{ "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" [ [ 2.537066 3.211759 2.539973 ] [ 6.041706 2.511317 2.608179 ] [ 4.688193 2.566304 0.9930699 ] [ 3.947295 1.472235 2.90393 ] [ 4.605333 4.643852 2.971434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.537066e-10 3.211759e-10 2.539973e-10 ] [ 6.041706e-10 2.511317e-10 2.608179e-10 ] [ 4.688193e-10 2.566304e-10 9.930699e-11 ] [ 3.947295e-10 1.472235e-10 2.90393e-10 ] [ 4.605333e-10 4.643852e-10 2.971434e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7586179 -5.1077423 1.2567202 ] [ 2.9098561 0.1874419 2.3273008 ] [ -1.1639385 0.9349322 -4.1928923 ] [ -5.5045355 3.9853682 0.6088713 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.021969725900393e-09 -8.18350529813122e-09 2.0134877233271e-09 ] [ 4.662103413312266e-09 3.003150299383315e-10 3.728746931329137e-09 ] [ -1.864835052749021e-09 1.49792651287311e-09 -6.717754016592339e-09 ] [ -8.819238086463638e-09 6.385263755319779e-09 9.75519361936103e-10 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3153642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.516152252277297e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5149491 2.5038586 3.8653596 ] [ 5.376221 2.3220649 1.8640214 ] [ 6.7464588 2.673715 0.1802281 ] [ 3.576631 2.2619765 3.1355428 ] [ 4.605333 4.643852 2.971434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5149491e-10 2.5038586e-10 3.8653596e-10 ] [ 5.376221e-10 2.3220649e-10 1.8640214e-10 ] [ 6.7464588e-10 2.673715e-10 1.802281e-11 ] [ 3.576631e-10 2.2619765e-10 3.1355428e-10 ] [ 4.605333e-10 4.643852e-10 2.971434e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0080777 -0.0053427 0.0175749 ] [ -0.4621872 -0.0210222 0.33964 ] [ 0.0641656 0.0074168 -0.0576759 ] [ 0.4060992 0.0189482 -0.299539 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.294190208983616e-11 -8.559949031948158e-12 2.815809389289792e-11 ] [ -7.405055262730138e-10 -3.368127735778176e-11 5.44163267488512e-10 ] [ 1.028046241796045e-10 1.188302356114944e-11 -9.240697856359873e-11 ] [ 6.506426439655834e-10 3.035836304624256e-11 -4.799143828178113e-10 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.4118097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.347720483995866e-18 } }