{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.9078084 -15.4252847 -30.113578 ] [ -29.0577257 -31.1119231 19.3061666 ] [ -7.1506068 37.5032579 2.9095088 ] [ 3.2432536 -34.2061963 5.4050094 ] [ 6.4047577 9.1294169 -14.4301659 ] [ 21.6525128 34.1107294 16.9230591 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.863175877845855e-09 -2.471403051552394e-08 -4.824727064023722e-08 ] [ -4.655560877015931e-08 -4.984679581894746e-08 3.093188876378983e-08 ] [ -1.14565350394935e-08 6.00868430112129e-08 4.661546977371862e-09 ] [ 5.196265093245435e-09 -5.480436799835547e-08 8.659779695884236e-09 ] [ 1.026155304882878e-08 1.462693831871641e-08 -2.311967443924539e-08 ] [ 3.469114978973275e-08 5.465141316311521e-08 2.711372964243669e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.610575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.860219181904496e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1662348 0.1472422 0.8500829 ] [ -0.2955171 -0.1464595 2.8020947 ] [ 0.3784403 2.1279405 2.2828042 ] [ 2.0763869 -0.4481367 3.0630607 ] [ 2.2855046 2.2996188 0.7442963 ] [ 2.6976387 1.8371908 3.0683702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1662348e-10 1.472422e-11 8.500829e-11 ] [ -2.955171e-11 -1.464595e-11 2.8020947e-10 ] [ 3.784403e-11 2.1279405e-10 2.2828042e-10 ] [ 2.0763869e-10 -4.481367e-11 3.0630607e-10 ] [ 2.2855046e-10 2.2996188e-10 7.442963e-11 ] [ 2.6976387e-10 1.8371908e-10 3.0683702e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.66e-05 -2.73e-05 7e-07 ] [ 3.56e-05 1.27e-05 -4.9e-06 ] [ -2.45e-05 -1.42e-05 1.73e-05 ] [ -5.1e-06 2.25e-05 -5.17e-05 ] [ 4.33e-05 -2.4e-05 -1.71e-05 ] [ -2.6e-06 3.03e-05 5.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.466143052928e-14 -4.373942174784e-14 1.12152363456e-15 ] [ 5.703748770048e-14 2.034764308416e-14 -7.850665441919999e-15 ] [ -3.92533272096e-14 -2.275090801536e-14 2.771765553984e-14 ] [ -8.17110076608e-15 3.604897396800001e-14 -8.283253129536002e-14 ] [ 6.937424768064e-14 -3.84522388992e-14 -2.739722021568e-14 ] [ -4.16565921408e-15 4.854595161024e-14 8.924123777856e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.237465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.921964004565827e-18 } }