{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2155062 0.7824176 -0.5634234 ] [ 1.2548334 0.1432589 -0.3283725 ] [ -0.4404715 0.6705578 0.7095718 ] [ -0.3645896 -1.4957029 0.7340812 ] [ 0.1270877 0.0446029 0.3242329 ] [ 0.0267286 0.625506 -1.5841749 ] [ -0.8190948 -0.7706403 0.7080849 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.45278995277449e-10 1.253571186422446e-09 -9.027037990916468e-10 ] [ 2.010464736478975e-09 2.295260603015251e-10 -5.26110742413648e-10 ] [ -7.057131394287073e-10 1.074352030055082e-09 1.136859348738973e-09 ] [ -5.841369333068236e-10 -2.39638021804276e-09 1.176127736408809e-09 ] [ 2.036169417312442e-10 7.146172359988032e-11 5.194783720741844e-10 ] [ 4.282393802671488e-11 1.002171089370125e-09 -2.538127988038178e-09 ] [ -1.312334538778852e-09 -1.234701871706298e-09 1.134477072321506e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.676831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.152575859963269e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2736468 1.5025811 4.0172462 ] [ 2.2222834 5.0880383 2.6192393 ] [ 2.7496469 3.2663813 1.1768993 ] [ 0.9597718 3.0754675 2.7997554 ] [ 4.0174688 1.6885927 2.4361493 ] [ 4.3066971 3.9915451 2.9795371 ] [ 2.5168122 3.8006309 4.6023682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2736468e-10 1.5025811e-10 4.0172462e-10 ] [ 2.2222834e-10 5.0880383e-10 2.6192393e-10 ] [ 2.7496469e-10 3.2663813e-10 1.1768993e-10 ] [ 9.597718e-11 3.0754675e-10 2.7997554e-10 ] [ 4.0174688e-10 1.6885927e-10 2.4361493e-10 ] [ 4.3066971e-10 3.9915451e-10 2.9795371e-10 ] [ 2.5168122e-10 3.8006309e-10 4.6023682e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 2.23e-05 -1.17e-05 ] [ -3.55e-05 -8.9e-06 3.31e-05 ] [ 2.3e-06 -6.1e-06 6.01e-05 ] [ 3.6e-05 1.16e-05 -7.9e-06 ] [ -1.76e-05 2.02e-05 2.51e-05 ] [ 2.67e-05 -1.41e-05 -3.44e-05 ] [ -6.1e-06 -2.51e-05 -6.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-15 3.572853864384e-14 -1.874546646336e-14 ] [ -5.68772700384e-14 -1.425937192512e-14 5.303204614848e-14 ] [ 3.68500622784e-15 -9.77327738688e-15 9.629081491008e-14 ] [ 5.76783583488e-14 1.858524880128e-14 -1.265719530432e-14 ] [ -2.819830852608e-14 3.236396774016e-14 4.021463318208e-14 ] [ 4.277811577536e-14 -2.259069035328e-14 -5.511487575552001e-14 ] [ -9.77327738688e-15 -4.021463318208e-14 -1.0301995671744e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }