{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0755506 0.3541964 0.6731301 ] [ 0.5631114 0.1579036 2.39025 ] [ 0.1113923 2.692001 2.732528 ] [ 1.634511 1.700059 1.731597 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.555059999999999e-12 3.541964e-11 6.731301e-11 ] [ 5.631114000000001e-11 1.579036e-11 2.39025e-10 ] [ 1.113923e-11 2.692001e-10 2.732528e-10 ] [ 1.634511e-10 1.700059e-10 1.731597e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5745623 0.6091935 -18.8761696 ] [ -0.0885639 -7.7592532 20.8495927 ] [ -3.2276332 1.9210603 2.9396513 ] [ 8.8907595 5.2289993 -4.9130744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.931433388253076e-09 9.76035583243325e-10 -3.024295762337569e-08 ] [ -1.418950100268691e-10 -1.243169407190759e-08 3.340472997714235e-08 ] [ -5.171238453557891e-09 3.077877899807034e-09 4.709840586164327e-09 ] [ 1.42445670120555e-08 8.377780428639565e-09 -7.871612939930988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.0770468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.532149064867453e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4068756 0.064672 0.3225444 ] [ 0.1420294 0.326638 2.6586345 ] [ 0.3134381 2.6173693 3.2236642 ] [ 1.5222222 1.8954807 1.322662 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.068756e-11 6.4672e-12 3.225444e-11 ] [ 1.420294e-11 3.26638e-11 2.6586345e-10 ] [ 3.134381e-11 2.6173693e-10 3.2236642e-10 ] [ 1.5222222e-10 1.8954807e-10 1.322662e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 -7.6e-06 -1.66e-05 ] [ -6.9e-06 -5.1e-06 8.9e-06 ] [ 4.3e-06 1.3e-05 1.24e-05 ] [ -5.1e-06 -3e-07 -4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233675998016e-14 -1.217654231808e-14 -2.659613190528e-14 ] [ -1.105501868352e-14 -8.17110076608e-15 1.425937192512e-14 ] [ 6.889359469440001e-15 2.08282960704e-14 1.986699009792e-14 ] [ -8.17110076608e-15 -4.8065298624e-16 -7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.547071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.689827057411768e-18 } }