{ "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" [ [ 0.0409622 2.87289 0.6143003 ] [ 0.4467191 2.12103 2.019138 ] [ 1.9155 0.4332474 1.113336 ] [ 2.832667 2.287938 0.2396185 ] [ 2.613397 2.701371 2.225579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.09622e-12 2.87289e-10 6.143003e-11 ] [ 4.467191e-11 2.12103e-10 2.019138e-10 ] [ 1.9155e-10 4.332474e-11 1.113336e-10 ] [ 2.832667e-10 2.287938e-10 2.396185e-11 ] [ 2.613397e-10 2.701371e-10 2.225579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.7415445 15.5094314 -26.5691518 ] [ 2.3317707 -14.7535401 28.5597687 ] [ -0.7817536 -3.985142 1.2207704 ] [ 8.233311 0.6917718 -12.1294409 ] [ 1.9582164 2.5374789 8.9180536 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.881202808998282e-08 2.484884839098141e-08 -4.256847384844624e-08 ] [ 3.735908500606451e-09 -2.363777702225529e-08 4.575779370659561e-08 ] [ -1.252507341146235e-09 -6.384901342968154e-09 1.955889794244664e-09 ] [ 1.319121839597547e-08 1.108340604888734e-09 -1.943350663335531e-08 ] [ 3.137408534547141e-09 4.065489369353302e-09 1.428829698096128e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.000632776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.013818913403341e-22 } "relaxed-configuration-positions" { "source-value" [ [ -1.2942683 3.1292044 0.976959 ] [ 0.6722104 2.156137 1.6507162 ] [ 1.8298566 0.3837345 0.562796 ] [ 3.8995446 1.4874985 0.9667906 ] [ 2.741902 3.259902 2.05471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.2942683e-10 3.1292044e-10 9.769590000000001e-11 ] [ 6.722104000000001e-11 2.156137e-10 1.6507162e-10 ] [ 1.8298566e-10 3.837345e-11 5.62796e-11 ] [ 3.8995446e-10 1.4874985e-10 9.667906000000001e-11 ] [ 2.741902e-10 3.259902e-10 2.05471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 -3.3e-06 4.6e-06 ] [ 2.35e-05 8.1e-06 -1.21e-05 ] [ -7.4e-06 -1.23e-05 -2.2e-06 ] [ -1.17e-05 7.3e-06 4.8e-06 ] [ -4.7e-06 2e-07 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 -5.28718284864e-15 7.370012455680001e-15 ] [ 3.76511505888e-14 1.297763062848e-14 -1.938633711168e-14 ] [ -1.185610699392e-14 -1.970677243584e-14 -3.52478856576e-15 ] [ -1.874546646336e-14 1.169588933184e-14 7.69044777984e-15 ] [ -7.53023011776e-15 3.2043532416e-16 7.850665441919999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.303473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811016017444404e-18 } }