{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.1287597 -7.0919727 -1.9365259 ] [ -7.7636269 4.9634259 -5.2825013 ] [ -0.5051664 -1.1097174 7.7092574 ] [ -0.7605152 3.9757556 1.426877 ] [ 3.8446875 -1.1546738 -0.3805047 ] [ 0.8910996 0.7051085 -1.1133895 ] [ -0.8352383 -0.2879261 -0.423213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.217178885041222e-09 -1.136259285529185e-08 -3.102656522553679e-09 ] [ -1.243870151179398e-08 7.952284936053199e-09 -8.463500082205606e-09 ] [ -8.093657956937011e-10 -1.777963273974962e-09 1.235159197000939e-08 ] [ -1.218479673203036e-09 6.369862672334677e-09 2.286108970157241e-09 ] [ 6.159868426782e-09 -1.849991367010295e-09 -6.096357344445177e-10 ] [ 1.427698945924232e-09 1.129708353827357e-09 -1.783846626744202e-09 ] [ -1.338199277056737e-09 -4.613084659381229e-10 -6.780619742186305e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.357672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.460570302831478e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1096855 1.3301308 1.9493201 ] [ 1.2399817 3.2339719 2.1373542 ] [ 2.0980157 1.9999884 4.1354518 ] [ 2.7097181 5.1000954 2.917608 ] [ 5.0766684 2.6899237 2.67957 ] [ 3.5928923 3.7789789 0.9873244 ] [ 3.8287614 3.6612058 4.5252082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1096855e-10 1.3301308e-10 1.9493201e-10 ] [ 1.2399817e-10 3.2339719e-10 2.1373542e-10 ] [ 2.0980157e-10 1.9999884e-10 4.1354518e-10 ] [ 2.7097181e-10 5.1000954e-10 2.917608e-10 ] [ 5.076668400000001e-10 2.6899237e-10 2.67957e-10 ] [ 3.5928923e-10 3.7789789e-10 9.873244e-11 ] [ 3.8287614e-10 3.6612058e-10 4.5252082e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.64e-05 -5.1e-05 -1.37e-05 ] [ -4.81e-05 8.3e-06 -2.4e-05 ] [ 8.4e-06 -5.8e-06 1.12e-05 ] [ 1.16e-05 -4.2e-06 1.02e-05 ] [ 2.35e-05 1.23e-05 2.85e-05 ] [ 1e-06 2.62e-05 -4.93e-05 ] [ 2e-05 1.4e-05 3.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.627569658112e-14 -8.17110076608e-14 -2.194981970496e-14 ] [ -7.706469546047999e-14 1.329806595264e-14 -3.84522388992e-14 ] [ 1.345828361472e-14 -9.292624400640001e-15 1.794437815296e-14 ] [ 1.858524880128e-14 -6.72914180736e-15 1.634220153216e-14 ] [ 3.76511505888e-14 1.970677243584e-14 4.56620336928e-14 ] [ 1.6021766208e-15 4.197702746496e-14 -7.898730740544e-14 ] [ 3.2043532416e-14 2.24304726912e-14 5.944075263168e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }