{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9161492 -3.1126242 -6.4187184 ] [ 0.6905602 -0.0937294 -0.5173776 ] [ -2.2204637 -0.9373564 4.177842 ] [ -0.9330275 -4.0842926 -2.9743225 ] [ 2.4853226 2.8590923 3.1466501 ] [ -0.058941 0.1609134 -0.9214935 ] [ 5.9526985 5.207997 3.50742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.478716011497793e-09 -4.986973763662942e-09 -1.028392064070587e-08 ] [ 1.106399416810367e-09 -1.501710545988396e-10 -8.289303016749983e-10 ] [ -3.557575056785185e-09 -1.501810521810357e-09 6.693640832943828e-09 ] [ -1.494874859379435e-09 -6.543758170139108e-09 -4.765390011480465e-09 ] [ 3.981925797672128e-09 4.580770877509318e-09 5.041489265593762e-09 ] [ -9.443389298459399e-11 2.578116895774956e-10 -1.476395354082879e-09 ] [ 9.537274445946848e-09 8.344131103342096e-09 5.61950636962428e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.31549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.133376694826066e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7851778 3.0757606 1.4972576 ] [ 2.2958173 0.791808 2.3727198 ] [ 2.7552807 2.8379945 3.8770319 ] [ 4.5223729 0.1467076 2.7713582 ] [ 5.2125495 2.0535304 3.9631261 ] [ 3.5276862 4.5957257 1.066 ] [ 4.7019096 4.3374851 3.0876651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7851778e-10 3.0757606e-10 1.4972576e-10 ] [ 2.2958173e-10 7.91808e-11 2.3727198e-10 ] [ 2.7552807e-10 2.8379945e-10 3.8770319e-10 ] [ 4.5223729e-10 1.467076e-11 2.7713582e-10 ] [ 5.2125495e-10 2.0535304e-10 3.9631261e-10 ] [ 3.5276862e-10 4.5957257e-10 1.066e-10 ] [ 4.701909599999999e-10 4.337485100000001e-10 3.0876651e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 -9e-07 5.3e-06 ] [ -3.3e-06 -1.03e-05 5.8e-06 ] [ 1.3e-06 -6e-07 7.8e-06 ] [ 1.12e-05 2.15e-05 1.8e-06 ] [ -2.29e-05 -1.31e-05 -1.03e-05 ] [ 6.9e-06 7.2e-06 -5.3e-06 ] [ 7e-07 -3.8e-06 -5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.9334951308e-15 -1.4419589706e-15 8.4915361602e-15 ] [ -5.2871828922e-15 -1.65024193302e-14 9.2926244772e-15 ] [ 2.0828296242e-15 -9.613059803999998e-16 1.24969777452e-14 ] [ 1.79443783008e-14 3.4446797631e-14 2.8839179412e-15 ] [ -3.66898449186e-14 -2.09885139054e-14 -1.65024193302e-14 ] [ 1.10550187746e-14 1.15356717648e-14 -8.4915361602e-15 ] [ 1.1215236438e-15 -6.088271209199999e-15 -8.331318496799998e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.711567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.837705879892547e-18 } }