{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9970376 -0.694655 0.3090164 ] [ 1.2200898 -0.2295525 -0.3851951 ] [ 2.7168695 2.4924447 1.2711889 ] [ -0.3434233 -1.4231991 -0.2445182 ] [ -0.2320127 -0.4286864 -0.3268375 ] [ -0.0491407 1.6788438 -0.4551452 ] [ -1.315345 -1.3951956 -0.1685093 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.199606979939438e-09 -1.11296000969127e-09 4.950988556027976e-10 ] [ 1.954799368941733e-09 -3.677836517762849e-10 -6.171505887512933e-10 ] [ 4.352904830527263e-09 3.993336659877139e-09 2.036669152980162e-09 ] [ -5.50224786831172e-10 -2.280216343549829e-09 -3.917613466277387e-10 ] [ -3.717253267312518e-10 -6.868313333935776e-10 -5.23651405614975e-10 ] [ -7.873208131840379e-11 2.689804308495769e-09 -7.292230045172567e-10 ] [ -2.10741502464873e-09 -2.235349790179611e-09 -2.699816630716962e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.324022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.096049652330194e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6674999 1.696671 1.388614 ] [ 2.3867758 4.0090281 1.9730956 ] [ 4.6469113 3.1816927 1.4065528 ] [ 4.7226041 0.88868 2.3707346 ] [ 4.6135012 1.0565844 4.7442746 ] [ 5.7418175 2.8227857 3.6123715 ] [ 4.2514743 4.7024621 3.3182496 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6674999e-10 1.696671e-10 1.388614e-10 ] [ 2.3867758e-10 4.0090281e-10 1.9730956e-10 ] [ 4.6469113e-10 3.1816927e-10 1.4065528e-10 ] [ 4.7226041e-10 8.886800000000001e-11 2.3707346e-10 ] [ 4.6135012e-10 1.0565844e-10 4.7442746e-10 ] [ 5.7418175e-10 2.8227857e-10 3.6123715e-10 ] [ 4.2514743e-10 4.7024621e-10 3.3182496e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 -1.85e-05 1.32e-05 ] [ -3.43e-05 -2.57e-05 -2.3e-05 ] [ 1.65e-05 7.3e-06 -1.83e-05 ] [ -2.7e-05 3.91e-05 1.17e-05 ] [ -1.28e-05 -1.29e-05 -8.8e-06 ] [ 4.99e-05 -4.43e-05 1.7e-06 ] [ -1.1e-06 5.5e-05 2.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.42593720426e-14 -2.9640267729e-14 2.11487315688e-14 ] [ -5.49546585462e-14 -4.11759394938e-14 -3.6850062582e-14 ] [ 2.6435914461e-14 1.16958894282e-14 -2.93198324022e-14 ] [ -4.325876911799999e-14 6.26451063894e-14 1.87454666178e-14 ] [ -2.05078609152e-14 -2.06680785786e-14 -1.40991543792e-14 ] [ 7.994861403659999e-14 -7.09764248862e-14 2.7237002778e-15 ] [ -1.7623942974e-15 8.811971486999999e-14 3.733071557219999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.977986 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.521261563157912e-18 } }