{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.2505931 -1.6180666 -8.3285834 ] [ -16.6482189 -13.9628916 22.2470215 ] [ 3.2732769 -9.0172841 -4.4722226 ] [ -16.8218583 22.7797334 -36.1168577 ] [ 42.4473934 1.8185088 26.6706423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.96276138557538e-08 -2.592428477417345e-09 -1.334386160786297e-08 ] [ -2.667338709954069e-08 -2.237101848028471e-08 3.564365772973495e-08 ] [ 5.244367722584699e-09 -1.444728176813157e-08 -7.165290492733391e-09 ] [ -2.695158808667043e-08 3.649715628153689e-08 -5.786558502370046e-08 ] [ 6.800822131938023e-08 2.913572284079063e-09 4.273107955477954e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.4505874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.353933356430706e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0982607 1.3100069 0.7336075 ] [ 1.3284922 0.7175629 2.7417868 ] [ 2.3712645 0.3730586 0.5330383 ] [ 1.926965 2.7483121 0.0376608 ] [ 3.1571985 2.1558641 2.0458372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.826070000000001e-12 1.3100069e-10 7.336075e-11 ] [ 1.3284922e-10 7.175629e-11 2.7417868e-10 ] [ 2.3712645e-10 3.730586000000001e-11 5.330383e-11 ] [ 1.926965e-10 2.7483121e-10 3.76608e-12 ] [ 3.1571985e-10 2.1558641e-10 2.0458372e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-05 -2.28e-05 1.89e-05 ] [ -1.68e-05 -4.4e-06 -1.88e-05 ] [ -2.27e-05 4.74e-05 2.71e-05 ] [ 1.99e-05 -7.3e-06 1.18e-05 ] [ -1.23e-05 -1.29e-05 -3.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.12696518656e-14 -3.652962695424e-14 3.028113813312e-14 ] [ -2.691656722944e-14 -7.04957713152e-15 -3.012092047104e-14 ] [ -3.636940929216e-14 7.594317182591999e-14 4.341898642368e-14 ] [ 3.188331475392e-14 -1.169588933184e-14 1.890568412544e-14 ] [ -1.970677243584e-14 -2.066807840832e-14 -6.248488821120001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786262543259e-18 } }