{ "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" [ [ 0.19695 0.77855 2.710152 ] [ 1.11009 0.0001542 2.008775 ] [ 0.4144899 1.96716 0.2031325 ] [ 1.283205 2.99395 1.505794 ] [ 2.698669 0.3602939 2.825256 ] [ 2.163799 2.696333 2.742799 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9695e-11 7.7855e-11 2.710152e-10 ] [ 1.11009e-10 1.542e-14 2.008775e-10 ] [ 4.144899e-11 1.96716e-10 2.031325e-11 ] [ 1.283205e-10 2.99395e-10 1.505794e-10 ] [ 2.698669e-10 3.602939e-11 2.825256e-10 ] [ 2.163799e-10 2.696333e-10 2.742799e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -54.6711706 32.9049156 37.5899873 ] [ 28.1223817 -50.8430969 -41.8942307 ] [ -7.2471122 -6.697218 -13.6704015 ] [ -15.0885192 23.9886193 -24.156651 ] [ 21.6991679 -0.5944114 8.6094898 ] [ 27.1852523 1.2411915 33.5218062 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.759287136708831e-08 5.271948648371722e-08 6.02257988282289e-08 ] [ 4.505702248095376e-08 -8.145962118224896e-08 -6.712195697394163e-08 ] [ -1.161115373515445e-08 -1.073012610400094e-08 -2.190239768024925e-08 ] [ -2.417447270473192e-08 3.843400500773167e-08 -3.870322146902495e-08 ] [ 3.476589950019383e-08 -9.52352048216997e-10 1.379392327457607e-08 ] [ 4.355557566560943e-08 1.988608003235683e-09 5.370785418062849e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.230063 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.882084045911111e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0803163 1.220915 3.2286481 ] [ 0.9887272 -0.2492748 1.6331282 ] [ 0.5789988 1.4739491 0.0526549 ] [ 1.2881088 3.4021733 1.2399752 ] [ 3.1026379 0.4781718 2.533679 ] [ 1.9890465 2.4705066 3.307823 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.03163e-12 1.220915e-10 3.2286481e-10 ] [ 9.887272000000001e-11 -2.492748e-11 1.6331282e-10 ] [ 5.789988e-11 1.4739491e-10 5.26549e-12 ] [ 1.2881088e-10 3.4021733e-10 1.2399752e-10 ] [ 3.1026379e-10 4.781718e-11 2.533679e-10 ] [ 1.9890465e-10 2.4705066e-10 3.307823e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.52e-05 -2.58e-05 -1.44e-05 ] [ -1e-07 3.8e-06 8.3e-06 ] [ -4.5e-06 5.6e-06 1.96e-05 ] [ 1.14e-05 -0.0 -1.14e-05 ] [ -3.2e-06 -1.1e-06 -6.5e-06 ] [ 1.15e-05 1.75e-05 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.435308463616e-14 -4.133615681664e-14 -2.307134333952e-14 ] [ -1.6021766208e-16 6.08827115904e-15 1.329806595264e-14 ] [ -7.2097947936e-15 8.972189076479999e-15 3.140266176767999e-14 ] [ 1.826481347712e-14 0.0 -1.826481347712e-14 ] [ -5.126965186560001e-15 -1.76239428288e-15 -1.04141480352e-14 ] [ 1.84250311392e-14 2.8038090864e-14 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.112917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421356228949088e-18 } }