{ "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" [ [ 1.036246 0.517989 0.7873767 ] [ 1.003677 0.2248323 2.613371 ] [ 0.7358478 1.683575 1.603856 ] [ 2.917767 0.7228741 0.0191295 ] [ 2.564023 2.34008 0.1827334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.036246e-10 5.17989e-11 7.873767e-11 ] [ 1.003677e-10 2.248323e-11 2.613371e-10 ] [ 7.358478000000001e-11 1.683575e-10 1.603856e-10 ] [ 2.917767e-10 7.228741e-11 1.91295e-12 ] [ 2.564023e-10 2.34008e-10 1.827334e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0879364 -30.8946719 -27.155444 ] [ 1.7713957 -11.18176 16.7812439 ] [ -12.9498206 38.8581391 16.0302981 ] [ 10.4307243 -15.7227176 -5.2412514 ] [ 0.8356369 18.9410104 -0.4148465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.408896441973171e-10 -4.949872102546671e-08 -4.350781750424363e-08 ] [ 2.838088776725651e-09 -1.791515445139661e-08 2.688651664452261e-08 ] [ -2.074789980887423e-08 6.225760199381436e-08 2.568336884027466e-08 ] [ 1.671186261147044e-08 -2.519057055416068e-08 -8.39741045681527e-09 ] [ 1.338837904657787e-09 3.034684403720966e-08 -6.646573635207072e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 12.292604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.969492273755257e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0058057 -0.1712453 0.5589569 ] [ 0.9763653 0.2331625 2.905823 ] [ 0.6865831 2.1474929 1.5188902 ] [ 2.9365505 0.6078035 -0.3158478 ] [ 2.6522562 2.6721368 0.5386443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0058057e-10 -1.712453e-11 5.589569e-11 ] [ 9.763653e-11 2.331625e-11 2.905823e-10 ] [ 6.865831e-11 2.1474929e-10 1.5188902e-10 ] [ 2.9365505e-10 6.078035e-11 -3.158478e-11 ] [ 2.6522562e-10 2.6721368e-10 5.386443e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 -6.6e-06 -2.82e-05 ] [ 1.03e-05 3.71e-05 -1.5e-05 ] [ 2.7e-06 -2.76e-05 1.94e-05 ] [ -1.38e-05 -6.5e-06 1.95e-05 ] [ 5e-07 3.5e-06 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 -1.057436569728e-14 -4.518138070656001e-14 ] [ 1.650241919424e-14 5.944075263168e-14 -2.4032649312e-14 ] [ 4.32587687616e-15 -4.422007473408001e-14 3.108222644352e-14 ] [ -2.211003736704e-14 -1.04141480352e-14 3.12424441056e-14 ] [ 8.010883104e-16 5.6076181728e-15 6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.4764858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.358082737530319e-18 } }