{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.4875936 -19.0638757 -1.7172926 ] [ -19.3448794 20.4780905 -14.6294246 ] [ -0.3013699 -2.9549679 17.6209464 ] [ -3.9278555 4.9094877 1.2401808 ] [ 6.6956607 -3.4043067 -2.3652714 ] [ 0.5026504 0.8871894 0.0924042 ] [ -1.1117998 -0.8516175 -0.2415428 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.801821385080794e-08 -3.054369620002039e-08 -2.751406077461108e-09 ] [ -3.099391376222794e-08 3.280951810803737e-08 -2.343892226298479e-08 ] [ -4.828478119709165e-10 -4.734380523600049e-09 2.823186859104642e-08 ] [ -6.293118303828386e-09 7.8658664778504e-09 1.986988699695427e-09 ] [ 1.072763112273208e-08 -5.454300649709647e-09 -3.789582570148467e-09 ] [ 8.053347259507536e-10 1.421434126612479e-09 1.480478501234628e-10 ] [ -1.781299661245873e-09 -1.364441659605495e-09 -3.869942302709352e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.847162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.898124613561271e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0998473 1.3371425 1.9206754 ] [ 1.2440051 3.2169958 2.1054122 ] [ 2.0923278 1.9881678 4.1532797 ] [ 2.7032805 5.1200314 2.9254174 ] [ 5.0994211 2.6928802 2.6869022 ] [ 3.5730339 3.7628048 0.9696861 ] [ 3.8438073 3.6762725 4.5704636 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0998473e-10 1.3371425e-10 1.9206754e-10 ] [ 1.2440051e-10 3.2169958e-10 2.1054122e-10 ] [ 2.0923278e-10 1.9881678e-10 4.1532797e-10 ] [ 2.7032805e-10 5.1200314e-10 2.925417400000001e-10 ] [ 5.0994211e-10 2.6928802e-10 2.6869022e-10 ] [ 3.5730339e-10 3.7628048e-10 9.696861e-11 ] [ 3.8438073e-10 3.6762725e-10 4.5704636e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.64e-05 -2.86e-05 3.8e-05 ] [ 3.12e-05 2.6e-05 1.51e-05 ] [ -3.6e-06 -2.26e-05 -4.23e-05 ] [ -3.56e-05 3.18e-05 -1.54e-05 ] [ 2.27e-05 -3e-07 2.9e-06 ] [ -1.09e-05 4.8e-06 1.71e-05 ] [ 1.26e-05 -1.11e-05 -1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.62756967976e-14 -4.58222517324e-14 6.088271209199999e-14 ] [ 4.998791098079999e-14 4.165659248399999e-14 2.41928671734e-14 ] [ -5.767835882399999e-15 -3.62091919284e-14 -6.77720716182e-14 ] [ -5.703748817039999e-14 5.09492169612e-14 -2.46735201636e-14 ] [ 3.636940959179999e-14 -4.806529901999999e-16 4.6463122386e-15 ] [ -1.74637253106e-14 7.690447843199998e-15 2.73972204414e-14 ] [ 2.01874255884e-14 -1.77841606374e-14 -2.4833737827e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }