{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.202318 1.231726 2.757655 ] [ 0.8396636 2.003193 0.0963359 ] [ 2.588342 1.167443 0.9025235 ] [ 2.880528 2.949579 2.371797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.202318e-10 1.231726e-10 2.757655e-10 ] [ 8.396636e-11 2.003193e-10 9.633590000000001e-12 ] [ 2.588342e-10 1.167443e-10 9.025235000000001e-11 ] [ 2.880528e-10 2.949579e-10 2.371797e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.006545 0.4614899 -0.5099129 ] [ -1.7583724 0.7947381 -0.1043645 ] [ 2.131215 -0.9365848 0.6895946 ] [ -0.3662977 -0.3196432 -0.0753172 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0486245983136e-11 7.3938832851533e-10 -8.169705270243283e-10 ] [ -2.817223149939986e-09 1.273310803479012e-09 -1.672103619414816e-10 ] [ 3.414582846898272e-09 -1.500574269956644e-09 1.104852345949928e-09 ] [ -5.868736111928122e-10 -5.121248620376986e-10 -1.206714569841178e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8005097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.409997089246362e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7121488 2.0296743 2.6559517 ] [ 0.7566314 1.35295 0.4521381 ] [ 3.0432775 1.6462926 0.4082051 ] [ 2.9987939 2.3230242 2.6120165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.121488e-11 2.0296743e-10 2.6559517e-10 ] [ 7.566314e-11 1.35295e-10 4.521381e-11 ] [ 3.0432775e-10 1.6462926e-10 4.082051e-11 ] [ 2.9987939e-10 2.3230242e-10 2.6120165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 1.5e-06 1.1e-06 ] [ -2.8e-06 -2.8e-06 -4.3e-06 ] [ -5e-07 7e-07 -1.2e-06 ] [ 2.5e-06 6e-07 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 2.4032649312e-15 1.76239428288e-15 ] [ -4.48609453824e-15 -4.48609453824e-15 -6.889359469440001e-15 ] [ -8.010883104e-16 1.12152363456e-15 -1.92261194496e-15 ] [ 4.005441552e-15 9.6130597248e-16 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.6673908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.548886752389701e-18 } }