{ "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" [ [ 2.841627 2.849258 1.50686 ] [ 0.998489 4.149663 3.105849 ] [ 4.765797 1.647113 1.498592 ] [ 3.299037 1.906995 3.475865 ] [ 3.256514 4.175642 3.223298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.841627e-10 2.849258e-10 1.50686e-10 ] [ 9.98489e-11 4.149663e-10 3.105849e-10 ] [ 4.765797e-10 1.647113e-10 1.498592e-10 ] [ 3.299037e-10 1.906995e-10 3.475865e-10 ] [ 3.256514e-10 4.175642e-10 3.223298000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.0324184 2.659526 -45.3520899 ] [ -16.5567745 1.2697288 0.2028074 ] [ 16.6078611 -8.6657567 -6.5088967 ] [ 2.0234933 -28.3916313 32.4183966 ] [ 18.9578384 33.1281332 19.2397826 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.369764931699166e-08 4.261030414715483e-09 -7.266205874084739e-08 ] [ -2.652687723830703e-08 2.034329814876859e-09 3.249332774822916e-10 ] [ 2.660872699513754e-08 -1.388407290066894e-08 -1.042840220585971e-08 ] [ 3.241993684315552e-09 -4.548840827000304e-08 5.193999754426504e-08 ] [ 3.037380571562794e-08 5.307712094107964e-08 3.082553012495977e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.5886534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.545303357004656e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.1818775 3.444046 1.4573913 ] [ 0.8134204 4.0447843 2.3588261 ] [ 3.8869352 0.9382546 1.3738059 ] [ 4.5300724 2.2509169 3.5248214 ] [ 2.7491585 4.0506692 4.0956193 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1818775e-10 3.444046e-10 1.4573913e-10 ] [ 8.134204e-11 4.0447843e-10 2.3588261e-10 ] [ 3.8869352e-10 9.382546e-11 1.3738059e-10 ] [ 4.5300724e-10 2.2509169e-10 3.5248214e-10 ] [ 2.7491585e-10 4.0506692e-10 4.0956193e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.2e-06 -8.05e-05 5.45e-05 ] [ -1.84e-05 3.65e-05 1e-06 ] [ 4.62e-05 4.67e-05 6.2e-06 ] [ -3.22e-05 -1.6e-05 -4.63e-05 ] [ 1.27e-05 1.33e-05 -1.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.31378483988e-14 -1.28975219037e-13 8.7318626553e-14 ] [ -2.94800500656e-14 5.847944714099999e-14 1.602176634e-15 ] [ 7.40205604908e-14 7.482164880779999e-14 9.9334951308e-15 ] [ -5.159008761479998e-14 -2.5634826144e-14 -7.41807781542e-14 ] [ 2.03476432518e-14 2.13089492322e-14 -2.46735201636e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.367078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.622294993845545e-18 } }