{ "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" [ [ 0.2934362 2.840867 1.110891 ] [ 0.7634727 2.370483 2.358735 ] [ 2.954483 0.5132865 0.5514058 ] [ 1.977096 2.170821 0.0967804 ] [ 2.774594 2.595093 2.624283 ] [ 2.05175 1.547661 1.964386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.934362e-11 2.840867e-10 1.110891e-10 ] [ 7.634727e-11 2.370483e-10 2.358735e-10 ] [ 2.954483e-10 5.132865e-11 5.514058e-11 ] [ 1.977096e-10 2.170821e-10 9.67804e-12 ] [ 2.774594e-10 2.595093e-10 2.624283e-10 ] [ 2.05175e-10 1.547661e-10 1.964386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -46.3657907 31.6541372 -62.1723662 ] [ -32.7210643 -0.226426 77.2117648 ] [ 11.7630488 -20.238136 -12.2145732 ] [ 5.5596762 8.9654827 -43.3025205 ] [ 55.3433829 50.7531629 47.2184498 ] [ 6.4207471 -70.9082207 -6.7407547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.428618586444606e-08 5.071551857343558e-08 -9.961111158545613e-08 ] [ -5.242492422915352e-08 -3.627744435412608e-10 1.237068844132684e-07 ] [ 1.884648177668949e-08 -3.242506834777083e-08 -1.956990361409024e-08 ] [ 8.907583226858184e-09 1.436428677612686e-08 -6.937828596681273e-08 ] [ 8.86698741983625e-08 8.131553103003393e-08 7.565229633997844e-08 ] [ 1.02871708916894e-08 -1.136074934280666e-07 -1.079987958688772e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 62.746565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.005310794785076e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2094845 3.2414584 0.5720849 ] [ 0.5886172 2.4516036 2.7538329 ] [ 2.9688599 0.5601699 0.2747658 ] [ 1.640633 2.1016301 -0.9100033 ] [ 2.99145 3.0072809 3.4588615 ] [ 2.4157873 0.6760686 2.5569395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.094845e-11 3.2414584e-10 5.720849e-11 ] [ 5.886172e-11 2.4516036e-10 2.7538329e-10 ] [ 2.9688599e-10 5.601699e-11 2.747658e-11 ] [ 1.640633e-10 2.1016301e-10 -9.100033e-11 ] [ 2.99145e-10 3.0072809e-10 3.4588615e-10 ] [ 2.4157873e-10 6.760686000000001e-11 2.5569395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -5e-07 -1.36e-05 ] [ 1.4e-05 -1.86e-05 2.6e-06 ] [ -1.29e-05 -1.72e-05 1.67e-05 ] [ -8.3e-06 2.85e-05 -1.88e-05 ] [ -4e-06 1.53e-05 4.6e-06 ] [ 8.4e-06 -7.5e-06 8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 -8.010883104e-16 -2.178960204288e-14 ] [ 2.24304726912e-14 -2.980048514688e-14 4.16565921408e-15 ] [ -2.066807840832e-14 -2.755743787776e-14 2.675634956736e-14 ] [ -1.329806595264e-14 4.56620336928e-14 -3.012092047104e-14 ] [ -6.4087064832e-15 2.451330229824e-14 7.370012455680001e-15 ] [ 1.345828361472e-14 -1.2016324656e-14 1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.994781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.242211093141605e-18 } }