{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.1400889 -112.300311 68.9810657 ] [ 33.120222 148.0009042 -135.0320918 ] [ -115.3514144 47.2236354 47.4455238 ] [ 257.7907412 52.406473 234.2273137 ] [ -161.4194599 -135.3307017 -215.6218114 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.265491985161359e-08 -1.799249327927691e-07 1.105198507424088e-07 ] [ 5.306444536410582e-08 2.371235885665005e-07 -2.163452605396794e-07 ] [ -1.848133393278925e-07 7.566060458706326e-08 7.601610899396997e-08 ] [ 4.130262986093434e-07 8.396442581918644e-08 3.752735259629275e-07 ] [ -2.586224847939431e-07 -2.168236863401988e-07 -3.45464225159627e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 196.80841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.153218332788209e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0798152 -0.4767799 2.5587573 ] [ 1.1075406 2.757133 0.0209752 ] [ -0.2897817 2.0503852 2.0919825 ] [ 3.7042394 1.3938185 2.8726653 ] [ 1.9735974 0.693447 1.2794166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.981520000000001e-12 -4.767799e-11 2.5587573e-10 ] [ 1.1075406e-10 2.757133e-10 2.09752e-12 ] [ -2.897817e-11 2.0503852e-10 2.0919825e-10 ] [ 3.7042394e-10 1.3938185e-10 2.8726653e-10 ] [ 1.9735974e-10 6.93447e-11 1.2794166e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.75e-05 -1.34e-05 4.9e-06 ] [ -2.25e-05 3.4e-06 -3.6e-06 ] [ 1.44e-05 1.65e-05 -2.31e-05 ] [ 1.96e-05 -1.08e-05 2.74e-05 ] [ -2.91e-05 4.3e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.8038090864e-14 -2.146916671872e-14 7.850665441919999e-15 ] [ -3.604897396800001e-14 5.44740051072e-15 -5.76783583488e-15 ] [ 2.307134333952e-14 2.64359142432e-14 -3.701027994048e-14 ] [ 3.140266176767999e-14 -1.730350750464e-14 4.389963940992e-14 ] [ -4.662333966527999e-14 6.889359469440001e-15 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.168718 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.430296534710814e-18 } }