{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4397285 -4.3538843 2.9760698 ] [ 0.6263673 4.096596 -4.1408989 ] [ -5.5493994 1.7971481 0.9932721 ] [ 6.0308026 0.4018258 3.8766428 ] [ 1.331958 -1.9416857 -3.7050858 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.908875963799453e-09 -6.975691635128174e-09 4.768189455428932e-09 ] [ 1.00355104409362e-09 6.563470336062797e-09 -6.634451406676437e-09 ] [ -8.89111797816155e-09 2.87934866993514e-09 1.59139733671292e-09 ] [ 9.662410930379853e-09 6.437959023942567e-10 6.21106646135265e-09 ] [ 2.134031967487526e-09 -3.110923433481683e-09 -5.936201846818064e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.355412 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.940861197155177e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0199953 -1.9766214 4.0988294 ] [ 1.7550886 4.646183 -1.0349143 ] [ -2.1603413 2.776602 2.3450376 ] [ 4.3806044 1.7392463 3.9914513 ] [ 2.6200546 -0.7674062 -0.5766071 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.99953e-12 -1.9766214e-10 4.0988294e-10 ] [ 1.7550886e-10 4.646183e-10 -1.0349143e-10 ] [ -2.1603413e-10 2.776602e-10 2.3450376e-10 ] [ 4.3806044e-10 1.7392463e-10 3.9914513e-10 ] [ 2.6200546e-10 -7.674062000000001e-11 -5.766071000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 -0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 4.4408921e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.115093498115416e-35 } }