{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.939068 2.794248 2.067966 ] [ 1.448231 2.940333 4.223978 ] [ 1.5948 5.060325 2.938211 ] [ 4.644526 2.195179 2.001544 ] [ 4.236112 3.084417 4.332379 ] [ 3.905251 4.388461 2.479334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.939068e-10 2.794248e-10 2.067966e-10 ] [ 1.448231e-10 2.940333e-10 4.223978e-10 ] [ 1.5948e-10 5.060325e-10 2.938211e-10 ] [ 4.644526e-10 2.195179e-10 2.001544e-10 ] [ 4.236112000000001e-10 3.084417e-10 4.332379e-10 ] [ 3.905251e-10 4.388461e-10 2.479334e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5361118 0.147728 -1.2779625 ] [ 0.5000931 0.9043026 1.0201585 ] [ 0.2073727 -1.5346706 0.1040302 ] [ -0.9284485 0.577036 0.9556723 ] [ -0.4521838 -0.8267869 -0.3612268 ] [ 0.1370547 0.7323909 -0.4406718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.589457920950055e-10 2.366863478375424e-10 -2.04752163975912e-09 ] [ 8.012374730433964e-10 1.448852483848654e-09 1.634474098210397e-09 ] [ 3.322476917321722e-10 -2.458813355949109e-09 1.666747542971482e-10 ] [ -1.487538480316829e-09 9.245135885599488e-10 1.531155816206164e-09 ] [ -7.24478312664503e-10 -1.324658641563708e-09 -5.787491337663975e-10 ] [ 2.195858361107578e-10 1.173419577266671e-09 -7.060340554058534e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7840482790819365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.267066926323552e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0055284 2.8078001 1.9058132 ] [ 1.7221869 2.9575974 4.2499675 ] [ 1.610302 4.8900384 2.9061807 ] [ 4.3372567 2.2300208 2.1481961 ] [ 4.1336022 3.0598056 4.3442423 ] [ 3.9591119 4.5177008 2.4890122 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0055284e-10 2.8078001e-10 1.9058132e-10 ] [ 1.7221869e-10 2.9575974e-10 4.2499675e-10 ] [ 1.610302e-10 4.8900384e-10 2.9061807e-10 ] [ 4.337256700000001e-10 2.2300208e-10 2.1481961e-10 ] [ 4.133602200000001e-10 3.0598056e-10 4.344242300000001e-10 ] [ 3.9591119e-10 4.5177008e-10 2.4890122e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.76e-05 1.25e-05 -1.71e-05 ] [ 4.34e-05 -3.1e-06 1.35e-05 ] [ -2.76e-05 2.67e-05 -4.02e-05 ] [ 2.96e-05 -4.09e-05 -7.5e-06 ] [ 1.2e-05 -1.94e-05 2.34e-05 ] [ -1.98e-05 2.43e-05 2.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.024184094208e-14 2.002720776e-14 -2.739722021568e-14 ] [ 6.953446534272e-14 -4.96674752448e-15 2.16293843808e-14 ] [ -4.422007473408001e-14 4.277811577536e-14 -6.440750015616e-14 ] [ 4.742442797568e-14 -6.552902379072e-14 -1.2016324656e-14 ] [ 1.92261194496e-14 -3.108222644352e-14 3.749093292672001e-14 ] [ -3.172309709184e-14 3.893289188544e-14 4.470072772032e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.6065442790819375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058485078822507e-18 } }