{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.8138165 0.6750796 -4.2023019 ] [ -3.1596194 8.5091254 -0.4970124 ] [ 23.7116077 -9.0573346 5.2531522 ] [ 0.6519851 0.5918944 0.111329 ] [ 0.6098431 -0.7187648 -0.6651669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.494958680672129e-08 1.081596752299016e-09 -6.73282985772342e-09 ] [ -5.062268333306123e-09 1.363312177933545e-08 -7.963016475276979e-10 ] [ 3.799018349852126e-08 -1.451144974288292e-08 8.416477640344086e-09 ] [ 1.04459528432995e-09 9.483193696624435e-10 1.783687210170432e-10 ] [ 9.770763571761965e-10 -1.151588158413988e-09 -1.065714856110012e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.939122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.515522416478938e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3582494 0.3900762 1.7277925 ] [ -0.0053439 2.3916223 0.7223459 ] [ 2.4830041 0.3812448 2.5244436 ] [ 1.894721 3.6197811 0.8975223 ] [ 3.4325816 2.3773266 2.0113484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.582494e-11 3.900762e-11 1.7277925e-10 ] [ -5.3439e-13 2.3916223e-10 7.223459e-11 ] [ 2.4830041e-10 3.812448e-11 2.5244436e-10 ] [ 1.894721e-10 3.6197811e-10 8.975223000000001e-11 ] [ 3.4325816e-10 2.3773266e-10 2.0113484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.52e-05 7.3e-06 9.6e-06 ] [ -1.9e-05 -4.2e-06 -2.18e-05 ] [ -1.08e-05 -2.14e-05 1.03e-05 ] [ 1.94e-05 -2e-06 2.77e-05 ] [ -4.8e-06 2.02e-05 -2.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.435308463616e-14 1.169588933184e-14 1.538089555968e-14 ] [ -3.04413557952e-14 -6.72914180736e-15 -3.492745033344e-14 ] [ -1.730350750464e-14 -3.428657968511999e-14 1.650241919424e-14 ] [ 3.108222644352e-14 -3.2043532416e-15 4.438029239616e-14 ] [ -7.69044777984e-15 3.236396774016e-14 -4.133615681664e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.066442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41391011310392e-18 } }