{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0658011 -0.0478458 -0.1966237 ] [ -0.9244372 -28.1948223 10.9026402 ] [ -6.8617932 21.3455016 -7.3907125 ] [ -19.5947842 -47.9443243 -43.809329 ] [ 22.8236591 32.3816854 41.9297966 ] [ 4.4915544 22.4598054 -1.4357717 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.054249849114974e-10 -7.66574227950372e-11 -3.150258978306258e-10 ] [ -1.481111681440384e-09 -4.517308548884213e-08 1.746795537734909e-08 ] [ -1.099380473238009e-08 3.419926390452961e-08 -1.184122687611172e-08 ] [ -3.139430539351238e-08 -7.68152761263784e-08 -7.019028327501858e-08 ] [ 3.656753331240147e-08 5.188117971741894e-08 6.717894038089264e-08 ] [ 7.196263510019889e-09 3.598457541606703e-08 -2.300359869498457e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.8012751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.570337394862601e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0295231 0.6199703 0.5322307 ] [ 0.7094097 0.4331838 3.0571588 ] [ 0.1089338 2.6807301 1.9805819 ] [ 2.2331427 -0.4652706 1.1223707 ] [ 3.1458448 1.1851757 2.7938287 ] [ 2.3458473 3.3794858 2.364428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.95231e-12 6.199703e-11 5.322307e-11 ] [ 7.094097000000001e-11 4.331838e-11 3.0571588e-10 ] [ 1.089338e-11 2.6807301e-10 1.9805819e-10 ] [ 2.2331427e-10 -4.652706e-11 1.1223707e-10 ] [ 3.1458448e-10 1.1851757e-10 2.7938287e-10 ] [ 2.3458473e-10 3.3794858e-10 2.364428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.62e-05 -1.05e-05 9.7e-06 ] [ -1.13e-05 -7.7e-06 -7.9e-06 ] [ 6.1e-06 -5.8e-06 -2.22e-05 ] [ 5.6e-06 2.48e-05 8.4e-06 ] [ 2.1e-05 -1.67e-05 8e-07 ] [ 4.8e-06 1.58e-05 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.197702781079999e-14 -1.6822854657e-14 1.55411133498e-14 ] [ -1.81045959642e-14 -1.23367600818e-14 -1.26571954086e-14 ] [ 9.773277467399999e-15 -9.2926244772e-15 -3.55683212748e-14 ] [ 8.972189150399999e-15 3.97339805232e-14 1.34582837256e-14 ] [ 3.364570931399999e-14 -2.67563497878e-14 1.2817413072e-15 ] [ 7.690447843199998e-15 2.53143908172e-14 1.79443783008e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.047461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250651378122627e-18 } }