{ "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" [ [ -31.0867717 -49.2818178 14.0144003 ] [ -52.6966011 43.0331791 -59.8684076 ] [ -44.902234 17.3600695 43.9112798 ] [ 14.9145386 -24.9394655 -31.9281765 ] [ 51.2458373 -66.1778235 31.9107548 ] [ 62.5252309 80.0058581 1.9601493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.980649883388707e-08 -7.895817630968529e-08 2.24535445151925e-08 ] [ -8.442926227804356e-08 6.894675347271918e-08 -9.591976298124502e-08 ] [ -7.194130953649087e-08 2.781389748836315e-08 7.035362588496732e-08 ] [ 2.389572505493917e-08 -3.995742855934819e-08 -5.115457793307597e-08 ] [ 8.210488243538059e-08 -1.060285616271288e-07 5.112666529264138e-08 ] [ 1.001764631581017e-07 1.281835153748623e-07 3.140505381737486e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 88.655668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.420420385710067e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1919558 0.4891633 3.5057531 ] [ 1.3821973 3.1524944 0.9211342 ] [ -0.1463326 2.1864977 2.4815273 ] [ 2.34134 1.0079418 0.0708588 ] [ 3.2782733 0.747748 2.3722655 ] [ 3.3565136 3.2437331 2.44946 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1919558e-10 4.891633000000001e-11 3.5057531e-10 ] [ 1.3821973e-10 3.1524944e-10 9.211342e-11 ] [ -1.463326e-11 2.1864977e-10 2.4815273e-10 ] [ 2.34134e-10 1.0079418e-10 7.08588e-12 ] [ 3.2782733e-10 7.47748e-11 2.3722655e-10 ] [ 3.3565136e-10 3.2437331e-10 2.44946e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.18e-05 -2.79e-05 2.86e-05 ] [ 4.26e-05 -1.7e-05 1.45e-05 ] [ 9.4e-06 7.3e-06 -4.33e-05 ] [ -2.41e-05 2.53e-05 4.51e-05 ] [ -2.39e-05 4.12e-05 -2.75e-05 ] [ -2.59e-05 -2.89e-05 -1.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.492745033344e-14 -4.470072772032e-14 4.582225135488e-14 ] [ 6.825272404608e-14 -2.72370025536e-14 2.32315610016e-14 ] [ 1.506046023552e-14 1.169588933184e-14 -6.937424768064e-14 ] [ -3.861245656128e-14 4.053506850624e-14 7.225816559807999e-14 ] [ -3.829202123712e-14 6.600967677696001e-14 -4.4059857072e-14 ] [ -4.149637447872e-14 -4.630290434112001e-14 -2.8038090864e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }