{ "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" [ [ 2.167127 3.726278 2.425808 ] [ 5.703742 2.419847 2.282123 ] [ 3.651151 2.438119 0.811047 ] [ 3.941822 0.8653656 2.619853 ] [ 4.06698 3.157982 3.365965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.167127e-10 3.726278000000001e-10 2.425808e-10 ] [ 5.703742000000001e-10 2.419847e-10 2.282123e-10 ] [ 3.651151e-10 2.438119e-10 8.11047e-11 ] [ 3.941822e-10 8.653656e-11 2.619853e-10 ] [ 4.06698e-10 3.157982e-10 3.365965e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6105136 -0.2926349 -1.860242 ] [ 1.7516375 -1.3916108 -3.0049167 ] [ 0.4604561 0.3588057 2.83661 ] [ 0.0202741 1.1734709 -0.3804621 ] [ -1.6218542 0.1519691 2.4090107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.781506166004428e-10 -4.688527952101459e-10 -2.980436241430234e-09 ] [ 2.80643265061656e-09 -2.229606289012785e-09 -4.814407284191487e-09 ] [ 7.377319983247468e-10 5.748701039497786e-10 4.544750224327488e-09 ] [ 3.248268902776128e-11 1.880107641169135e-09 -6.095674817204717e-10 ] [ -2.598496881586287e-09 2.434813391040173e-10 3.859660622797043e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.859291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.861373850426385e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0394141 3.6915238 2.2838652 ] [ 5.7913041 2.2891229 2.1008125 ] [ 3.7172837 2.5990707 1.0783515 ] [ 3.9566167 0.9023496 2.6650629 ] [ 4.0262035 3.1255246 3.3767038 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0394141e-10 3.6915238e-10 2.2838652e-10 ] [ 5.7913041e-10 2.2891229e-10 2.1008125e-10 ] [ 3.7172837e-10 2.5990707e-10 1.0783515e-10 ] [ 3.9566167e-10 9.023496e-11 2.6650629e-10 ] [ 4.026203500000001e-10 3.1255246e-10 3.3767038e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.99e-05 -2.56e-05 3.22e-05 ] [ -7.4e-06 -2.14e-05 -2.2e-06 ] [ 4.96e-05 5.9e-06 6.8e-06 ] [ -1.92e-05 -1.5e-06 -1.19e-05 ] [ -3.2e-06 4.27e-05 -2.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.188331475392e-14 -4.101572149248001e-14 5.159008718975999e-14 ] [ -1.185610699392e-14 -3.428657968511999e-14 -3.52478856576e-15 ] [ 7.946796039168e-14 9.45284206272e-15 1.089480102144e-14 ] [ -3.076179111936e-14 -2.4032649312e-15 -1.906590178752e-14 ] [ -5.126965186560001e-15 6.841294170816001e-14 -4.005441552e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.979559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.040860570289423e-18 } }