{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2220022 0.090279 -2.4127489 ] [ -1.7773096 -0.8259188 3.3552684 ] [ -1.8527168 1.9889611 -1.5508018 ] [ 0.1449889 -2.7036212 -1.5752615 ] [ 3.1438124 1.2162644 -2.3879107 ] [ 0.6572496 -0.4552468 1.5318279 ] [ 0.9059778 0.6892822 3.0396266 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.957863371536595e-09 1.44642904340886e-10 -3.865649911289202e-09 ] [ -2.847563912503886e-09 -1.323267802941319e-09 5.375732631278565e-09 ] [ -2.968379566379251e-09 3.186667000354937e-09 -2.484658407925141e-09 ] [ 2.322978277693626e-10 -4.331678713827041e-09 -2.523847167739791e-09 ] [ 5.036942768959461e-09 1.94867040244603e-09 -3.825854727618584e-09 ] [ 1.053029951825846e-09 -7.293857856632711e-10 2.454258868689288e-09 ] [ 1.451536462082725e-09 1.104351835072114e-09 4.870018714604864e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.22833806491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.600066405626181e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.206387 1.8109214 1.1225861 ] [ 1.9758364 1.7269847 3.7455261 ] [ 2.5174012 4.1285798 2.8079705 ] [ 3.1501267 -0.0282314 2.2938436 ] [ 4.3541357 2.8808862 1.7198393 ] [ 4.5718065 1.4442118 3.6554602 ] [ 3.6103915 3.4024638 4.7886462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.206387e-10 1.8109214e-10 1.1225861e-10 ] [ 1.9758364e-10 1.7269847e-10 3.7455261e-10 ] [ 2.5174012e-10 4.1285798e-10 2.8079705e-10 ] [ 3.1501267e-10 -2.82314e-12 2.2938436e-10 ] [ 4.3541357e-10 2.8808862e-10 1.7198393e-10 ] [ 4.5718065e-10 1.4442118e-10 3.6554602e-10 ] [ 3.6103915e-10 3.4024638e-10 4.788646199999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 -2.68e-05 -3.47e-05 ] [ -5.2e-06 -4.78e-05 1.72e-05 ] [ -2.51e-05 7.31e-05 -2.7e-06 ] [ -1.57e-05 0.0 5.07e-05 ] [ 4.9e-05 4.55e-05 -9.2e-06 ] [ -1.3e-05 -1.68e-05 -1.4e-05 ] [ 1.58e-05 -2.72e-05 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.2926244772e-15 -4.293833379119999e-14 -5.55955291998e-14 ] [ -8.331318496799998e-15 -7.65840431052e-14 2.75574381048e-14 ] [ -4.02146335134e-14 1.171191119454e-13 -4.3258769118e-15 ] [ -2.515417315379999e-14 0.0 8.123035534379999e-14 ] [ 7.850665506599998e-14 7.289903684699999e-14 -1.47400250328e-14 ] [ -2.082829624199999e-14 -2.691656745119999e-14 -2.243047287599999e-14 ] [ 2.53143908172e-14 -4.35792044448e-14 -1.15356717648e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }