{ "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" [ [ 2.167127 3.726278 2.425808 ] [ 5.703742 2.419847 2.282123 ] [ 3.651151 2.438119 0.811047 ] [ 3.941822 0.8653656 2.619853 ] [ 4.06698 3.157982 3.365965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.167127e-10 3.726278000000001e-10 2.425808e-10 ] [ 5.703742000000001e-10 2.419847e-10 2.282123e-10 ] [ 3.651151e-10 2.438119e-10 8.11047e-11 ] [ 3.941822e-10 8.653656e-11 2.619853e-10 ] [ 4.06698e-10 3.157982e-10 3.365965e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.1095153 7.0040948 -0.0045515 ] [ 16.7870706 0.5292275 -2.1898821 ] [ -2.6617131 0.074237 -14.9937974 ] [ -2.9720698 -15.4075021 3.6027907 ] [ 0.9562277 7.7999428 13.5854403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.94015823028799e-08 1.122179693842685e-08 -7.2923068895712e-12 ] [ 2.689585204703903e-08 8.47915927584432e-10 -3.508577902928408e-09 ] [ -4.264534500097093e-09 1.189407857983296e-10 -2.402271165129183e-08 ] [ -4.761780748945732e-09 -2.46855396495469e-08 5.772307029175667e-09 ] [ 1.532045665101356e-09 1.249688599773729e-08 2.176627483193414e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 47.44114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.600908537209972e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0800849 4.6232762 2.3217951 ] [ 8.0025668 2.3557499 1.7964725 ] [ 3.495416 2.3700016 -1.3579365 ] [ 3.4957467 -0.8597679 3.130622 ] [ 4.4570077 4.1183318 5.6138428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.00849e-12 4.6232762e-10 2.3217951e-10 ] [ 8.002566800000001e-10 2.3557499e-10 1.7964725e-10 ] [ 3.495416e-10 2.3700016e-10 -1.3579365e-10 ] [ 3.4957467e-10 -8.597679e-11 3.130622e-10 ] [ 4.4570077e-10 4.1183318e-10 5.6138428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -2.6645353e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.269056162956315e-34 } }