{ "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" [ [ 1.291216 1.822107 1.800811 ] [ 1.534743 4.043561 0.7260553 ] [ 2.21799 3.847577 3.169656 ] [ 3.72216 2.8756 1.141297 ] [ 3.290513 5.175492 1.550965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.291216e-10 1.822107e-10 1.800811e-10 ] [ 1.534743e-10 4.043561e-10 7.260553e-11 ] [ 2.21799e-10 3.847577e-10 3.169656e-10 ] [ 3.722160000000001e-10 2.8756e-10 1.141297e-10 ] [ 3.290513e-10 5.175492e-10 1.550965e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2617212 -3.3836317 0.3757859 ] [ -6.284802 1.5945099 -6.4106469 ] [ -1.6617572 2.3904019 9.185676 ] [ 7.4942506 -4.0135608 -4.1542723 ] [ 2.7140298 3.4122806 1.0034573 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.623676859262441e-09 -5.421175647801698e-09 6.020753883666605e-10 ] [ -1.006936291371647e-08 2.554686504461676e-09 -1.027098867200453e-08 ] [ -2.662428557221264e-09 3.829846070049204e-09 1.471707545469458e-08 ] [ 1.200711320066048e-08 -6.430433332898346e-09 -6.655878010333437e-09 ] [ 4.348355129539693e-09 5.467076245971499e-09 1.607715839276728e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3906949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.636845409802966e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.640872 2.1790264 1.7808845 ] [ 1.031266 4.2243354 0.3127239 ] [ 2.1104612 3.8722249 3.6843134 ] [ 4.092235 2.5620462 1.0362476 ] [ 3.1817878 4.926704 1.5746149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.640872e-10 2.1790264e-10 1.7808845e-10 ] [ 1.031266e-10 4.2243354e-10 3.127239e-11 ] [ 2.1104612e-10 3.8722249e-10 3.6843134e-10 ] [ 4.092235e-10 2.5620462e-10 1.0362476e-10 ] [ 3.1817878e-10 4.926704e-10 1.5746149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.17e-05 -4.37e-05 1.57e-05 ] [ 2.78e-05 6.9e-06 5.9e-06 ] [ 1.49e-05 2.9e-06 -3.26e-05 ] [ -1.18e-05 3e-06 2e-07 ] [ -9.2e-06 3.1e-05 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.476723295779999e-14 -7.001511890579999e-14 2.515417315379999e-14 ] [ 4.454051042519999e-14 1.10550187746e-14 9.452842140600001e-15 ] [ 2.38724318466e-14 4.6463122386e-15 -5.22309582684e-14 ] [ -1.89056842812e-14 4.806529901999999e-15 3.204353268e-16 ] [ -1.47400250328e-14 4.966747565399999e-14 1.74637253106e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }