{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1615275 -278.2733115 -54.50297 ] [ -554.536437 -14.5396469 -411.1163539 ] [ -43.2392469 233.2303528 204.2328081 ] [ 0.8231229 -8.8528 -15.4238043 ] [ -0.4136165 -1164.86031 363.7748739 ] [ 595.20465 1233.2957156 -86.9645538 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.463148825716272e-09 -4.458429938778958e-07 -8.732338429816377e-08 ] [ -8.884653147431321e-07 -2.329508233786719e-08 -6.586810106471189e-07 ] [ -6.927691048417888e-08 3.736762185170958e-07 3.272170303381529e-07 ] [ 1.318788266425096e-09 -1.418374918861824e-08 -2.471165865325451e-08 ] [ -6.626866862771233e-10 -1.86631195517984e-06 5.82831598197048e-07 ] [ 9.536229748214468e-07 1.975957562067126e-06 -1.393325749366638e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 441.14113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.067860049592935e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7247478 -0.0527395 3.543605 ] [ 1.5656042 3.1549063 0.4654656 ] [ 0.5678631 2.4399482 2.7986458 ] [ 2.6117876 0.8917038 -0.0785741 ] [ 2.8712032 0.8960481 2.4565059 ] [ 3.0627416 3.4977116 2.6153508 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.247478e-11 -5.273950000000001e-12 3.543605e-10 ] [ 1.5656042e-10 3.1549063e-10 4.654656e-11 ] [ 5.678630999999999e-11 2.4399482e-10 2.7986458e-10 ] [ 2.6117876e-10 8.917038000000001e-11 -7.85741e-12 ] [ 2.8712032e-10 8.960481e-11 2.4565059e-10 ] [ 3.0627416e-10 3.4977116e-10 2.6153508e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.74e-05 -3.3e-06 1.08e-05 ] [ 4.8e-06 2.67e-05 -3.4e-06 ] [ -1.33e-05 6.4e-06 -2.17e-05 ] [ -4.6e-06 1.3e-06 1.51e-05 ] [ -9.7e-06 -6e-06 3.3e-06 ] [ -4.6e-06 -2.51e-05 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.389963940992e-14 -5.28718284864e-15 1.730350750464e-14 ] [ 7.69044777984e-15 4.277811577536e-14 -5.44740051072e-15 ] [ -2.130894905664e-14 1.025393037312e-14 -3.476723267136e-14 ] [ -7.370012455680001e-15 2.08282960704e-15 2.419286697408e-14 ] [ -1.554111322176e-14 -9.6130597248e-15 5.28718284864e-15 ] [ -7.370012455680001e-15 -4.021463318208e-14 -6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.252088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.244742191598423e-18 } }