{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.8234727 -19.0484566 -31.2680159 ] [ -13.1511735 -8.8482026 12.9533106 ] [ -14.5795137 39.9691814 41.0798199 ] [ 27.4577392 -38.4935519 5.7679136 ] [ 17.0964206 26.4210297 -28.5330282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.695417464060705e-08 -3.051899182684346e-08 -5.009688405378267e-08 ] [ -2.107050271778451e-08 -1.417638334182178e-08 2.075349140528082e-08 ] [ -2.33589559927733e-08 6.40376879915942e-08 6.581712703045459e-08 ] [ 4.399214780626369e-08 -6.167346890573142e-08 9.241216320714364e-09 ] [ 2.739148538468351e-08 4.233115608280243e-08 -4.571495070266711e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.146804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.548309159423993e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.584304 0.1701435 0.518303 ] [ 0.0426658 0.7896101 3.0389793 ] [ 1.3542862 2.9414415 3.3647511 ] [ 2.4378616 0.9569448 2.2002531 ] [ 2.4824718 3.2842502 0.9897549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.843040000000001e-11 1.701435e-11 5.18303e-11 ] [ 4.26658e-12 7.896101e-11 3.0389793e-10 ] [ 1.3542862e-10 2.9414415e-10 3.3647511e-10 ] [ 2.437861600000001e-10 9.569448000000001e-11 2.2002531e-10 ] [ 2.4824718e-10 3.2842502e-10 9.897549e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.67e-05 8.8e-06 1.63e-05 ] [ 3e-05 3.4e-06 -8.3e-06 ] [ 3.2e-06 -1.18e-05 -1.02e-05 ] [ -5.01e-05 -6.5e-06 2.8e-06 ] [ 2e-07 6.1e-06 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.675634956736e-14 1.409915426304e-14 2.611547891904e-14 ] [ 4.8065298624e-14 5.44740051072e-15 -1.329806595264e-14 ] [ 5.126965186560001e-15 -1.890568412544e-14 -1.634220153216e-14 ] [ -8.026904870208e-14 -1.04141480352e-14 4.48609453824e-15 ] [ 3.2043532416e-16 9.77327738688e-15 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260864814935e-18 } }