{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6656847 -5.1705549 -7.9713621 ] [ -6.0708987 -3.8925519 5.35277 ] [ -1.7684444 7.3673107 7.5228903 ] [ 6.8534899 -5.0188938 1.1791681 ] [ 4.6515379 6.7146899 -6.0834664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.873074325564262e-09 -8.284142177342882e-09 -1.277152999255119e-08 ] [ -9.726651964385112e-09 -6.23655564943062e-09 8.576082950519616e-09 ] [ -2.833360272864683e-09 1.180373296170968e-08 1.20529989595031e-08 ] [ 1.098050128866893e-08 -8.04115430863807e-09 1.889235561813157e-09 ] [ 7.452585274145129e-09 1.075811917370189e-08 -9.746787639502342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 39.149279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.27240595349764e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4585298 -0.7344878 -2.0840301 ] [ -2.2917047 -1.1306123 5.0226608 ] [ 0.9538413 5.4478859 5.4834102 ] [ 4.9314675 -0.6693331 2.9935946 ] [ 3.7665151 5.2289374 -1.303594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.585298e-11 -7.344878000000001e-11 -2.0840301e-10 ] [ -2.2917047e-10 -1.1306123e-10 5.0226608e-10 ] [ 9.538413e-11 5.447885900000001e-10 5.4834102e-10 ] [ 4.9314675e-10 -6.693331e-11 2.9935946e-10 ] [ 3.7665151e-10 5.228937400000001e-10 -1.303594e-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" 1.7763568e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.846037335159101e-34 } }