{ "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" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8688779 -39.0522605 5.0957587 ] [ -43.1137499 11.8853555 30.4847102 ] [ 9.4979614 11.8820317 -1.2979458 ] [ 29.1049271 16.8452888 -29.7479303 ] [ -0.3580164 -1.5604155 -4.5345928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.8008023409098e-09 -6.256861876249133e-08 8.164305454378201e-09 ] [ -6.907584212479834e-08 1.904243871199669e-08 4.884188997430329e-08 ] [ 1.521741170034084e-08 1.903711339734448e-08 -2.079538415825552e-09 ] [ 4.663123374970835e-08 2.698912788598408e-08 -4.766143844384793e-08 ] [ -5.736055059429811e-10 -2.500061232833942e-09 -7.265218569008012e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 35.97374560076505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.763629416415261e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6207145 -0.4956813 1.0174703 ] [ -0.0122077 1.5258883 1.8969673 ] [ 2.7828599 3.418377 0.1808332 ] [ 1.7863391 1.3782619 0.4289594 ] [ 1.9569269 2.83047 2.2382709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.207145e-11 -4.956813e-11 1.0174703e-10 ] [ -1.22077e-12 1.5258883e-10 1.8969673e-10 ] [ 2.7828599e-10 3.418377e-10 1.808332e-11 ] [ 1.7863391e-10 1.3782619e-10 4.289594e-11 ] [ 1.9569269e-10 2.83047e-10 2.2382709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.38e-05 -3.58e-05 2.99e-05 ] [ -4.05e-05 5.67e-05 -7e-06 ] [ -2e-06 2.8e-05 -1.09e-05 ] [ 8.3e-06 -8.3e-06 -5.42e-05 ] [ 1.05e-05 -4.05e-05 4.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.813180357504e-14 -5.735792302464001e-14 4.790508096192e-14 ] [ -6.488815314240001e-14 9.084341439936e-14 -1.12152363456e-14 ] [ -3.2043532416e-15 4.48609453824e-14 -1.746372516672e-14 ] [ 1.329806595264e-14 -1.329806595264e-14 -8.683797284736e-14 ] [ 1.68228545184e-14 -6.488815314240001e-14 6.745163573568001e-14 ] ] } "relaxed-potential-energy" { "source-value" -4.99599539923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.004467026278599e-19 } }