{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1959995 -0.7047991 -5.0554622 ] [ -2.8027836 0.1337166 6.603094 ] [ -3.6669039 3.1682088 -2.7569382 ] [ 1.8816234 -3.5946858 -4.0348499 ] [ 2.5595053 0.4713033 -2.9313913 ] [ -0.0028704 -1.389388 2.6235144 ] [ 3.2274288 1.9156441 5.5520331 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.916202453175683e-09 -1.129212649684229e-09 -8.099743410910235e-09 ] [ -4.490554394078402e-09 2.142376120979243e-10 1.057932291890559e-08 ] [ -5.875027747703471e-09 5.076030110993179e-09 -4.417101965422018e-09 ] [ 3.014693045467635e-09 -5.759321595331597e-09 -6.464542231477237e-09 ] [ 4.10077958625916e-09 7.551111347870922e-10 -4.696606645970884e-09 ] [ -4.5988878102336e-12 -2.226044989159992e-09 4.203333470642529e-09 ] [ 5.170911011258659e-09 3.069200216079959e-09 8.895337704014585e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.781914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.208106058259747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5998408 1.709498 1.4027055 ] [ 1.8533765 1.7734977 3.89002 ] [ 2.5386621 3.761396 2.4966277 ] [ 3.4029637 0.1818215 1.8357961 ] [ 4.8520035 3.022305 2.086597 ] [ 4.3114176 1.3057015 3.7987733 ] [ 3.8278209 3.6115966 4.6233525 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5998408e-10 1.709498e-10 1.4027055e-10 ] [ 1.8533765e-10 1.7734977e-10 3.89002e-10 ] [ 2.5386621e-10 3.761396e-10 2.4966277e-10 ] [ 3.4029637e-10 1.818215e-11 1.8357961e-10 ] [ 4.8520035e-10 3.022305e-10 2.086597e-10 ] [ 4.311417600000001e-10 1.3057015e-10 3.7987733e-10 ] [ 3.8278209e-10 3.6115966e-10 4.6233525e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.23e-05 -2.65e-05 -1.2e-06 ] [ 4.6e-06 -1.3e-06 2.78e-05 ] [ -1.7e-05 -4.11e-05 -3.63e-05 ] [ -6.5e-05 3.65e-05 -1.47e-05 ] [ 1.36e-05 4e-06 2.6e-05 ] [ -3e-06 1.63e-05 -2.93e-05 ] [ 1.44e-05 1.22e-05 2.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.379383795819998e-14 -4.2457680801e-14 -1.9226119608e-15 ] [ 7.370012516399999e-15 -2.0828296242e-15 4.454051042519999e-14 ] [ -2.723700277799999e-14 -6.58494596574e-14 -5.81590118142e-14 ] [ -1.0414148121e-13 5.847944714099999e-14 -2.35519965198e-14 ] [ 2.17896022224e-14 6.408706535999999e-15 4.165659248399999e-14 ] [ -4.806529901999999e-15 2.61154791342e-14 -4.69437753762e-14 ] [ 2.30713435296e-14 1.95465549348e-14 4.438029276179999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.350032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.619563923555228e-18 } }