{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.617948 3.024291 1.012928 ] [ 1.30973 1.622672 3.703727 ] [ 2.879916 3.04735 3.836046 ] [ 0.9226834 3.798669 3.025472 ] [ 3.183378 1.61886 2.358361 ] [ 3.567629 4.016165 2.010815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.617948e-10 3.024291e-10 1.012928e-10 ] [ 1.30973e-10 1.622672e-10 3.703727e-10 ] [ 2.879916000000001e-10 3.04735e-10 3.836046e-10 ] [ 9.226834e-11 3.798669e-10 3.025472e-10 ] [ 3.183378e-10 1.61886e-10 2.358361e-10 ] [ 3.567629e-10 4.016165e-10 2.010815e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8986506 2.7443789 3.8856975 ] [ -7.5903433 -9.8076221 4.6850011 ] [ 8.2145099 5.2794969 9.0741399 ] [ -6.0238101 6.52571 -7.0243597 ] [ 4.9025449 -7.7344603 -6.9071683 ] [ -0.401552 2.9924965 -3.7133104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.439796981587892e-09 4.396979712196821e-09 6.225573690001008e-09 ] [ -1.216107057910592e-08 -1.57135428342614e-08 7.506199230842283e-09 ] [ 1.316109571311015e-08 8.458686502766076e-09 1.453837480164845e-08 ] [ -9.65120771035891e-09 1.045533999612077e-08 -1.12542648874297e-08 ] [ 7.854742821202274e-09 -1.239197146716575e-08 -1.106650356619088e-08 ] [ -6.433572264354817e-10 4.794507930125827e-09 -5.949379108653496e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4134308 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.673272266078642e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2349601 4.8459494 1.4597352 ] [ 1.1416886 2.157579 3.6828948 ] [ 3.2398781 2.0376633 2.9899794 ] [ -0.1269246 3.7374056 2.8032716 ] [ 4.8174617 0.5399579 3.3461806 ] [ 3.1742205 3.8094518 1.6652874 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2349601e-10 4.845949400000001e-10 1.4597352e-10 ] [ 1.1416886e-10 2.157579e-10 3.6828948e-10 ] [ 3.2398781e-10 2.0376633e-10 2.9899794e-10 ] [ -1.269246e-11 3.737405600000001e-10 2.8032716e-10 ] [ 4.8174617e-10 5.399579e-11 3.3461806e-10 ] [ 3.1742205e-10 3.8094518e-10 1.6652874e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0095327 -0.0002801 0.018923 ] [ -0.23794 0.0317596 0.0313074 ] [ 0.3759297 -0.3323108 0.0678927 ] [ 0.0392902 -0.0055963 0.0202043 ] [ -0.1474361 0.1604527 -0.0125741 ] [ -0.0203111 0.145975 -0.1257532 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.527306907310016e-11 -4.487696714860799e-13 3.03179881953984e-11 ] [ -3.81221905153152e-10 5.088448860595968e-11 5.015998433803392e-11 ] [ 6.023057764043577e-10 -5.324205945993447e-10 1.087760966629882e-10 ] [ 6.294983986655616e-11 -8.966261022983041e-12 3.237085709962944e-11 ] [ -2.362186724819309e-10 2.570735646842362e-10 -2.014592904760128e-11 ] [ -3.254196956273088e-11 2.3387773222128e-10 -2.014788370307866e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.749057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.202841768344659e-18 } }