{ "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" [ [ 0.635409 0.2945373 0.4894103 ] [ 0.6913641 0.4672635 2.355287 ] [ 2.952385 0.4157679 2.192681 ] [ 2.385934 1.774442 0.4759126 ] [ 2.093707 2.943435 1.550224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.35409e-11 2.945373e-11 4.894103e-11 ] [ 6.913641e-11 4.672635e-11 2.355287e-10 ] [ 2.952385e-10 4.157679e-11 2.192681e-10 ] [ 2.385934000000001e-10 1.774442e-10 4.759126e-11 ] [ 2.093707e-10 2.943435e-10 1.550224e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0867644 -4.6980689 -11.7039791 ] [ -7.5969572 -4.4064059 12.6798099 ] [ 9.6186501 -5.8606419 7.0199848 ] [ 8.3639163 -6.3505314 -19.3606844 ] [ -2.2988448 21.3156481 11.3648688 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.295642485959774e-08 -7.527136154487574e-09 -1.875184168435183e-08 ] [ -1.217166721505823e-08 -7.059840514735183e-09 2.031529497796839e-08 ] [ 1.541077631387558e-08 -9.389783435060891e-09 1.124725552493136e-08 ] [ 1.340047115418804e-08 -1.017467293873629e-08 -3.101923590836728e-08 ] [ -3.683155393407651e-09 3.415143304301994e-08 1.820852708981935e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.276456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.453814443879884e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4972089 0.3545606 0.1859155 ] [ 0.7468659 0.8073529 2.6901862 ] [ 3.1630175 0.1185876 2.2142282 ] [ 2.7566543 1.5508231 0.1352182 ] [ 1.5950525 3.0641215 1.8379668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.972089e-11 3.545606e-11 1.859155e-11 ] [ 7.468659e-11 8.073529e-11 2.6901862e-10 ] [ 3.1630175e-10 1.185876e-11 2.2142282e-10 ] [ 2.7566543e-10 1.5508231e-10 1.352182e-11 ] [ 1.5950525e-10 3.0641215e-10 1.8379668e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.7e-06 2.8e-06 1.34e-05 ] [ 2.08e-05 3e-07 -2.62e-05 ] [ -1.68e-05 7.6e-06 -6.4e-06 ] [ -2.23e-05 3.4e-06 3.23e-05 ] [ 9.5e-06 -1.42e-05 -1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.393893660096e-14 4.48609453824e-15 2.146916671872e-14 ] [ 3.332527371264e-14 4.8065298624e-16 -4.197702746496e-14 ] [ -2.691656722944e-14 1.217654231808e-14 -1.025393037312e-14 ] [ -3.572853864384e-14 5.44740051072e-15 5.175030485184e-14 ] [ 1.52206778976e-14 -2.275090801536e-14 -2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.4498528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.033380336376142e-18 } }