{ "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" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6140246 0.2505176 1.8110087 ] [ -23.3259194 -27.1411371 -6.6704087 ] [ 30.2148325 -0.1669196 -24.5225679 ] [ -21.5895973 12.9455594 -13.522701 ] [ 14.0866595 14.1119797 42.904669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.837758587160718e-10 4.013734418189261e-10 2.901555799205401e-09 ] [ -3.737224272134517e-08 -4.348489532354752e-08 -1.068717287032092e-08 ] [ 4.840949823288802e-08 -2.674346806732877e-10 -3.928948497136055e-08 ] [ -3.459034804654681e-08 2.074107261385767e-08 -2.166575539226878e-08 ] [ 2.256931651607022e-08 2.26098839485442e-08 6.874085759496252e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.054131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.251720011386053e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9131445 3.0138706 2.578119 ] [ 1.788017 -0.1274022 1.6414698 ] [ 3.2679408 1.5993683 0.5029449 ] [ 1.2654995 2.907444 0.2177411 ] [ 2.8944009 1.7121982 3.0052651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.131445e-11 3.0138706e-10 2.578119e-10 ] [ 1.788017e-10 -1.274022e-11 1.6414698e-10 ] [ 3.2679408e-10 1.5993683e-10 5.029449e-11 ] [ 1.2654995e-10 2.907444e-10 2.177411e-11 ] [ 2.8944009e-10 1.7121982e-10 3.0052651e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 -1e-07 2.7e-06 ] [ -0.0 1e-06 5e-07 ] [ 3.2e-06 2.1e-06 2.8e-06 ] [ -4.9e-06 -1.1e-06 -4.9e-06 ] [ -4.4e-06 -1.9e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 -1.6021766208e-16 4.32587687616e-15 ] [ 0.0 1.6021766208e-15 8.010883104e-16 ] [ 5.126965186560001e-15 3.36457090368e-15 4.48609453824e-15 ] [ -7.850665441919999e-15 -1.76239428288e-15 -7.850665441919999e-15 ] [ -7.04957713152e-15 -3.04413557952e-15 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.013682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764586380932578e-18 } }