{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5710849 -1.3991167 -1.6332605 ] [ 0.11357 -9.1973407 3.7808353 ] [ -11.7892539 2.6374358 -4.6812295 ] [ -2.298439 -0.8921684 -7.4106233 ] [ 2.0977942 1.4879125 7.3805341 ] [ 5.1962035 0.4379755 -6.8103328 ] [ 6.1090403 6.925302 9.3740766 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.149788828102266e-10 -2.241632084979188e-09 -2.616771810335156e-09 ] [ 1.8195920032338e-10 -1.47357643644772e-08 6.057565974662379e-09 ] [ -1.888846713087337e-08 4.225638012435097e-09 -7.500156523291501e-09 ] [ -3.682505260474326e-09 -1.429411364073166e-09 -1.187312749463597e-08 ] [ 3.361036850180722e-09 2.383898640936525e-09 1.182491928146022e-08 ] [ 8.325235833209018e-09 7.01714112364467e-10 -1.09113560819238e-08 ] [ 9.787761624824348e-09 1.109555704779347e-08 1.501892649384616e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0484776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.44972593839924e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2206976 1.5330351 2.6350092 ] [ 1.5879391 3.1154691 3.2587512 ] [ 1.8054435 4.7472843 1.4891417 ] [ 4.9839384 2.9319571 1.9883278 ] [ 7.2180639 2.4064072 1.9706101 ] [ 4.0382966 5.0595446 2.3600642 ] [ 2.9217059 4.7214226 4.4767958 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2206976e-10 1.5330351e-10 2.6350092e-10 ] [ 1.5879391e-10 3.1154691e-10 3.2587512e-10 ] [ 1.8054435e-10 4.7472843e-10 1.4891417e-10 ] [ 4.9839384e-10 2.9319571e-10 1.9883278e-10 ] [ 7.2180639e-10 2.4064072e-10 1.9706101e-10 ] [ 4.0382966e-10 5.0595446e-10 2.3600642e-10 ] [ 2.9217059e-10 4.7214226e-10 4.4767958e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 1.35e-05 -2.1e-06 ] [ 1.76e-05 2e-06 -1.7e-06 ] [ -1.3e-06 2.3e-06 4.7e-06 ] [ -5.73e-05 3.1e-06 7.6e-06 ] [ 2.97e-05 -1.07e-05 1.5e-06 ] [ -3.5e-06 -5.1e-06 9.2e-06 ] [ -1.1e-06 -5.1e-06 -1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.5634826144e-14 2.162938455899999e-14 -3.364570931399999e-15 ] [ 2.81983087584e-14 3.204353268e-15 -2.7237002778e-15 ] [ -2.0828296242e-15 3.685006258199999e-15 7.530230179799999e-15 ] [ -9.180472112819998e-14 4.9667475654e-15 1.21765424184e-14 ] [ 4.75846460298e-14 -1.71432899838e-14 2.403264951e-15 ] [ -5.607618218999999e-15 -8.1711008334e-15 1.47400250328e-14 ] [ -1.7623942974e-15 -8.1711008334e-15 -3.06015737094e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.490038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.802213021137209e-18 } }