{ "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" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2263297 -4.1167169 -2.3454428 ] [ -12.4447992 1.098683 15.8563505 ] [ -0.5435397 4.1314963 -1.3956654 ] [ 3.9529751 -6.1884696 -7.0133323 ] [ 5.0247702 -9.4022841 4.1642274 ] [ 7.1378558 8.5556357 -14.4147663 ] [ 1.0990675 5.9216554 5.1486289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.771326692920229e-09 -6.595707625972914e-09 -3.757813650543534e-09 ] [ -1.993876649306189e-08 1.760284230773022e-09 2.540467427161421e-08 ] [ -8.708466069913696e-10 6.619386835317454e-09 -2.236102492762263e-09 ] [ 6.333364340003813e-09 -9.915021393339325e-09 -1.123659713753748e-08 ] [ 8.050569405659506e-09 -1.506411989124972e-08 6.671827838942571e-09 ] [ 1.143610577962138e-08 1.370763960755623e-08 -2.309500175043063e-08 ] [ 1.760900267688795e-09 9.487537916479923e-09 8.249012920717123e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0819921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.455095553279259e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.64629 1.2564955 0.8052587 ] [ 2.8261214 4.7891737 4.3775894 ] [ 0.7964845 3.719239 1.0925083 ] [ 3.8525981 2.011799 1.6857553 ] [ 4.1338277 0.9975387 3.9358103 ] [ 3.0618003 4.3038869 1.9528225 ] [ 3.782866 2.8233563 5.6540526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.64629e-10 1.2564955e-10 8.052587e-11 ] [ 2.8261214e-10 4.7891737e-10 4.3775894e-10 ] [ 7.964845e-11 3.719239e-10 1.0925083e-10 ] [ 3.8525981e-10 2.011799e-10 1.6857553e-10 ] [ 4.133827700000001e-10 9.975387e-11 3.9358103e-10 ] [ 3.0618003e-10 4.303886900000001e-10 1.9528225e-10 ] [ 3.782866e-10 2.8233563e-10 5.6540526e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 -4.23e-05 5.2e-06 ] [ -3.03e-05 -1.32e-05 3.98e-05 ] [ 2.49e-05 7.33e-05 -1.22e-05 ] [ 2.13e-05 -1.07e-05 3.8e-05 ] [ 2.8e-06 3.41e-05 -4.67e-05 ] [ -1.98e-05 -5.71e-05 -2.07e-05 ] [ 1.75e-05 1.59e-05 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.59552614708e-14 -6.77720716182e-14 8.331318496799998e-15 ] [ -4.854595201019999e-14 -2.11487315688e-14 6.376663003319999e-14 ] [ 3.989419818659999e-14 1.174395472722e-13 -1.95465549348e-14 ] [ 3.41263623042e-14 -1.71432899838e-14 6.088271209199999e-14 ] [ 4.486094575199999e-15 5.46342232194e-14 -7.482164880779999e-14 ] [ -3.17230973532e-14 -9.148428580139999e-14 -3.316505632379999e-14 ] [ 2.8038091095e-14 2.54746084806e-14 -5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.341484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.259065036568485e-18 } }