{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5178768 0.1602588 0.5935764 ] [ 0.4933098 1.000634 2.761993 ] [ 1.438085 2.624316 0.8145388 ] [ 2.471365 1.192312 0.8679319 ] [ 2.522268 2.85035 2.866422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.178768e-11 1.602588e-11 5.935764e-11 ] [ 4.933098e-11 1.000634e-10 2.761993e-10 ] [ 1.438085e-10 2.624316e-10 8.145388e-11 ] [ 2.471365e-10 1.192312e-10 8.679319e-11 ] [ 2.522268e-10 2.85035e-10 2.866422e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1771341 -2.805215 -0.8009983 ] [ -0.9151704 0.0857917 2.2698959 ] [ -5.6877975 10.9659149 -1.6106345 ] [ 8.9511076 -8.530572 -1.5646172 ] [ -0.1710056 0.2840804 1.706354 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.488153355366449e-09 -4.494449889317472e-09 -1.283340749560545e-09 ] [ -1.466264618928184e-09 1.374534559986873e-10 3.636774142629775e-09 ] [ -9.112856178344689e-09 1.756933247846237e-08 -2.580520940553898e-09 ] [ 1.43412553269852e-08 -1.36674830204511e-08 -2.506793098341558e-09 ] [ -2.739811743458765e-10 4.551469753075123e-10 2.733880485608563e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7766623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.653056662516756e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6544319 0.6345631 0.6505585 ] [ 0.5752095 0.9911436 2.9747013 ] [ 0.9270354 2.9712268 0.6777088 ] [ 2.9634797 0.734358 1.0902818 ] [ 2.3227482 2.4965793 2.5112117 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.544319e-11 6.345631000000001e-11 6.505585e-11 ] [ 5.752095e-11 9.911436e-11 2.9747013e-10 ] [ 9.270354e-11 2.971226800000001e-10 6.777088e-11 ] [ 2.9634797e-10 7.34358e-11 1.0902818e-10 ] [ 2.3227482e-10 2.4965793e-10 2.5112117e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.22e-05 9.8e-06 1.48e-05 ] [ -2e-06 -2.13e-05 4.9e-06 ] [ 1.78e-05 -6.8e-06 -2.16e-05 ] [ 3e-06 -2.5e-06 -1.88e-05 ] [ -6.6e-06 2.09e-05 2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954655477376e-14 1.570133088384e-14 2.371221398784e-14 ] [ -3.2043532416e-15 -3.412636202304e-14 7.850665441919999e-15 ] [ 2.851874385024e-14 -1.089480102144e-14 -3.460701500928e-14 ] [ 4.8065298624e-15 -4.005441552e-15 -3.012092047104e-14 ] [ -1.057436569728e-14 3.348549137472e-14 3.316505605055999e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }