{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.336946 0.5258542 -0.7546556 ] [ -2.3152148 -0.5655785 1.0768904 ] [ -6.4556714 -0.331353 0.6347902 ] [ 0.7155498 -3.2895213 -0.9515742 ] [ 0.7395632 -1.8061389 1.9009775 ] [ 5.6865889 3.5263063 -2.7600127 ] [ 1.2922383 1.9404313 0.8535843 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.398470081197639e-10 8.425113121307628e-10 -1.20909156903725e-09 ] [ -3.709383055250983e-09 -9.061566573927689e-10 1.725368636258913e-09 ] [ -1.034312587386207e-08 -5.30886034205802e-10 1.017046025932187e-09 ] [ 1.146437170023373e-09 -5.270394163905304e-09 -1.524589948757243e-09 ] [ 1.184910878406269e-09 -2.893753543338462e-09 3.045701732259735e-09 ] [ 9.110919862743763e-09 5.649765558186993e-09 -4.422027857483251e-09 ] [ 2.070394009819882e-09 3.108913688742244e-09 1.367592820609246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.55507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.331979306023438e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4120877 1.1836511 1.454975 ] [ 1.1494562 1.8516476 3.90078 ] [ 1.360828 3.6769035 1.9824193 ] [ 3.8290739 1.1923306 1.7295449 ] [ 3.6091943 1.2321258 4.1518035 ] [ 3.8860166 3.622539 1.6394649 ] [ 3.0384952 3.7139231 4.0416493 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4120877e-10 1.1836511e-10 1.454975e-10 ] [ 1.1494562e-10 1.8516476e-10 3.90078e-10 ] [ 1.360828e-10 3.6769035e-10 1.9824193e-10 ] [ 3.8290739e-10 1.1923306e-10 1.7295449e-10 ] [ 3.6091943e-10 1.2321258e-10 4.1518035e-10 ] [ 3.8860166e-10 3.622539e-10 1.6394649e-10 ] [ 3.0384952e-10 3.713923100000001e-10 4.0416493e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.18e-05 -1.51e-05 4.5e-06 ] [ -8.9e-06 4.6e-06 3.8e-06 ] [ 1.3e-06 2.94e-05 -2.7e-06 ] [ -2.78e-05 -2.2e-06 -6.7e-06 ] [ 2.03e-05 -1e-07 -4e-06 ] [ 4.3e-06 -1.1e-05 -1.13e-05 ] [ -2.08e-05 -5.5e-06 1.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.09492169612e-14 -2.41928671734e-14 7.209794853e-15 ] [ -1.42593720426e-14 7.370012516399999e-15 6.088271209199999e-15 ] [ 2.0828296242e-15 4.710399303959999e-14 -4.3258769118e-15 ] [ -4.454051042519999e-14 -3.5247885948e-15 -1.07345834478e-14 ] [ 3.252418567019999e-14 -1.602176634e-16 -6.408706535999999e-15 ] [ 6.8893595262e-15 -1.7623942974e-14 -1.81045959642e-14 ] [ -3.332527398719999e-14 -8.811971486999999e-15 2.61154791342e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.473824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.799615251942842e-18 } }