{ "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" [ [ 0.8888047 2.050538 1.655197 ] [ 2.913325 1.361036 3.047712 ] [ 2.022581 2.448681 4.72594 ] [ 1.815806 3.470528 2.839754 ] [ 4.233041 2.418243 4.364549 ] [ 4.034854 4.068796 2.809397 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.888047000000001e-11 2.050538e-10 1.655197e-10 ] [ 2.913325e-10 1.361036e-10 3.047712e-10 ] [ 2.022581e-10 2.448681e-10 4.72594e-10 ] [ 1.815806e-10 3.470528e-10 2.839754e-10 ] [ 4.233041e-10 2.418243e-10 4.364549e-10 ] [ 4.034854000000001e-10 4.068796e-10 2.809397e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2631411 -7.2767614 -10.6259745 ] [ 2.8990971 -17.6665751 -9.8492441 ] [ -10.4225794 1.9526075 13.048019 ] [ -1.6771509 16.1988855 3.3791691 ] [ 14.054776 3.4652079 6.7509789 ] [ 3.4089983 3.3266356 -2.7029484 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.32390114847916e-08 -1.165865699021988e-08 -1.702468791711697e-08 ] [ 4.64486559504908e-09 -2.830497359482742e-08 -1.578022862957234e-08 ] [ -1.669881304311169e-08 3.128422086098736e-09 2.09052309895542e-08 ] [ -2.687091961533679e-09 2.595347563111612e-08 5.414025729749777e-09 ] [ 2.251823351778094e-08 5.551875083591464e-09 1.08162605610941e-08 ] [ 5.461817376606945e-09 5.32985778424098e-09 -4.330600733708766e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4126189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.069794838080214e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2314585 1.9130604 1.6414455 ] [ 3.16912 0.5392362 2.5844273 ] [ 1.8615443 2.9225756 5.2806663 ] [ 1.5623048 3.9657065 3.0029242 ] [ 4.031118 2.2153718 4.2042986 ] [ 4.0528663 4.2618715 2.7287871 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2314585e-10 1.9130604e-10 1.6414455e-10 ] [ 3.16912e-10 5.392362000000001e-11 2.584427300000001e-10 ] [ 1.8615443e-10 2.9225756e-10 5.2806663e-10 ] [ 1.5623048e-10 3.9657065e-10 3.0029242e-10 ] [ 4.031118e-10 2.2153718e-10 4.204298600000001e-10 ] [ 4.0528663e-10 4.2618715e-10 2.7287871e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.22e-05 -3.85e-05 0.0 ] [ 1.9e-05 -1.11e-05 -1.12e-05 ] [ -1.81e-05 -3e-06 -1.49e-05 ] [ 4.62e-05 2.48e-05 2.01e-05 ] [ -1.17e-05 1.89e-05 -7.2e-06 ] [ 6.7e-06 8.9e-06 1.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.761185339776e-14 -6.16837999008e-14 0.0 ] [ 3.04413557952e-14 -1.778416049088e-14 -1.794437815296e-14 ] [ -2.899939683648e-14 -4.8065298624e-15 -2.387243164992e-14 ] [ 7.402055988096e-14 3.973398019584e-14 3.220375007808e-14 ] [ -1.874546646336e-14 3.028113813312e-14 -1.153567166976e-14 ] [ 1.073458335936e-14 1.425937192512e-14 2.114873139456e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586596703968e-18 } }