{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5240094 -1.1139931 -1.5349724 ] [ 0.728451 -0.1562384 0.8916392 ] [ 0.2579955 0.2899064 0.1710723 ] [ -1.9713025 1.6873161 0.5312909 ] [ 0.4608465 -0.7069909 -0.05903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.395556166763594e-10 -1.784813715257225e-09 -2.459296913114902e-09 ] [ 1.167107171213934e-09 -2.503215138135456e-10 1.428563492198453e-09 ] [ 4.133543617771469e-10 4.644812601270575e-10 2.740880417846382e-10 ] [ -3.158374804045785e-09 2.703378429592007e-09 8.512218658368305e-10 ] [ 7.38357494160681e-10 -1.13272430043063e-09 -9.457648670501998e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -13.164938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.109255605165869e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1022766 1.7243194 1.8740883 ] [ 2.0351348 2.214883 4.2682174 ] [ 2.1242808 3.9779686 2.5768565 ] [ 4.0229541 1.2986145 3.1791152 ] [ 4.0449017 3.5522456 3.8819466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1022766e-10 1.7243194e-10 1.8740883e-10 ] [ 2.0351348e-10 2.214883e-10 4.2682174e-10 ] [ 2.1242808e-10 3.9779686e-10 2.5768565e-10 ] [ 4.0229541e-10 1.2986145e-10 3.1791152e-10 ] [ 4.0449017e-10 3.5522456e-10 3.8819466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 4.3e-06 1.96e-05 ] [ -6.9e-06 -1.37e-05 -2.04e-05 ] [ -2.58e-05 -1.47e-05 -1.3e-06 ] [ -4.48e-05 1e-05 -3.3e-06 ] [ 4.91e-05 1.42e-05 5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181640559999e-14 6.8893595262e-15 3.140266202639999e-14 ] [ -1.10550187746e-14 -2.19498198858e-14 -3.26844033336e-14 ] [ -4.133615715719999e-14 -2.35519965198e-14 -2.0828296242e-15 ] [ -7.177751320319999e-14 1.602176634e-14 -5.2871828922e-15 ] [ 7.866687272939998e-14 2.27509082028e-14 8.6517538236e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971627206706e-18 } }