{ "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" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6296606 -95.6707825 17.7042572 ] [ -45.5141991 32.0682764 29.0810475 ] [ 43.236356 50.0422518 -5.8453656 ] [ -6.1284609 11.2178675 -43.1962928 ] [ 0.7766433 2.3423869 2.2563538 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.22240638379589e-08 -1.532814910151418e-07 2.836534697447007e-08 ] [ -7.29217857124564e-08 5.137904271743239e-08 4.659297441287429e-08 ] [ 6.927227875178582e-08 8.017652588614672e-08 -9.365308104348565e-09 ] [ -9.818876775466929e-09 1.797300504373215e-08 -6.920809042939138e-08 ] [ 1.244319737960961e-09 3.752917528048188e-09 3.615077306613239e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 30.301421 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.854822830321816e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8060886 0.4515951 1.3540101 ] [ -0.2161138 1.6858457 1.6933616 ] [ 2.8803832 2.4170208 0.5108816 ] [ 0.8261709 1.6542607 -0.4684058 ] [ 1.8381038 2.4485934 2.6726536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8060886e-10 4.515951e-11 1.3540101e-10 ] [ -2.161138e-11 1.6858457e-10 1.6933616e-10 ] [ 2.8803832e-10 2.4170208e-10 5.108816000000001e-11 ] [ 8.261709000000001e-11 1.6542607e-10 -4.684058e-11 ] [ 1.8381038e-10 2.4485934e-10 2.6726536e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.54e-05 5.5e-06 -3e-06 ] [ -1.7e-05 1.1e-06 1.49e-05 ] [ 7.3e-06 -1.03e-05 5e-06 ] [ 3.1e-06 7.2e-06 4.1e-06 ] [ -8.9e-06 -3.6e-06 -2.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.467351996032e-14 8.8119714144e-15 -4.8065298624e-15 ] [ -2.72370025536e-14 1.76239428288e-15 2.387243164992e-14 ] [ 1.169588933184e-14 -1.650241919424e-14 8.010883104e-15 ] [ 4.96674752448e-15 1.153567166976e-14 6.568924145279999e-15 ] [ -1.425937192512e-14 -5.76783583488e-15 -3.36457090368e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }