{ "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" [ [ 0.5834212 0.4864796 1.920549 ] [ 1.105833 1.594471 0.5913636 ] [ 0.1509893 2.698828 2.704799 ] [ 2.461816 0.3168887 1.8618 ] [ 2.990224 2.253685 0.1987983 ] [ 2.155559 1.839196 2.850141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.834212e-11 4.864796e-11 1.920549e-10 ] [ 1.105833e-10 1.594471e-10 5.913636000000001e-11 ] [ 1.509893e-11 2.698828e-10 2.704799e-10 ] [ 2.461816e-10 3.168887e-11 1.8618e-10 ] [ 2.990224e-10 2.253685e-10 1.987983e-11 ] [ 2.155559e-10 1.839196e-10 2.850141e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.054277 -19.1284562 13.8707403 ] [ -6.8035966 15.9966594 -22.4105834 ] [ -4.4629738 3.5560741 0.1622361 ] [ 24.0777172 -23.5341652 -7.9572154 ] [ 7.0405628 2.0909608 -0.3044611 ] [ 7.2025673 21.0189271 16.6392835 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.334573010204716e-08 -3.064716531563681e-08 2.222337582184838e-08 ] [ -1.090056340987437e-08 2.562947370158055e-08 -3.590571278196857e-08 ] [ -7.150472281602935e-09 5.697458784852401e-09 2.599308864697709e-10 ] [ 3.857675558007404e-08 -3.770588927348496e-08 -1.274886448054972e-08 ] [ 1.128022511543419e-08 3.350088508769265e-09 -4.878004563630508e-10 ] [ 1.153978493779858e-08 3.367603359391954e-08 2.66590710105632e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.0353758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.12719146253021e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.281256 0.1403236 1.823486 ] [ 0.6068456 2.0544646 0.2124333 ] [ 0.1598949 2.5171507 2.6631032 ] [ 2.7321432 0.0517542 1.9995544 ] [ 3.0600858 2.0398434 0.4800278 ] [ 2.6076169 2.3860118 2.9488461 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.81256e-11 1.403236e-11 1.823486e-10 ] [ 6.068456e-11 2.0544646e-10 2.124333e-11 ] [ 1.598949e-11 2.5171507e-10 2.6631032e-10 ] [ 2.7321432e-10 5.17542e-12 1.9995544e-10 ] [ 3.0600858e-10 2.0398434e-10 4.800278e-11 ] [ 2.6076169e-10 2.3860118e-10 2.9488461e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.54e-05 -4.2e-05 2.8e-06 ] [ 2.82e-05 -1.42e-05 -8e-06 ] [ -2.73e-05 2.66e-05 1.08e-05 ] [ 3e-06 -1.94e-05 -3.67e-05 ] [ -3.4e-06 4.6e-06 -5.8e-06 ] [ 3.48e-05 4.43e-05 3.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.671705237632e-14 -6.72914180736e-14 4.48609453824e-15 ] [ 4.518138070656001e-14 -2.275090801536e-14 -1.28174129664e-14 ] [ -4.373942174784e-14 4.261789811328e-14 1.730350750464e-14 ] [ 4.8065298624e-15 -3.108222644352e-14 -5.879988198335999e-14 ] [ -5.44740051072e-15 7.370012455680001e-15 -9.292624400640001e-15 ] [ 5.575574640383999e-14 7.097642430144e-14 5.912031730752001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.617785 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.342027337488093e-18 } }