{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0075213 -5.6406962 6.3190515 ] [ 0.3989328 9.2176219 -5.1754186 ] [ -9.4645189 -1.1825571 -6.4925789 ] [ -0.90722 10.1110185 8.3439194 ] [ 5.3971383 -10.801108 -8.0883089 ] [ 4.1330408 1.0049052 -0.530335 ] [ 6.4501482 -2.7091843 5.6236705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.625110175818022e-09 -9.037391576675402e-09 1.012423657893117e-08 ] [ 6.391608054302822e-10 1.476825830755407e-08 -8.291934683773467e-09 ] [ -1.516383090869973e-08 -1.894665338381047e-09 -1.040225812227938e-08 ] [ -1.453526673922176e-09 1.619963745317628e-08 1.336843258851956e-08 ] [ 8.647168803484256e-09 -1.730528271633585e-08 -1.295889942138856e-08 ] [ 6.621861342572528e-09 1.610035617560348e-09 -8.496903381919681e-10 ] [ 1.03342766467352e-08 -4.340591746898414e-09 9.010113398182647e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.4018163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84813392331636e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.832098 3.5019971 3.3503349 ] [ 2.634093 5.6502058 1.4601941 ] [ 1.279615 3.6784809 1.0185534 ] [ 2.4352689 5.1924681 3.8410119 ] [ 3.2721892 2.4363688 0.6243227 ] [ 4.6156167 4.2402885 1.4051507 ] [ 4.5655182 4.1307239 3.7829852 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.32098e-11 3.5019971e-10 3.3503349e-10 ] [ 2.634093e-10 5.650205800000001e-10 1.4601941e-10 ] [ 1.279615e-10 3.6784809e-10 1.0185534e-10 ] [ 2.4352689e-10 5.1924681e-10 3.8410119e-10 ] [ 3.2721892e-10 2.4363688e-10 6.243227e-11 ] [ 4.615616700000001e-10 4.2402885e-10 1.4051507e-10 ] [ 4.5655182e-10 4.130723899999999e-10 3.782985200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-06 9e-07 -1.28e-05 ] [ -1.93e-05 -1.37e-05 1e-06 ] [ 5.6e-06 9e-06 1.72e-05 ] [ 1.57e-05 1.18e-05 2e-07 ] [ 6.8e-06 -1.3e-06 -2.25e-05 ] [ -4.9e-06 -1.22e-05 4.7e-06 ] [ -8.6e-06 5.6e-06 1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.370012455680001e-15 1.44195895872e-15 -2.050786074624e-14 ] [ -3.092200878144e-14 -2.194981970496e-14 1.6021766208e-15 ] [ 8.972189076479999e-15 1.44195895872e-14 2.755743787776e-14 ] [ 2.515417294656e-14 1.890568412544e-14 3.2043532416e-16 ] [ 1.089480102144e-14 -2.08282960704e-15 -3.604897396800001e-14 ] [ -7.850665441919999e-15 -1.954655477376e-14 7.53023011776e-15 ] [ -1.377871893888e-14 8.972189076479999e-15 1.954655477376e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.040115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929039076474339e-18 } }