{ "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" [ [ 3.046952 0.8888341 2.154791 ] [ 1.482397 2.148474 3.156267 ] [ 1.59563 3.780951 1.691413 ] [ 3.247494 1.676883 4.588179 ] [ 3.703607 3.217806 2.519536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.046952e-10 8.888341e-11 2.154791e-10 ] [ 1.482397e-10 2.148474e-10 3.156267e-10 ] [ 1.59563e-10 3.780951e-10 1.691413e-10 ] [ 3.247494e-10 1.676883e-10 4.588179e-10 ] [ 3.703607e-10 3.217806e-10 2.519536e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2506312 -13.7413434 -8.4886496 ] [ -14.7809137 -2.4249954 5.2896983 ] [ -7.6126289 10.7459675 -9.0306676 ] [ 5.2986307 -3.7201617 14.3773961 ] [ 12.8442808 9.140533 -2.1477771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.810261932283049e-09 -2.201605913386438e-08 -1.360031593128327e-08 ] [ -2.368163436420242e-08 -3.885270935427544e-09 8.475030947345505e-09 ] [ -1.219677604640642e-08 1.721693789637662e-08 -1.446872449893605e-08 ] [ 8.48934222979314e-09 -5.960356101335583e-09 2.30351278994011e-08 ] [ 2.057880640875032e-08 1.464474827425089e-08 -3.441118256309623e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 79.531275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.274231494274155e-17 } "relaxed-configuration-positions" { "source-value" [ [ 4.0265151 -2.749094 -0.4435255 ] [ -3.7400547 0.7573574 5.1328297 ] [ -0.8365473 7.2427726 -1.9034357 ] [ 5.2767747 0.332955 9.4359293 ] [ 8.3493922 6.1289571 1.8883882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.0265151e-10 -2.749094e-10 -4.435255000000001e-11 ] [ -3.7400547e-10 7.573574e-11 5.1328297e-10 ] [ -8.365473000000001e-11 7.242772600000001e-10 -1.9034357e-10 ] [ 5.2767747e-10 3.32955e-11 9.4359293e-10 ] [ 8.349392200000001e-10 6.1289571e-10 1.8883882e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.423018699623083e-34 } }