{ "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" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7979625 -3.3124768 -6.0955153 ] [ -4.2664317 -2.455251 2.7418446 ] [ -1.8383087 4.311579 1.0758825 ] [ 3.3306205 -2.9713324 2.3428789 ] [ 2.1819581 2.6440235 -2.7758321 ] [ 1.3901243 1.7834578 2.7107414 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.27847686177512e-09 -5.307172885902398e-09 -9.766092105388699e-09 ] [ -6.83557712398e-09 -3.933745750395821e-09 4.392919315986728e-09 ] [ -2.945295220953241e-09 6.907911072532243e-09 1.723753788227856e-09 ] [ 5.336242297857207e-09 -4.760599303905554e-09 3.753705798945622e-09 ] [ 3.495882255385189e-09 4.236192636545788e-09 -4.447373293886168e-09 ] [ 2.227224653465966e-09 2.857414391343402e-09 4.343086496114661e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.927686 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.750808302864347e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4027621 -0.1758219 0.7488295 ] [ -0.1587955 0.1303878 2.5187648 ] [ 0.3800827 2.3854425 2.6040628 ] [ 2.1020612 -0.4284496 3.0098158 ] [ 1.9416391 2.0792331 0.8341245 ] [ 2.6409386 1.8266042 3.0951116 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4027621e-10 -1.758219e-11 7.488295e-11 ] [ -1.587955e-11 1.303878e-11 2.5187648e-10 ] [ 3.800827e-11 2.3854425e-10 2.6040628e-10 ] [ 2.1020612e-10 -4.284496e-11 3.0098158e-10 ] [ 1.9416391e-10 2.0792331e-10 8.341245e-11 ] [ 2.6409386e-10 1.8266042e-10 3.0951116e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 8e-07 -7.2e-06 ] [ -2e-06 2.1e-06 3.8e-06 ] [ -1.9e-06 -1.1e-06 -2.9e-06 ] [ -1e-07 -5.8e-06 1.7e-06 ] [ -6e-07 -2.4e-06 3.9e-06 ] [ 3.6e-06 6.4e-06 7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 1.28174129664e-15 -1.153567166976e-14 ] [ -3.2043532416e-15 3.36457090368e-15 6.08827115904e-15 ] [ -3.04413557952e-15 -1.76239428288e-15 -4.646312200320001e-15 ] [ -1.6021766208e-16 -9.292624400640001e-15 2.72370025536e-15 ] [ -9.6130597248e-16 -3.84522388992e-15 6.24848882112e-15 ] [ 5.76783583488e-15 1.025393037312e-14 1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }