{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.7346162 -5.6212991 -13.4194747 ] [ -9.3990593 -11.9916268 15.0174229 ] [ 1.2037779 11.1386354 -6.3960819 ] [ -3.2118559 14.3561877 11.6824518 ] [ 10.1686344 -15.0970071 -12.6556918 ] [ 12.7830261 3.5532325 7.7662399 ] [ 1.1900929 3.6618773 -1.9948663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.040310435050094e-08 -9.006313996544081e-09 -2.150036862775709e-08 ] [ -1.505895306797281e-08 -1.921270410431872e-08 2.406056387504654e-08 ] [ 1.92866480801572e-09 1.784606122549526e-08 -1.024765288490205e-08 ] [ -5.145960432358544e-09 2.300114829675652e-08 1.871735114758288e-08 ] [ 1.629194830114263e-08 -2.418807181967161e-08 -2.027665352201027e-08 ] [ 2.048066556049621e-08 5.692906039766736e-09 1.244288799930413e-08 ] [ 1.906739020960072e-09 5.866974198298228e-09 -3.196128147481799e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.5929645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.154387100464362e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.578211 1.8575156 2.2180142 ] [ 1.2853365 1.7585929 4.6179011 ] [ 2.3779625 4.2432248 2.4501406 ] [ 2.4137278 3.8732501 4.9495249 ] [ 3.858368 1.1714229 1.7876885 ] [ 4.7832038 3.40264 4.8112044 ] [ 4.7382583 3.3427897 2.3926472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.578211e-10 1.8575156e-10 2.2180142e-10 ] [ 1.2853365e-10 1.7585929e-10 4.6179011e-10 ] [ 2.3779625e-10 4.2432248e-10 2.4501406e-10 ] [ 2.4137278e-10 3.8732501e-10 4.949524900000001e-10 ] [ 3.858368e-10 1.1714229e-10 1.7876885e-10 ] [ 4.7832038e-10 3.40264e-10 4.811204400000001e-10 ] [ 4.7382583e-10 3.3427897e-10 2.3926472e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.67e-05 -4.5e-06 -1.96e-05 ] [ 8.4e-06 -1e-07 -4.5e-06 ] [ -2.7e-06 -1.76e-05 -2.6e-06 ] [ 8.9e-06 1.21e-05 1.32e-05 ] [ -5.8e-06 2.1e-06 8e-07 ] [ 2e-06 4.3e-06 4.5e-06 ] [ 5.9e-06 3.8e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.675634956736e-14 -7.2097947936e-15 -3.140266176767999e-14 ] [ 1.345828361472e-14 -1.6021766208e-16 -7.2097947936e-15 ] [ -4.32587687616e-15 -2.819830852608e-14 -4.16565921408e-15 ] [ 1.425937192512e-14 1.938633711168e-14 2.114873139456e-14 ] [ -9.292624400640001e-15 3.36457090368e-15 1.28174129664e-15 ] [ 3.2043532416e-15 6.889359469440001e-15 7.2097947936e-15 ] [ 9.45284206272e-15 6.08827115904e-15 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.457688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797029956682071e-18 } }