{ "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" [ [ 1.947833 2.66109 2.800328 ] [ 2.760428 0.8143556 5.686562 ] [ 2.02068 0.2574425 3.346376 ] [ 3.738236 1.129785 1.86566 ] [ 4.311233 0.7772723 4.159405 ] [ 3.473629 2.806736 4.589232 ] [ 4.175068 3.516721 2.41803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.947833e-10 2.66109e-10 2.800328e-10 ] [ 2.760428e-10 8.143556e-11 5.686562e-10 ] [ 2.02068e-10 2.574425e-11 3.346376e-10 ] [ 3.738236e-10 1.129785e-10 1.86566e-10 ] [ 4.311233e-10 7.772723e-11 4.159405e-10 ] [ 3.473629e-10 2.806736e-10 4.589232e-10 ] [ 4.175068e-10 3.516721e-10 2.41803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.084551 -0.0856359 -0.9654036 ] [ -3.1438657 -0.6942578 2.3241917 ] [ -0.3100104 -0.1020416 0.6723429 ] [ 0.0560672 0.6077787 -0.8287214 ] [ 4.365919 -2.8603444 -2.2842958 ] [ -0.1733034 3.2425555 1.77857 ] [ 0.2897443 -0.1080544 -0.6966837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.737642256265261e-09 -1.372038368811667e-10 -1.546747077556155e-09 ] [ -5.037028123475027e-09 -1.112323615968042e-09 3.723765603997407e-09 ] [ -4.966914150848564e-10 -1.634886658690253e-10 1.077212075540872e-09 ] [ 8.982955703371777e-11 9.73768823760217e-10 -1.327758052236645e-09 ] [ 6.994973350106516e-09 -4.582776925116203e-09 -3.659845325751633e-09 ] [ -2.776626557851507e-10 5.195146613746455e-09 2.849583272456256e-09 ] [ 4.642215434700615e-10 -1.731222334545715e-10 -1.116210336232441e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.979456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.361279392030228e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8514591 2.67523 2.6741293 ] [ 2.6444692 0.8081145 5.7503151 ] [ 2.052007 0.3545341 3.4445368 ] [ 3.8108417 1.2495517 1.9417711 ] [ 4.4741357 0.4694038 4.1712972 ] [ 3.5247119 2.7771717 4.563886 ] [ 4.0694824 3.6293967 2.3196575 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8514591e-10 2.67523e-10 2.6741293e-10 ] [ 2.6444692e-10 8.081145e-11 5.7503151e-10 ] [ 2.052007e-10 3.545341e-11 3.4445368e-10 ] [ 3.8108417e-10 1.2495517e-10 1.9417711e-10 ] [ 4.4741357e-10 4.694038e-11 4.1712972e-10 ] [ 3.5247119e-10 2.7771717e-10 4.563886e-10 ] [ 4.0694824e-10 3.6293967e-10 2.3196575e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.4e-06 -9.7e-06 -4.8e-06 ] [ -2.33e-05 2.7e-06 6.5e-06 ] [ -2.26e-05 -5.54e-05 1.1e-05 ] [ -1.1e-06 1.45e-05 -3.37e-05 ] [ 1.51e-05 -2.87e-05 -1.77e-05 ] [ 1.34e-05 7.27e-05 4.49e-05 ] [ 9.1e-06 3.8e-06 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.506046023552e-14 -1.554111322176e-14 -7.69044777984e-15 ] [ -3.733071526464e-14 4.32587687616e-15 1.04141480352e-14 ] [ -3.620919163008e-14 -8.876058479231999e-14 1.76239428288e-14 ] [ -1.76239428288e-15 2.32315610016e-14 -5.399335212096e-14 ] [ 2.419286697408e-14 -4.598246901696e-14 -2.835852618816e-14 ] [ 2.146916671872e-14 1.1647824033216e-13 7.193773027392e-14 ] [ 1.457980724928e-14 6.08827115904e-15 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.034706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.530349079940148e-18 } }