{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3452231 6.2191547 -3.0051075 ] [ -4.6221264 -3.3868725 2.201775 ] [ -10.5698056 2.8962835 0.3314767 ] [ -0.605192 -4.9983311 -2.4144197 ] [ 5.0880004 -7.3286029 -2.3792895 ] [ 1.842353 -2.1550821 -3.0388249 ] [ 6.5215477 8.7534505 8.3043899 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.757461652337045e-09 9.964184343571277e-09 -4.814713019158154e-09 ] [ -7.405462917474537e-09 -5.426367981837164e-09 3.52763245832535e-09 ] [ -1.693469555824235e-08 4.640357749139738e-09 5.310842234554278e-10 ] [ -9.696244814837278e-10 -8.008209297415516e-09 -3.86832682800929e-09 ] [ 8.151875354662653e-09 -1.174171632624464e-08 -3.812042042421543e-09 ] [ 2.951774928179801e-09 -3.452822184971651e-09 -4.868734249597386e-09 ] [ 1.044867134245644e-08 1.402457385797562e-08 1.33050994574056e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.794946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.331717658649176e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4755709 1.6261885 2.9107502 ] [ 2.0509996 3.5352023 1.3668754 ] [ 2.1596063 3.8842097 3.8009414 ] [ 3.6197812 1.4762195 1.5920913 ] [ 3.7284087 1.8252533 4.0261442 ] [ 4.3020955 3.5137057 0.4782135 ] [ 4.4797758 4.084663 4.459936 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4755709e-10 1.6261885e-10 2.9107502e-10 ] [ 2.0509996e-10 3.5352023e-10 1.3668754e-10 ] [ 2.1596063e-10 3.8842097e-10 3.8009414e-10 ] [ 3.6197812e-10 1.4762195e-10 1.5920913e-10 ] [ 3.7284087e-10 1.8252533e-10 4.0261442e-10 ] [ 4.3020955e-10 3.5137057e-10 4.782135e-11 ] [ 4.4797758e-10 4.084663e-10 4.459936e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 5.52e-05 -3.6e-06 ] [ -2.28e-05 -6.53e-05 0.0001083 ] [ -2.12e-05 -2.94e-05 -8.83e-05 ] [ -2.29e-05 3.25e-05 -4.81e-05 ] [ 1.51e-05 7.9e-06 6.42e-05 ] [ 5.03e-05 2e-05 -2.1e-05 ] [ 5.5e-06 -2.09e-05 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706535999999e-15 8.844015019679999e-14 -5.767835882399999e-15 ] [ -3.65296272552e-14 -1.046221342002e-13 1.735157294622e-13 ] [ -3.39661446408e-14 -4.710399303959999e-14 -1.414721967822e-13 ] [ -3.66898449186e-14 5.207074060499999e-14 -7.706469609539999e-14 ] [ 2.41928671734e-14 1.26571954086e-14 1.028597399028e-13 ] [ 8.05894846902e-14 3.204353268e-14 -3.364570931399999e-14 ] [ 8.811971486999999e-15 -3.34854916506e-14 -1.8425031291e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.364145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.063784046038793e-18 } }