{ "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" [ [ -2.695417486267689e-08 -3.051899207828308e-08 -5.009688446652047e-08 ] [ -2.107050289138e-08 -1.417638345861805e-08 2.075349157626452e-08 ] [ -2.335895618522288e-08 6.403768851918739e-08 6.581712757270821e-08 ] [ 4.399214816870584e-08 -6.16734694138463e-08 9.241216396850822e-09 ] [ 2.739148561035625e-08 4.233115643156002e-08 -4.571495107930307e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.146804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.548309188657773e-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" [ [ 2.67563497878e-14 1.40991543792e-14 2.61154791342e-14 ] [ 4.806529901999999e-14 5.4474005556e-15 -1.32980660622e-14 ] [ 5.1269652288e-15 -1.89056842812e-14 -1.63422016668e-14 ] [ -8.026904936339999e-14 -1.0414148121e-14 4.486094575199999e-15 ] [ 3.204353268e-16 9.773277467399999e-15 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260879992939e-18 } }