{ "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" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2887938 -3.4280508 -7.3507138 ] [ -1.7390968 -5.7142096 4.4222841 ] [ -8.5104664 5.0412189 0.1411768 ] [ 1.1366875 4.9490825 -1.2594944 ] [ 9.4016695 -0.848041 4.0467472 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.62698674591991e-10 -5.492342846674737e-09 -1.177714179655193e-08 ] [ -2.786340234268093e-09 -9.15517302747092e-09 7.085280195555569e-09 ] [ -1.363527029818394e-08 8.076923061915093e-09 2.261901683593574e-10 ] [ 1.8211741376556e-09 7.929304275910417e-09 -2.017932481708524e-09 ] [ 1.506313506938843e-08 -1.358711463679853e-09 6.483603754127862e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.72196903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.156721900807654e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.500563 2.0424086 1.3904641 ] [ 2.2621271 1.3511359 2.8061166 ] [ 0.5656711 4.4000827 1.2415704 ] [ 2.3681123 5.1658652 2.5643793 ] [ 3.4165831 3.2815136 3.5313146 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.00563e-11 2.0424086e-10 1.3904641e-10 ] [ 2.2621271e-10 1.3511359e-10 2.8061166e-10 ] [ 5.656711e-11 4.4000827e-10 1.2415704e-10 ] [ 2.3681123e-10 5.1658652e-10 2.5643793e-10 ] [ 3.4165831e-10 3.2815136e-10 3.5313146e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.9e-06 3e-06 2.17e-05 ] [ 7.4e-06 2.08e-05 -1.89e-05 ] [ 2.72e-05 -7.8e-06 -8e-07 ] [ -1.29e-05 -1.18e-05 -6e-07 ] [ -1.39e-05 -4.2e-06 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.265719530432e-14 4.8065298624e-15 3.476723267136e-14 ] [ 1.185610699392e-14 3.332527371264e-14 -3.028113813312e-14 ] [ 4.357920408576e-14 -1.249697764224e-14 -1.28174129664e-15 ] [ -2.066807840832e-14 -1.890568412544e-14 -9.6130597248e-16 ] [ -2.227025502912e-14 -6.72914180736e-15 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }