{ "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" [ [ 1.063375 0.5708417 2.359419 ] [ 2.68579 2.886891 2.868985 ] [ 0.6763911 2.686272 1.583941 ] [ 2.607368 0.7750333 4.497523 ] [ 3.625325 0.6457468 2.38821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.063375e-10 5.708417e-11 2.359419e-10 ] [ 2.68579e-10 2.886891e-10 2.868985e-10 ] [ 6.763911e-11 2.686272e-10 1.583941e-10 ] [ 2.607368e-10 7.750333e-11 4.497523e-10 ] [ 3.625325e-10 6.457468e-11 2.38821e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4972603 -4.252797 0.3587505 ] [ 1.2211586 2.2318935 0.4482408 ] [ -0.5109309 2.3585957 -0.6896347 ] [ -1.7855431 0.3365001 3.3865599 ] [ 1.5725757 -0.6741923 -3.5039166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.966988271119942e-10 -6.813731926408378e-09 5.747816638003105e-10 ] [ 1.956511759208859e-09 3.575887585815485e-09 7.181609302486887e-10 ] [ -8.186015428243026e-10 3.778886888459411e-09 -1.104916593232422e-09 ] [ -2.860755410250756e-09 5.391325931168621e-10 5.425867096718786e-09 ] [ 2.519544020978194e-09 -1.08017514098338e-09 -5.613893257753025e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5399947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.528475647089591e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0505212 0.2824982 1.9147971 ] [ 2.9575931 3.1399015 2.5550145 ] [ 0.6589081 2.7089764 1.7885669 ] [ 2.6144043 0.7053796 4.9059108 ] [ 3.3768223 0.7280292 2.5337887 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0505212e-10 2.824982e-11 1.9147971e-10 ] [ 2.9575931e-10 3.1399015e-10 2.5550145e-10 ] [ 6.589081000000001e-11 2.7089764e-10 1.7885669e-10 ] [ 2.6144043e-10 7.053796000000001e-11 4.9059108e-10 ] [ 3.3768223e-10 7.280292e-11 2.5337887e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.3e-06 -2.2e-06 -1e-06 ] [ 2e-07 1.5e-06 6e-06 ] [ -2.7e-06 2.1e-06 -7.7e-06 ] [ 6.1e-06 -0.0 -1.1e-06 ] [ 4.8e-06 -1.5e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.329806595264e-14 -3.52478856576e-15 -1.6021766208e-15 ] [ 3.2043532416e-16 2.4032649312e-15 9.6130597248e-15 ] [ -4.32587687616e-15 3.36457090368e-15 -1.233675998016e-14 ] [ 9.77327738688e-15 0.0 -1.76239428288e-15 ] [ 7.69044777984e-15 -2.4032649312e-15 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927010881090069e-18 } }