{ "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" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3745687 -2.9790986 -7.11143 ] [ -10.2424639 -16.9242289 21.9360415 ] [ -5.316692 -3.9536818 0.8617838 ] [ -3.7075304 9.826251 -0.4780346 ] [ 19.6412551 14.0307583 -15.2083607 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.001252189677557e-10 -4.773042167302111e-09 -1.139376698032662e-08 ] [ -1.641023633516851e-08 -2.711560409204752e-08 3.514541313375431e-08 ] [ -8.518279692574726e-09 -6.33449659823106e-09 1.380729867919729e-09 ] [ -5.940118576724672e-09 1.574338975201913e-08 -7.658958663635363e-10 ] [ 3.146875998365333e-08 2.247975310556156e-08 -2.436648015498388e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.3807171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.814329309784241e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0798507 2.070664 1.6823758 ] [ 2.5582559 1.8384128 5.1534801 ] [ 0.4187945 2.4208406 3.4693689 ] [ 1.2941165 4.721392 3.5972652 ] [ 3.4134168 3.5520076 3.132306 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0798507e-10 2.070664e-10 1.6823758e-10 ] [ 2.5582559e-10 1.8384128e-10 5.1534801e-10 ] [ 4.187945e-11 2.4208406e-10 3.4693689e-10 ] [ 1.2941165e-10 4.721392e-10 3.5972652e-10 ] [ 3.4134168e-10 3.5520076e-10 3.132306e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 8.3e-06 6.7e-06 ] [ -3.8e-06 1.58e-05 -4.9e-06 ] [ 5.7e-06 3.2e-06 -5.2e-06 ] [ 7.9e-06 -2.03e-05 6.2e-06 ] [ -1e-05 -6.9e-06 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.204353268e-16 1.32980660622e-14 1.07345834478e-14 ] [ -6.088271209199999e-15 2.53143908172e-14 -7.850665506599998e-15 ] [ 9.1324068138e-15 5.1269652288e-15 -8.331318496799998e-15 ] [ 1.26571954086e-14 -3.252418567019999e-14 9.9334951308e-15 ] [ -1.602176634e-14 -1.10550187746e-14 -4.486094575199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377506965725e-18 } }