{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0737213 -1.3794615 -0.694948 ] [ -3.9029133 1.3851038 -0.7378038 ] [ -1.2990774 1.1020085 0.0482972 ] [ 1.710861 0.0237354 -0.4972912 ] [ 2.4174083 -1.1313862 1.8817458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.720291164114983e-09 -2.210140964593699e-09 -1.113429438271718e-09 ] [ -6.253156442269377e-09 2.219180925741239e-09 -1.182091999097399e-09 ] [ -2.08135143888965e-09 1.765612254622877e-09 7.738064469010176e-11 ] [ 2.741101495638509e-09 3.802830296533632e-11 -7.96748334369577e-10 ] [ 3.873115061187872e-09 -1.812680518735753e-09 3.014889127048593e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9574183992349496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.340483237977997e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.1838432 2.0149049 1.5587881 ] [ 2.7661555 3.9240772 2.8668381 ] [ 5.3783971 2.2324257 2.3754988 ] [ 5.021818 4.5672162 2.5430822 ] [ 4.4889163 3.2244709 4.3328278 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1838432e-10 2.0149049e-10 1.5587881e-10 ] [ 2.7661555e-10 3.9240772e-10 2.8668381e-10 ] [ 5.3783971e-10 2.2324257e-10 2.3754988e-10 ] [ 5.021818e-10 4.5672162e-10 2.5430822e-10 ] [ 4.4889163e-10 3.2244709e-10 4.3328278e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 -1.68e-05 1.15e-05 ] [ -7.9e-06 4.7e-06 1.07e-05 ] [ 7.8e-06 1.46e-05 -6.3e-06 ] [ 2.65e-05 3.5e-06 3.9e-06 ] [ -2.14e-05 -6e-06 -1.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.17110076608e-15 -2.691656722944e-14 1.84250311392e-14 ] [ -1.265719530432e-14 7.53023011776e-15 1.714328984256e-14 ] [ 1.249697764224e-14 2.339177866368e-14 -1.009371271104e-14 ] [ 4.24576804512e-14 5.6076181728e-15 6.24848882112e-15 ] [ -3.428657968511999e-14 -9.6130597248e-15 -3.172309709184e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.092110399234951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.158460232186793e-19 } }