{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0568124 -5.0517371 3.9034005 ] [ -4.8503207 5.8726721 2.8138996 ] [ -6.124576 -0.6823627 -5.0601717 ] [ 0.9450002 -5.8395765 -9.2005475 ] [ 3.015092 2.8193108 10.9027225 ] [ 1.434987 -2.2674841 0.368702 ] [ 4.523005 5.1491775 -3.7280054 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.693200119851538e-09 -8.093775076047993e-09 6.25393702271903e-09 ] [ -7.77107042892229e-09 9.40905794024444e-09 4.508364152398471e-09 ] [ -9.812652479512781e-09 -1.093265564845964e-09 -8.107288794973791e-09 ] [ 1.514057227091324e-09 -9.356032943673092e-09 -1.474090210305989e-08 ] [ 4.830709911961113e-09 4.517033850528944e-09 1.746808709257013e-08 ] [ 2.29910262255193e-09 -3.632910013055729e-09 5.907257244422016e-10 ] [ 7.246652866761505e-09 8.249891806849393e-09 -5.972923094096152e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.815679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.732862803187752e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6047635 2.2894811 3.8909548 ] [ 1.6468551 5.3838985 2.8042489 ] [ 0.9822994 3.1342551 2.200266 ] [ 2.6862253 2.9795196 0.3612338 ] [ 2.8447562 4.5661071 4.9247363 ] [ 4.3692071 2.6912371 2.2807841 ] [ 3.9805308 5.0991045 2.139666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6047635e-10 2.2894811e-10 3.8909548e-10 ] [ 1.6468551e-10 5.3838985e-10 2.8042489e-10 ] [ 9.822994000000001e-11 3.1342551e-10 2.200266e-10 ] [ 2.6862253e-10 2.9795196e-10 3.612338e-11 ] [ 2.8447562e-10 4.5661071e-10 4.9247363e-10 ] [ 4.3692071e-10 2.6912371e-10 2.2807841e-10 ] [ 3.9805308e-10 5.0991045e-10 2.139666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 1.16e-05 -2.9e-06 ] [ 1.97e-05 -3.28e-05 9.8e-06 ] [ -3.8e-06 -8.6e-06 -1.22e-05 ] [ -3.4e-06 5.33e-05 -9.5e-06 ] [ 2.5e-06 3.28e-05 1.55e-05 ] [ 3.02e-05 -5.19e-05 2.47e-05 ] [ -4.03e-05 -4.4e-06 -2.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.69044777984e-15 1.858524880128e-14 -4.646312200320001e-15 ] [ 3.156287942976e-14 -5.255139316223999e-14 1.570133088384e-14 ] [ -6.08827115904e-15 -1.377871893888e-14 -1.954655477376e-14 ] [ -5.44740051072e-15 8.539601388864e-14 -1.52206778976e-14 ] [ 4.005441552e-15 5.255139316223999e-14 2.48337376224e-14 ] [ 4.838573394816e-14 -8.315296661952001e-14 3.957376253376001e-14 ] [ -6.456771781824e-14 -7.04957713152e-15 -4.08555038304e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9983780561006e-18 } }