{ "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" [ [ 0.3206463 -6.3521654 -13.1824559 ] [ -3.8306841 -12.0640801 8.6264051 ] [ -13.5836004 7.9134479 1.9058185 ] [ 3.8039822 13.4177195 -4.1795531 ] [ 13.289656 -2.9149218 6.8297854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.13732005406023e-10 -1.017729089533468e-08 -2.112062264770702e-08 ] [ -6.13743250669029e-09 -1.932878708767853e-08 1.382102457276989e-08 ] [ -2.176332698716953e-08 1.267874121529886e-08 3.053457844188125e-09 ] [ 6.09465134677935e-09 2.149755648735227e-08 -6.696382262212165e-09 ] [ 2.129237614167445e-08 -4.670219559420253e-09 1.094252249296118e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.648428 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.31368441178721e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.742493 1.6626932 -0.7019064 ] [ 0.4720538 -0.1962173 4.4440751 ] [ -1.3547635 4.7382504 2.8396623 ] [ 3.2309039 7.1905223 1.0474002 ] [ 5.0223693 2.8457574 3.9046138 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.742493e-10 1.6626932e-10 -7.019064000000001e-11 ] [ 4.720538000000001e-11 -1.962173e-11 4.4440751e-10 ] [ -1.3547635e-10 4.7382504e-10 2.8396623e-10 ] [ 3.2309039e-10 7.1905223e-10 1.0474002e-10 ] [ 5.022369300000001e-10 2.8457574e-10 3.9046138e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -1.7763568e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846037335159101e-34 } }