{ "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" [ [ 0.049795 0.7119441 0.3423404 ] [ 0.1447331 1.623908 1.772641 ] [ 2.54973 0.1092944 1.824085 ] [ 1.77811 2.382187 0.8238028 ] [ 2.019176 2.140924 2.983896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.9795e-12 7.119441e-11 3.423404e-11 ] [ 1.447331e-11 1.623908e-10 1.772641e-10 ] [ 2.54973e-10 1.092944e-11 1.824085e-10 ] [ 1.77811e-10 2.382187e-10 8.238028e-11 ] [ 2.019176e-10 2.140924e-10 2.983896e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.443946 -10.5776271 -16.5740199 ] [ -6.3092461 7.5644008 19.8258505 ] [ 0.135989 1.2052667 0.2101028 ] [ 6.599951 2.6980324 -6.0254562 ] [ 1.017252 -0.8900728 2.5635229 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.313456522897677e-09 -1.694722684316051e-08 -2.655450719645395e-08 ] [ -1.010852659629358e-08 1.211950611212082e-08 3.176451415857599e-08 ] [ 2.178783964859712e-10 1.931050128568767e-09 3.366217941246182e-10 ] [ 1.057428719062558e-08 4.322724433440914e-09 -9.65384505329441e-09 ] [ 1.629817371862042e-09 -1.426053830969994e-09 4.107216457265416e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.6561606007650518 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.653461794835849e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.423245 0.4272154 0.4692544 ] [ -0.1647604 2.0887709 2.0297905 ] [ 2.5391884 0.2256493 1.4811546 ] [ 1.7926851 2.3394115 0.7248795 ] [ 1.951186 1.8872105 3.0416862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.23245e-11 4.272154000000001e-11 4.692544e-11 ] [ -1.647604e-11 2.0887709e-10 2.0297905e-10 ] [ 2.5391884e-10 2.256493e-11 1.4811546e-10 ] [ 1.7926851e-10 2.3394115e-10 7.248795e-11 ] [ 1.951186e-10 1.8872105e-10 3.0416862e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 2.5e-06 6e-06 ] [ -1.1e-06 2.6e-06 -1.5e-06 ] [ 2.7e-06 6.7e-06 0.0 ] [ 9e-07 -4.3e-06 -1e-06 ] [ -2.7e-06 -7.5e-06 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 4.005441552e-15 9.6130597248e-15 ] [ -1.76239428288e-15 4.16565921408e-15 -2.4032649312e-15 ] [ 4.32587687616e-15 1.073458335936e-14 0.0 ] [ 1.44195895872e-15 -6.889359469440001e-15 -1.6021766208e-15 ] [ -4.32587687616e-15 -1.2016324656e-14 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }