{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2341242 -2.1661906 0.0062252 ] [ -2.2546942 0.8458795 -4.0459384 ] [ -1.5675579 -0.9157029 1.9424256 ] [ 2.8719464 0.7869602 -0.1827876 ] [ 0.7505858 -0.1564611 -0.4748643 ] [ 0.0236438 -0.7313041 0.8379558 ] [ 3.4102003 2.336819 1.9169838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.181638224693943e-09 -3.470619964110441e-09 9.9738699819768e-12 ] [ -3.612418364055322e-09 1.355248370079603e-09 -6.482307967083345e-09 ] [ -2.511504639822108e-09 -1.467117790066038e-09 3.11210890960343e-09 ] [ 4.601365416180417e-09 1.260849244327967e-09 -2.928580217049384e-10 ] [ 1.202571030572197e-09 -2.506783185499374e-10 -7.608164857807661e-10 ] [ 3.78815438989692e-11 -1.171678341368399e-09 1.342553203084777e-09 ] [ 5.46374323791979e-09 3.743996799687246e-09 3.071346652116529e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.827719 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.336968472131784e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9975975 1.5660711 2.7984795 ] [ 1.7264711 3.8039339 2.1560578 ] [ 1.7569863 3.2599525 4.5246665 ] [ 4.3050122 1.833728 2.784958 ] [ 3.9945517 2.4419114 5.0052517 ] [ 4.0321243 4.08598 2.1380167 ] [ 3.7230299 4.679609 4.3624198 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9975975e-10 1.5660711e-10 2.7984795e-10 ] [ 1.7264711e-10 3.8039339e-10 2.1560578e-10 ] [ 1.7569863e-10 3.2599525e-10 4.524666500000001e-10 ] [ 4.3050122e-10 1.833728e-10 2.784958e-10 ] [ 3.9945517e-10 2.4419114e-10 5.0052517e-10 ] [ 4.032124300000001e-10 4.085980000000001e-10 2.1380167e-10 ] [ 3.7230299e-10 4.679609e-10 4.3624198e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.23e-05 1.33e-05 8.8e-06 ] [ -1.1e-06 -1.83e-05 9.3e-06 ] [ -1.88e-05 -1.8e-06 -1.94e-05 ] [ -1.25e-05 1.4e-06 6e-06 ] [ -7.7e-06 -1.07e-05 -3.5e-06 ] [ -9.7e-06 7e-06 -1.99e-05 ] [ 2.76e-05 9.1e-06 1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.572853893819999e-14 2.13089492322e-14 1.40991543792e-14 ] [ -1.7623942974e-15 -2.93198324022e-14 1.49002426962e-14 ] [ -3.012092071919999e-14 -2.8839179412e-15 -3.10822266996e-14 ] [ -2.0027207925e-14 2.2430472876e-15 9.613059803999999e-15 ] [ -1.23367600818e-14 -1.71432899838e-14 -5.607618218999999e-15 ] [ -1.55411133498e-14 1.1215236438e-14 -3.18833150166e-14 ] [ 4.42200750984e-14 1.45798073694e-14 3.012092071919999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }