{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.284773 1.136187 2.117179 ] [ 0.232979 2.36751 0.607179 ] [ 0.4870779 2.766051 2.845032 ] [ 1.778488 1.070505 1.035652 ] [ 2.177899 0.7799475 2.527686 ] [ 2.528264 2.860392 0.629956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.84773e-11 1.136187e-10 2.117179e-10 ] [ 2.32979e-11 2.36751e-10 6.07179e-11 ] [ 4.870779e-11 2.766051e-10 2.845032e-10 ] [ 1.778488e-10 1.070505e-10 1.035652e-10 ] [ 2.177899e-10 7.799475000000001e-11 2.527686e-10 ] [ 2.528264e-10 2.860392e-10 6.29956e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.7007211 -16.0863302 9.1843819 ] [ -5.2139294 8.6920503 -8.2812822 ] [ 0.3522133 14.526472 8.1675567 ] [ 6.4254445 -5.306798 -47.3256643 ] [ 18.4196089 -8.8857343 39.964231 ] [ 3.7173837 7.0603403 -1.709223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.797274124252126e-08 -2.577314216090899e-08 1.471500195667868e-08 ] [ -8.35363578718177e-09 1.392619977747763e-08 -1.326807673108719e-08 ] [ 5.643079147948166e-10 2.327397382110582e-08 1.30858683937984e-08 ] [ 1.029469695614795e-08 -8.502427686908199e-09 -7.58240729052892e-08 ] [ 2.951146674385961e-08 -1.423651575410065e-08 6.40297565764506e-08 ] [ 5.955905254683001e-09 1.131191216355206e-08 -2.738477130333638e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.67799665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.08627038161072e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0201546 0.7597265 2.1552347 ] [ 0.1611818 2.5202701 0.498059 ] [ 0.7554007 2.9749885 2.8014804 ] [ 1.7410981 0.6852101 0.4527486 ] [ 2.3353091 1.139926 2.7561702 ] [ 2.4763366 2.9004714 1.0989911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.01546e-12 7.597265e-11 2.1552347e-10 ] [ 1.611818e-11 2.5202701e-10 4.98059e-11 ] [ 7.554007000000001e-11 2.9749885e-10 2.8014804e-10 ] [ 1.7410981e-10 6.852101e-11 4.527486e-11 ] [ 2.3353091e-10 1.139926e-10 2.7561702e-10 ] [ 2.4763366e-10 2.9004714e-10 1.0989911e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 -2.2e-06 -2.48e-05 ] [ -1.13e-05 -6e-06 -1.02e-05 ] [ 1.9e-06 3.15e-05 1.91e-05 ] [ -1.99e-05 -3.58e-05 -2.17e-05 ] [ 1.87e-05 6.9e-06 9.7e-06 ] [ -1.2e-06 5.6e-06 2.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 -3.52478856576e-15 -3.973398019584e-14 ] [ -1.810459581504e-14 -9.6130597248e-15 -1.634220153216e-14 ] [ 3.04413557952e-15 5.04685635552e-14 3.060157345728e-14 ] [ -3.188331475392e-14 -5.735792302464001e-14 -3.476723267136e-14 ] [ 2.996070280896e-14 1.105501868352e-14 1.554111322176e-14 ] [ -1.92261194496e-15 8.972189076479999e-15 4.48609453824e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.290227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.770199746772493e-18 } }