{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.2586945 -5.0118524 7.3751633 ] [ -8.5996542 1.2098274 5.6132454 ] [ 1.2479101 8.746904 -4.6237387 ] [ 3.981605 -0.8419738 -2.384107 ] [ -4.3026467 -9.0782001 -6.6194692 ] [ -1.1404765 -0.5168428 -0.7548315 ] [ 1.5545678 5.4921377 1.3937376 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.162971072124431e-08 -8.029872808336821e-09 1.181631431119433e-08 ] [ -1.377816501971996e-08 1.938357191452971e-09 8.993410620787984e-09 ] [ 1.999372403552603e-09 1.401408520864114e-08 -7.408046106861534e-09 ] [ 6.37923449681757e-09 -1.348990748800189e-09 -3.819760528355838e-09 ] [ -6.893600007097208e-09 -1.454488007899646e-08 -1.060555888172267e-08 ] [ -1.827244799926101e-09 -8.280734576111352e-10 -1.209373391907171e-09 ] [ 2.490692205128785e-09 8.7993746936505e-09 2.233013816647238e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.577088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.457030622336179e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4281723 1.2443078 2.5986724 ] [ 1.8848477 3.1800132 4.090799 ] [ 2.7906774 3.6395362 1.8001968 ] [ 4.7788613 2.1265648 2.0348268 ] [ 4.0498367 1.8837625 4.4243369 ] [ 4.0143314 5.4913411 2.6376151 ] [ 4.0759633 4.3504213 4.6784141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4281723e-10 1.2443078e-10 2.5986724e-10 ] [ 1.8848477e-10 3.1800132e-10 4.090799e-10 ] [ 2.7906774e-10 3.6395362e-10 1.8001968e-10 ] [ 4.7788613e-10 2.1265648e-10 2.0348268e-10 ] [ 4.0498367e-10 1.8837625e-10 4.4243369e-10 ] [ 4.0143314e-10 5.4913411e-10 2.6376151e-10 ] [ 4.0759633e-10 4.3504213e-10 4.678414100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.95e-05 -2.19e-05 5.21e-05 ] [ 8e-05 6.78e-05 2.23e-05 ] [ -6.6e-06 3.71e-05 3.5e-06 ] [ 6.56e-05 -6.36e-05 -3.79e-05 ] [ -6.7e-05 4.36e-05 -5.26e-05 ] [ -3.86e-05 -7.1e-06 4.12e-05 ] [ -6.3e-05 -5.59e-05 -2.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.726421070299999e-14 -3.50876682846e-14 8.347340263139999e-14 ] [ 1.2817413072e-13 1.086275757852e-13 3.572853893819999e-14 ] [ -1.05743657844e-14 5.94407531214e-14 5.607618218999999e-15 ] [ 1.051027871904e-13 -1.018984339224e-13 -6.072249442859999e-14 ] [ -1.07345834478e-13 6.985490124239999e-14 -8.42744909484e-14 ] [ -6.18440180724e-14 -1.13754541014e-14 6.600967732079998e-14 ] [ -1.00937127942e-13 -8.956167384059998e-14 -4.598246939579999e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.483692 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.082937587045273e-18 } }