105.65869555 "source-unit" "degree" } }