{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.8717818e-10 2.1446704e-10 1.5826012e-10 ] [ 1.4401536e-10 2.9811162e-10 3.3640417e-10 ] [ 3.1061996e-10 1.2726084e-10 3.842288100000001e-10 ] ] "source-value" [ [ 2.8717818 2.1446704 1.5826012 ] [ 1.4401536 2.9811162 3.3640417 ] [ 3.1061996 1.2726084 3.8422881 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.02587369029824e-12 9.4800790652736e-13 -6.64727058203712e-12 ] [ -2.18905391699904e-12 1.57461918292224e-12 1.698307218048e-12 ] [ 1.16334044436288e-12 -2.5226270894496e-12 4.9491235816512e-12 ] ] "source-value" [ [ 0.0006403 0.0005917 -0.0041489 ] [ -0.0013663 0.0009828 0.00106 ] [ 0.0007261 -0.0015745 0.003089 ] ] } "species" { "source-value" [ "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.207298002457642e-18 "source-value" -7.5353615 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.355602759250405e-10 -1.808167507630284e-09 9.337119088446884e-09 ] [ 5.103791944787398e-09 -4.501077453127073e-09 -1.078305400866906e-09 ] [ -4.168231668862357e-09 6.309244960757356e-09 -8.258813687579979e-09 ] ] "source-value" [ [ -0.5839308 -1.1285694 5.8277714 ] [ 3.1855364 -2.8093516 -0.6730253 ] [ -2.6016056 3.937921 -5.1547461 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.048363491589708e-18 "source-value" -6.5433703 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.841313e-10 2.212826e-10 1.445747e-10 ] [ 1.428683e-10 2.999437e-10 3.337988e-10 ] [ 3.148139e-10 1.186132e-10 4.005196e-10 ] ] "source-value" [ [ 2.841313 2.212826 1.445747 ] [ 1.428683 2.999437 3.337988 ] [ 3.148139 1.186132 4.005196 ] ] } "instance-id" 1 }