{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0299584 0.6173503 0.5342358 ] [ 0.7975385 2.616511 1.362514 ] [ 1.80202 0.5667157 2.620782 ] [ 2.455492 1.646275 1.01187 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.99584e-12 6.173503e-11 5.342358000000001e-11 ] [ 7.975385000000001e-11 2.616511e-10 1.362514e-10 ] [ 1.80202e-10 5.667157e-11 2.620782e-10 ] [ 2.455492e-10 1.646275e-10 1.01187e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3548717 -5.9901297 -0.5236266 ] [ -32.0021943 26.8052059 6.4733987 ] [ -7.7185648 -16.2935854 19.2432843 ] [ 43.0756308 -4.5214908 -25.1930563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.375097003523551e-09 -9.597245760899719e-09 -8.389422965489934e-10 ] [ -5.127316752175902e-08 4.294667420871022e-08 1.037152805425711e-08 ] [ -1.236650406868983e-08 -2.610520159688822e-08 3.083114021286769e-08 ] [ 6.90147685939724e-08 -7.244226850922288e-09 -4.036372581035815e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.5539626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.489722547317582e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.3533517 0.6542819 1.2975447 ] [ 0.6648302 2.8454678 0.6222552 ] [ 1.8776433 -0.1219871 2.1425767 ] [ 2.8958871 2.0690894 1.4670252 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.533517e-11 6.542819e-11 1.2975447e-10 ] [ 6.648302000000001e-11 2.8454678e-10 6.222552e-11 ] [ 1.8776433e-10 -1.219871e-11 2.1425767e-10 ] [ 2.8958871e-10 2.0690894e-10 1.4670252e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.15e-05 -7.2e-06 2.86e-05 ] [ 1.4e-05 4.7e-06 -3.16e-05 ] [ 5.7e-06 -2.95e-05 -1.93e-05 ] [ 1.18e-05 3.2e-05 2.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.04685635552e-14 -1.153567166976e-14 4.582225135488e-14 ] [ 2.24304726912e-14 7.53023011776e-15 -5.062878121728e-14 ] [ 9.13240673856e-15 -4.72642103136e-14 -3.092200878144e-14 ] [ 1.890568412544e-14 5.12696518656e-14 3.588875630592e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.092648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.937455790916388e-18 } }