{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.488897 2.770028 3.014921 ] [ 0.2049674 2.791914 3.698619 ] [ 0.8141582 3.850123 1.870554 ] [ 0.3012674 5.24423 3.479153 ] [ 2.657762 5.04937 3.20133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.488897e-10 2.770028e-10 3.014921e-10 ] [ 2.049674e-11 2.791914e-10 3.698619e-10 ] [ 8.141582e-11 3.850123e-10 1.870554e-10 ] [ 3.012674e-11 5.244230000000001e-10 3.479153e-10 ] [ 2.657762e-10 5.04937e-10 3.20133e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.4564098 -12.4228635 1.7061397 ] [ -11.6677006 -14.0049899 11.0872979 ] [ -9.6463275 -1.7103595 -24.7945478 ] [ -9.335976 16.4415306 7.0734012 ] [ 15.1935943 11.6966823 4.927709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4763898423064e-08 -1.990362146308966e-08 2.733537139158726e-09 ] [ -1.869371711981413e-08 -2.243846739232013e-08 1.776380948322494e-08 ] [ -1.545512039708011e-08 -2.740298004063178e-09 -3.972524480846807e-08 ] [ -1.49578824795499e-08 2.63422359374878e-08 1.133283803217867e-08 ] [ 2.434282157338014e-08 1.874015092198517e-08 7.895060153905747e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.5675581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.212456466436567e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9206873 2.6489904 4.1013922 ] [ 0.4886551 2.5380773 3.9738701 ] [ -0.2343371 4.7766938 0.8499499 ] [ 0.430023 4.8153533 3.1055096 ] [ 2.8620238 4.9265502 3.2338553 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9206873e-10 2.648990400000001e-10 4.1013922e-10 ] [ 4.886551e-11 2.5380773e-10 3.9738701e-10 ] [ -2.343371e-11 4.776693800000001e-10 8.499499000000001e-11 ] [ 4.30023e-11 4.815353300000001e-10 3.1055096e-10 ] [ 2.8620238e-10 4.926550200000001e-10 3.2338553e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.09e-05 3.4e-06 -7.5e-06 ] [ 5.9e-06 8.3e-06 -2.6e-06 ] [ -1.03e-05 -5.9e-06 -6.5e-06 ] [ 1.18e-05 -4.9e-06 3.2e-06 ] [ 3.5e-06 -8e-07 1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.746372516672e-14 5.44740051072e-15 -1.2016324656e-14 ] [ 9.45284206272e-15 1.329806595264e-14 -4.16565921408e-15 ] [ -1.650241919424e-14 -9.45284206272e-15 -1.04141480352e-14 ] [ 1.890568412544e-14 -7.850665441919999e-15 5.126965186560001e-15 ] [ 5.6076181728e-15 -1.28174129664e-15 2.146916671872e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }