{ "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" [ [ 0.8760834 0.5811476 0.1887226 ] [ 0.0667642 0.1957144 2.535937 ] [ 2.950388 1.045755 1.267551 ] [ 1.713434 2.554048 0.6359242 ] [ 2.757437 2.623078 2.535254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.760833999999999e-11 5.811476e-11 1.887226e-11 ] [ 6.67642e-12 1.957144e-11 2.535937e-10 ] [ 2.950388e-10 1.045755e-10 1.267551e-10 ] [ 1.713434e-10 2.554048e-10 6.359242000000001e-11 ] [ 2.757437e-10 2.623078e-10 2.535254e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1136493 -1.9759193 0.7559185 ] [ 0.2775611 0.0838724 -1.0536598 ] [ 4.3975441 -9.3910729 -1.920129 ] [ -4.2357179 6.4400352 -3.8709038 ] [ 0.674262 4.8430846 6.088774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.784262872230286e-09 -3.165771707047501e-09 1.211114947930205e-09 ] [ 4.447019052635309e-10 1.343783984103859e-10 -1.688149097836804e-09 ] [ 7.045642345956978e-09 -1.504615744460846e-08 -3.076385792720083e-09 ] [ -6.786368191684072e-09 1.031807383456905e-08 -6.201871569725878e-09 ] [ 1.08028681269385e-09 7.75947691867652e-09 9.7552913521349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.5454793992349494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.078307582182265e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6676363 0.7250155 0.2418721 ] [ 0.848174 0.4491086 2.5727673 ] [ 2.8023474 0.6903002 1.2611863 ] [ 1.9327015 2.705616 0.3783349 ] [ 2.1132474 2.4297027 2.7092283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.676363e-11 7.250155000000001e-11 2.418721e-11 ] [ 8.48174e-11 4.491086e-11 2.5727673e-10 ] [ 2.8023474e-10 6.903002e-11 1.2611863e-10 ] [ 1.9327015e-10 2.705616e-10 3.783349e-11 ] [ 2.1132474e-10 2.4297027e-10 2.7092283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 6.4e-06 4.6e-06 ] [ 4.3e-06 -7.8e-06 -4.9e-06 ] [ -1.8e-06 3.4e-06 7.5e-06 ] [ 3.6e-06 -3.3e-06 -2.8e-06 ] [ -1.4e-06 1.3e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.53023011776e-15 1.025393037312e-14 7.370012455680001e-15 ] [ 6.889359469440001e-15 -1.249697764224e-14 -7.850665441919999e-15 ] [ -2.88391791744e-15 5.44740051072e-15 1.2016324656e-14 ] [ 5.76783583488e-15 -5.28718284864e-15 -4.48609453824e-15 ] [ -2.24304726912e-15 2.08282960704e-15 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }