{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1220764 7.6933399 0.3155292 ] [ -10.6944688 -6.6702286 -4.7763378 ] [ -4.8908641 -0.3852266 3.9993134 ] [ 4.6129032 -10.8909839 -0.9784007 ] [ 11.0365868 3.5662223 -5.9544593 ] [ 5.0579193 6.6868769 7.3943553 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.206471125642838e-09 1.23260894251999e-08 5.055335115847128e-10 ] [ -1.713442802440201e-08 -1.068688440635853e-08 -7.652536819250965e-09 ] [ -7.836028181089437e-09 -6.172010573152643e-10 6.407606481523095e-09 ] [ 7.390685721943828e-09 -1.744927992585019e-08 -1.567570740229244e-09 ] [ 1.768256149007283e-08 5.713718040709738e-09 -9.540095558563996e-09 ] [ 8.103680119117634e-09 1.071355792361435e-08 1.184706328515406e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.932584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.505047464042257e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.2593556 6.1102804 1.7893462 ] [ 2.0709635 3.9616906 1.221849 ] [ 2.3380961 2.3476134 2.9431245 ] [ 4.6563979 2.7754432 3.2291798 ] [ 4.6230393 4.0196119 0.9881967 ] [ 5.1353896 5.2495205 3.245898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2593556e-10 6.1102804e-10 1.7893462e-10 ] [ 2.0709635e-10 3.9616906e-10 1.221849e-10 ] [ 2.3380961e-10 2.3476134e-10 2.9431245e-10 ] [ 4.6563979e-10 2.7754432e-10 3.2291798e-10 ] [ 4.6230393e-10 4.0196119e-10 9.881967e-11 ] [ 5.1353896e-10 5.249520500000001e-10 3.245898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.36e-05 1e-06 4e-06 ] [ -9.9e-06 -2.42e-05 6e-07 ] [ -8.4e-06 3.2e-05 1.39e-05 ] [ 1.2e-06 4.1e-06 -3.06e-05 ] [ 3.78e-05 9.7e-06 1.79e-05 ] [ -7.1e-06 -2.26e-05 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.17896022224e-14 1.602176634e-15 6.408706535999999e-15 ] [ -1.58615486766e-14 -3.877267454279999e-14 9.613059803999998e-16 ] [ -1.34582837256e-14 5.126965228799999e-14 2.22702552126e-14 ] [ 1.9226119608e-15 6.568924199399999e-15 -4.90266050004e-14 ] [ 6.056227676519999e-14 1.55411133498e-14 2.86789617486e-14 ] [ -1.13754541014e-14 -3.62091919284e-14 -9.2926244772e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.047461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250651378122627e-18 } }