{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0890821 2.2142342 -0.782309 ] [ -3.2911452 0.621979 2.4757651 ] [ 2.6105088 1.4163674 -2.7241728 ] [ 0.9209151 -5.8925194 -0.6834386 ] [ 4.2992399 -0.7564661 2.0297616 ] [ -2.7173834 1.364759 -1.3272035 ] [ 1.266947 1.0316458 1.0115972 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.949255161127651e-09 3.547594297443683e-09 -1.253397200367906e-09 ] [ -5.272995938541256e-09 9.965202206386857e-10 3.966612994492673e-09 ] [ 4.182496202211378e-09 2.269270753439332e-09 -4.364606007138354e-09 ] [ 1.475468655117773e-09 -9.440856898071699e-09 -1.094989355693672e-09 ] [ 6.888141711740495e-09 -1.211992309833107e-09 3.252036608110454e-09 ] [ -4.353728189099475e-09 2.186584980841206e-09 -2.126414436263019e-09 ] [ 2.029872879916398e-09 1.652878795324237e-09 1.620757396859825e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.51445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.28677724493613e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.325633 2.1085722 1.821934 ] [ 2.420203 2.1688018 4.2958104 ] [ 2.9702496 4.3789281 0.8897084 ] [ 1.8163282 4.3079934 3.0704676 ] [ 4.5791421 2.4421235 2.9115647 ] [ 5.1953754 3.7014422 1.0055734 ] [ 3.9020218 4.2769518 4.4796424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.325633e-10 2.1085722e-10 1.821934e-10 ] [ 2.420203e-10 2.1688018e-10 4.2958104e-10 ] [ 2.9702496e-10 4.378928100000001e-10 8.897084e-11 ] [ 1.8163282e-10 4.3079934e-10 3.0704676e-10 ] [ 4.579142100000001e-10 2.4421235e-10 2.9115647e-10 ] [ 5.195375399999999e-10 3.7014422e-10 1.0055734e-10 ] [ 3.9020218e-10 4.2769518e-10 4.4796424e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.62e-05 -8.4e-06 8.43e-05 ] [ 5.65e-05 8.17e-05 -8.8e-05 ] [ 1.32e-05 -7.14e-05 8.96e-05 ] [ 0.0001638 -9.46e-05 -1.58e-05 ] [ -0.0002001 6.93e-05 -3.37e-05 ] [ 4.22e-05 6.5e-05 1.88e-05 ] [ -4.94e-05 -4.16e-05 -5.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.197702781079999e-14 -1.34582837256e-14 1.350634902462e-13 ] [ 9.052297982099998e-14 1.308978309978e-13 -1.40991543792e-13 ] [ 2.11487315688e-14 -1.143954116676e-13 1.435550264064e-13 ] [ 2.624365326491999e-13 -1.515659095764e-13 -2.53143908172e-14 ] [ -3.205955444634e-13 1.110308407362e-13 -5.399335256579999e-14 ] [ 6.761185395480001e-14 1.0414148121e-13 3.012092071919999e-14 ] [ -7.91475257196e-14 -6.665054797439999e-14 -8.86003678602e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.03949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.851550917127666e-18 } }