{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2912383 -13.0431724 8.9777575 ] [ -18.762136 0.8943146 -28.9276203 ] [ -27.8981729 8.0010311 7.7842083 ] [ 0.4133163 19.0893963 13.2229895 ] [ 8.4957952 -23.7174229 -15.3189531 ] [ 15.1139934 14.6095358 -12.1825701 ] [ 30.9284422 -5.8336825 26.4441881 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.328402816174154e-08 -2.089746588034383e-08 1.438395317371185e-08 ] [ -3.006025565547003e-08 1.432849943760104e-09 -4.634715694003948e-08 ] [ -4.469780038341614e-08 1.281906497071371e-08 1.247167654969731e-08 ] [ 6.62205712855559e-10 3.058458445704603e-08 2.118556463398388e-08 ] [ 1.361176444454486e-08 -3.799950047600654e-08 -2.454366851195168e-08 ] [ 2.421528687240551e-08 2.340705669950062e-08 -1.951862899547712e-08 ] [ 4.955282701060412e-08 -9.346589714670095e-09 4.236825992985757e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.742258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.041534786380177e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2462896 1.9179637 3.1240719 ] [ 3.3206527 3.1669784 0.2710507 ] [ 1.1867544 4.1019038 4.0368835 ] [ 3.314938 4.9956766 3.5214969 ] [ 3.4032437 1.7562234 2.1675118 ] [ 3.2611218 5.3509171 1.1838655 ] [ 4.6758428 3.068034 3.6670818 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2462896e-10 1.9179637e-10 3.1240719e-10 ] [ 3.3206527e-10 3.1669784e-10 2.710507e-11 ] [ 1.1867544e-10 4.1019038e-10 4.0368835e-10 ] [ 3.314938e-10 4.995676600000001e-10 3.5214969e-10 ] [ 3.4032437e-10 1.7562234e-10 2.1675118e-10 ] [ 3.2611218e-10 5.3509171e-10 1.1838655e-10 ] [ 4.6758428e-10 3.068034e-10 3.6670818e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.7e-06 -1.13e-05 -1.56e-05 ] [ -1.07e-05 -1.09e-05 -1.29e-05 ] [ 3.7e-06 1.2e-05 -5.6e-06 ] [ -5e-07 3.41e-05 2.31e-05 ] [ 4.3e-06 -2.56e-05 -9e-07 ] [ -1.2e-05 1.35e-05 -4e-06 ] [ 2.4e-05 -1.18e-05 1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.393893660096e-14 -1.810459581504e-14 -2.499395528448e-14 ] [ -1.714328984256e-14 -1.746372516672e-14 -2.066807840832e-14 ] [ 5.928053496960001e-15 1.92261194496e-14 -8.972189076479999e-15 ] [ -8.010883104e-16 5.463422276928e-14 3.701027994048e-14 ] [ 6.889359469440001e-15 -4.101572149248001e-14 -1.44195895872e-15 ] [ -1.92261194496e-14 2.16293843808e-14 -6.4087064832e-15 ] [ 3.84522388992e-14 -1.890568412544e-14 2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }