{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.6007189 14.2778703 -67.4033186 ] [ -23.2060686 -27.0908836 63.0150927 ] [ -5.7599386 4.6155388 -77.9624609 ] [ 88.4131071 -20.0498917 52.1218969 ] [ -75.0478188 28.2473662 30.2287898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.499510729518218e-08 2.287567017794257e-08 -1.079920221149776e-07 ] [ -3.718022087792109e-08 -4.34043806983338e-08 1.00961309113284e-07 ] [ -9.228439038194672e-09 7.394908418680398e-09 -1.249096331831186e-07 ] [ 1.416534143349595e-07 -3.212346799597053e-08 8.350848533293704e-08 ] [ -1.202398617140259e-07 4.525727009768137e-08 4.843186069165753e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 50.244199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.050008163184616e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5745313 0.9600932 0.77509 ] [ 0.3838313 0.4256193 3.0764455 ] [ 2.5379775 2.2861885 0.4396916 ] [ 3.6194657 2.6107343 2.52375 ] [ 1.2373432 2.5806233 2.5261319 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.745313e-11 9.600932e-11 7.7509e-11 ] [ 3.838313e-11 4.256193e-11 3.0764455e-10 ] [ 2.537977500000001e-10 2.2861885e-10 4.396916e-11 ] [ 3.619465700000001e-10 2.6107343e-10 2.52375e-10 ] [ 1.2373432e-10 2.5806233e-10 2.5261319e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.18e-05 -8.7e-06 -1.85e-05 ] [ 1.35e-05 -3.36e-05 -2.57e-05 ] [ -1.03e-05 -3.56e-05 5.04e-05 ] [ -1.39e-05 3.58e-05 1.56e-05 ] [ 7.24e-05 4.22e-05 -2.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.901451598119999e-14 -1.39389367158e-14 -2.9640267729e-14 ] [ 2.162938455899999e-14 -5.383313490239999e-14 -4.11759394938e-14 ] [ -1.65024193302e-14 -5.703748817039999e-14 8.074970235359998e-14 ] [ -2.22702552126e-14 5.735792349719999e-14 2.49939554904e-14 ] [ 1.159975883016e-13 6.761185395480001e-14 -3.50876682846e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.06157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252911889135538e-18 } }