{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0704828 0.1905019 0.722746 ] [ 1.472209 1.144202 0.237838 ] [ 0.7786382 0.019786 2.199824 ] [ 0.3387255 2.988132 0.8463052 ] [ 1.126217 1.885786 2.703629 ] [ 2.677409 0.1439485 2.263239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.04828e-12 1.905019e-11 7.22746e-11 ] [ 1.472209e-10 1.144202e-10 2.37838e-11 ] [ 7.786382e-11 1.9786e-12 2.199824e-10 ] [ 3.387255e-11 2.988132e-10 8.463052e-11 ] [ 1.126217e-10 1.885786e-10 2.703629e-10 ] [ 2.677409e-10 1.439485e-11 2.263239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -499.4760954 -62.8537988 -548.8368536 ] [ 203.4813413 137.547447 -61.1290274 ] [ 215.4200022 -116.1217754 604.92821 ] [ 1.5214815 -5.7316894 2.1438404 ] [ 8.7715505 37.9300267 3.5210183 ] [ 70.2817198 9.2297898 -0.6271878 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.002489226983505e-07 -1.007028869658271e-07 -8.793335754713525e-07 ] [ 3.260130477998855e-07 2.203753038341271e-07 -9.79394985525226e-08 ] [ 3.451408911775246e-07 -1.860475937116686e-07 9.692018353243928e-07 ] [ 2.437682088279715e-09 -9.18317875436718e-09 3.434810967606521e-09 ] [ 1.405357313926655e-08 6.077060200505977e-08 5.641293201668961e-09 ] [ 1.126037283331765e-07 1.478775343245831e-08 -1.004865630010986e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 85.52048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.37018913655594e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.4643474 0.808652 0.9733438 ] [ 1.7009391 0.9219037 0.516309 ] [ 0.9666423 -0.4783043 2.0688458 ] [ 0.4933309 2.7701672 0.5739186 ] [ 0.9140087 1.7020329 2.4606745 ] [ 2.8531078 0.6479049 2.3804896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.643474e-11 8.086520000000001e-11 9.733438e-11 ] [ 1.7009391e-10 9.219037e-11 5.16309e-11 ] [ 9.666423e-11 -4.783043e-11 2.0688458e-10 ] [ 4.933309000000001e-11 2.7701672e-10 5.739186e-11 ] [ 9.140087e-11 1.7020329e-10 2.4606745e-10 ] [ 2.8531078e-10 6.479049e-11 2.3804896e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001972 5.3e-05 -9.47e-05 ] [ -4.9e-06 -9.7e-06 0.0001387 ] [ -4.91e-05 0.0001161 9.44e-05 ] [ -0.0001216 -4.01e-05 6.35e-05 ] [ 5.28e-05 -8.88e-05 -7.45e-05 ] [ -7.44e-05 -3.04e-05 -0.0001275 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.1594922962176e-13 8.49153609024e-14 -1.5172612598976e-13 ] [ -7.850665441919999e-15 -1.554111322176e-14 2.2222189730496e-13 ] [ -7.866687208128001e-14 1.8601270567488e-13 1.5124547300352e-13 ] [ -1.9482467708928e-13 -6.424728249408e-14 1.017382154208e-13 ] [ 8.459492557824e-14 -1.4227328392704e-13 -1.193621582496e-13 ] [ -1.1920194058752e-13 -4.870616927232e-14 -2.04277519152e-13 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }