{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.368967 3.862197 2.346954 ] [ 2.915655 3.525719 0.4290147 ] [ 3.711297 1.607736 1.156277 ] [ 3.762397 3.78477 2.460668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.368967e-10 3.862197e-10 2.346954e-10 ] [ 2.915655e-10 3.525719e-10 4.290147e-11 ] [ 3.711297e-10 1.607736e-10 1.156277e-10 ] [ 3.762397e-10 3.78477e-10 2.460668e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4301613 -0.1430099 -0.6852252 ] [ -1.5284812 1.0807791 -0.83954 ] [ 0.497557 0.0715044 1.1195069 ] [ -0.3992371 -1.0092737 0.4052583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.291370998832935e-09 -2.291271183229459e-10 -1.097851795423004e-09 ] [ -2.448896843972329e-09 1.731599006269265e-09 -1.345091360226432e-09 ] [ 7.971741929153857e-10 1.145626779643315e-10 1.793647782004283e-09 ] [ -6.396483477759918e-10 -1.617034726128313e-09 6.492953736451527e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.3282425193879597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.33243235291588e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.47238 3.9467262 2.2640592 ] [ 2.7409362 3.5369085 0.4087732 ] [ 3.8268656 1.7002508 1.2253058 ] [ 3.7181342 3.5965364 2.4947755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.47238e-10 3.9467262e-10 2.2640592e-10 ] [ 2.7409362e-10 3.5369085e-10 4.087732e-11 ] [ 3.8268656e-10 1.7002508e-10 1.2253058e-10 ] [ 3.7181342e-10 3.5965364e-10 2.4947755e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 -6e-06 6.1e-06 ] [ 4.7e-06 -5.8e-06 -2.05e-05 ] [ -1.16e-05 6.5e-06 -1e-06 ] [ 1.27e-05 5.3e-06 1.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 -9.6130597248e-15 9.77327738688e-15 ] [ 7.53023011776e-15 -9.292624400640001e-15 -3.28446207264e-14 ] [ -1.858524880128e-14 1.04141480352e-14 -1.6021766208e-15 ] [ 2.034764308416e-14 8.491536090240001e-15 2.467351996032e-14 ] ] } "relaxed-potential-energy" { "source-value" -3.8437085193879597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.158299926933172e-19 } }