{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6075377 0.4051731 -0.6163639 ] [ -2.912883 -0.3802992 4.3697785 ] [ 4.3007168 -1.8932823 -2.4247143 ] [ 0.9179121 2.0786883 -0.1921017 ] [ -1.6982083 -0.2102799 -1.1365987 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.73382699194604e-10 6.491588681970606e-10 -9.875238304851092e-10 ] [ -4.666953041725767e-09 -6.093064871489434e-10 7.001156950774492e-09 ] [ 6.890507909641789e-09 -3.033372637634452e-09 -3.884820563579438e-09 ] [ 1.470657306569432e-09 3.330425796190497e-09 -3.077808525559353e-10 ] [ -2.720829635508512e-09 -3.369055396041619e-10 -1.821031864371673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.466606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.837152805312501e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.430391 2.1436381 -0.1271254 ] [ 1.5943383 1.7025768 2.9687149 ] [ 2.9088323 0.8152205 1.1890013 ] [ 1.8027543 3.6814165 1.6559218 ] [ 4.0426502 2.8987411 1.4257952 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.430391e-10 2.1436381e-10 -1.271254e-11 ] [ 1.5943383e-10 1.7025768e-10 2.968714900000001e-10 ] [ 2.9088323e-10 8.152205e-11 1.1890013e-10 ] [ 1.8027543e-10 3.6814165e-10 1.6559218e-10 ] [ 4.0426502e-10 2.8987411e-10 1.4257952e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 1.7e-06 4e-07 ] [ 2.6e-06 -5.4e-06 -1.5e-06 ] [ -1.9e-06 6e-07 4.3e-06 ] [ -3e-07 3.1e-06 -3.5e-06 ] [ 4e-07 0.0 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 2.72370025536e-15 6.408706483200001e-16 ] [ 4.16565921408e-15 -8.65175375232e-15 -2.4032649312e-15 ] [ -3.04413557952e-15 9.6130597248e-16 6.889359469440001e-15 ] [ -4.8065298624e-16 4.96674752448e-15 -5.6076181728e-15 ] [ 6.408706483200001e-16 0.0 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }