{ "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" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.936454 -0.9564874 -0.7967862 ] [ -0.7012187 -1.7119097 1.1834426 ] [ 1.8132456 0.7191845 -0.6497977 ] [ -0.6731048 0.4324356 -0.7195544 ] [ 2.497532 1.5167769 0.9826957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.704717946854643e-09 -1.532461750369778e-09 -1.276592221416073e-09 ] [ -1.123476207207769e-09 -2.742781698260742e-09 1.896084065778766e-09 ] [ 2.905139708088468e-09 1.152260591941737e-09 -1.041090683189612e-09 ] [ -1.07843277390826e-09 6.928382083216205e-10 -1.152853237073772e-09 ] [ 4.001487380099866e-09 2.430144488149499e-09 1.574452075900691e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.7236687754088997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.965975055563105e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2047165 1.6472567 2.0755814 ] [ 2.0785594 1.156946 4.3582718 ] [ 4.4169577 2.3540742 1.8046664 ] [ 4.1192753 0.6240036 3.349088 ] [ 3.4192851 2.9952702 3.8197384 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2047165e-10 1.6472567e-10 2.0755814e-10 ] [ 2.0785594e-10 1.156946e-10 4.3582718e-10 ] [ 4.416957700000001e-10 2.3540742e-10 1.8046664e-10 ] [ 4.1192753e-10 6.240036e-11 3.349088e-10 ] [ 3.4192851e-10 2.9952702e-10 3.8197384e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 6e-07 2e-06 ] [ 6.1e-06 6e-07 -3e-07 ] [ 8e-07 1.2e-06 1e-07 ] [ -9e-06 7.2e-06 1.9e-06 ] [ -1.6e-06 -9.6e-06 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.928053496960001e-15 9.6130597248e-16 3.2043532416e-15 ] [ 9.77327738688e-15 9.6130597248e-16 -4.8065298624e-16 ] [ 1.28174129664e-15 1.92261194496e-15 1.6021766208e-16 ] [ -1.44195895872e-14 1.153567166976e-14 3.04413557952e-15 ] [ -2.56348259328e-15 -1.538089555968e-14 -5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }