{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4641287 -3.9863226 -6.3725342 ] [ 3.7843792 0.8978586 6.2819742 ] [ -5.4311779 3.2688723 -2.2692421 ] [ -1.7421387 0.9483574 0.2323708 ] [ 1.0758724 0.7071461 0.3154237 ] [ 0.3065667 -2.1358745 -0.898017 ] [ 3.4706271 0.2999627 2.7100247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.345792772982297e-09 -6.38679287268667e-09 -1.020992531048843e-08 ] [ 6.063243878481807e-09 1.438528057704219e-09 1.006483219570878e-08 ] [ -8.701706254785639e-09 5.237310775440725e-09 -3.635726639555096e-09 ] [ -2.791213895330905e-09 1.519436054442674e-09 3.722990631165926e-10 ] [ 1.723737606243986e-09 1.132972948909899e-09 5.053644777862329e-10 ] [ 4.911739994558074e-10 -3.422048188862889e-09 -1.438781842480954e-09 ] [ 5.560557599134904e-09 4.805932250520442e-10 4.341938216130534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.988998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.003678837281796e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5488273 2.2826353 1.9344339 ] [ 2.8350928 2.7447204 3.9526754 ] [ 1.7792449 4.5734959 2.7352661 ] [ 3.6629705 1.132738 2.3225094 ] [ 5.200008 2.7129199 3.3631918 ] [ 3.6556454 3.4717745 1.6368029 ] [ 4.0358001 4.8394279 3.6182955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5488273e-10 2.2826353e-10 1.9344339e-10 ] [ 2.8350928e-10 2.7447204e-10 3.9526754e-10 ] [ 1.7792449e-10 4.5734959e-10 2.7352661e-10 ] [ 3.6629705e-10 1.132738e-10 2.3225094e-10 ] [ 5.200008e-10 2.7129199e-10 3.3631918e-10 ] [ 3.6556454e-10 3.4717745e-10 1.6368029e-10 ] [ 4.035800100000001e-10 4.8394279e-10 3.6182955e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.27e-05 -2.91e-05 -5.36e-05 ] [ 2.2e-05 4.7e-06 2.26e-05 ] [ -1.59e-05 6.83e-05 4.93e-05 ] [ 3.08e-05 -9.5e-06 -2.47e-05 ] [ -2.61e-05 3.27e-05 -8.6e-06 ] [ 5.18e-05 -9.15e-05 8.2e-06 ] [ 1e-07 2.43e-05 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0045647412416e-13 -4.662333966527999e-14 -8.587666687488e-14 ] [ 3.52478856576e-14 7.53023011776e-15 3.620919163008e-14 ] [ -2.547460827072e-14 1.0942866320064e-13 7.898730740544e-14 ] [ 4.934703992064001e-14 -1.52206778976e-14 -3.957376253376001e-14 ] [ -4.181680980288e-14 5.239117550016001e-14 -1.377871893888e-14 ] [ 8.299274895744e-14 -1.465991608032e-13 1.313784829056e-14 ] [ 1.6021766208e-16 3.893289188544e-14 1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }