{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3933944 -3.7157809 1.9638481 ] [ 2.2840728 -2.0556538 -3.5916606 ] [ 4.9302877 -11.6858976 6.2571895 ] [ 4.5805242 6.8174893 1.0811169 ] [ -4.8090675 2.8854413 -13.0579396 ] [ 2.4017929 -0.1487418 6.5433379 ] [ -1.9942158 7.9031436 0.8041076 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.184552375362645e-08 -5.95333733504349e-09 3.146431538545295e-09 ] [ 3.659488070514955e-09 -3.293520485953309e-09 -5.75447469057842e-09 ] [ 7.8991917518376e-09 -1.872287208203668e-08 1.002512281141014e-08 ] [ 7.338808844711542e-09 1.092282205900502e-08 1.732140235802515e-09 ] [ -7.704975579828794e-09 4.622986629638584e-09 -2.09211257153033e-08 ] [ 3.848096464087098e-09 -2.383106364591012e-10 1.048358309174663e-08 ] [ -3.195085957913617e-09 1.266223201106664e-08 1.288322407941818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.825049 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535452373970507e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4065607 2.2496584 2.8827659 ] [ 5.4842605 2.1938404 1.6301673 ] [ 4.4559226 1.3178832 3.5471983 ] [ 5.2982964 4.5761126 1.9890592 ] [ 3.4191877 3.3561972 1.0252547 ] [ 4.5220561 3.1788216 4.9091785 ] [ 3.3106249 4.4759416 3.3693592 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4065607e-10 2.2496584e-10 2.8827659e-10 ] [ 5.4842605e-10 2.1938404e-10 1.6301673e-10 ] [ 4.4559226e-10 1.3178832e-10 3.5471983e-10 ] [ 5.2982964e-10 4.5761126e-10 1.9890592e-10 ] [ 3.4191877e-10 3.3561972e-10 1.0252547e-10 ] [ 4.522056100000001e-10 3.1788216e-10 4.9091785e-10 ] [ 3.3106249e-10 4.4759416e-10 3.3693592e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.83e-05 1.33e-05 2.6e-06 ] [ -3.8e-06 -5.3e-06 2.35e-05 ] [ 1.52e-05 1.08e-05 -1.12e-05 ] [ 3.73e-05 -4.9e-06 2.96e-05 ] [ -4.31e-05 -4.9e-06 4.59e-05 ] [ -2.9e-06 -2.08e-05 -4.89e-05 ] [ -3.11e-05 1.18e-05 -4.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.53415987422e-14 2.13089492322e-14 4.165659248399999e-15 ] [ -6.088271209199999e-15 -8.4915361602e-15 3.765115089899999e-14 ] [ 2.43530848368e-14 1.73035076472e-14 -1.79443783008e-14 ] [ 5.97611884482e-14 -7.850665506599998e-15 4.74244283664e-14 ] [ -6.90538129254e-14 -7.850665506599998e-15 7.353990750059999e-14 ] [ -4.6463122386e-15 -3.332527398719999e-14 -7.834643740259999e-14 ] [ -4.982769331739999e-14 1.89056842812e-14 -6.649033031099999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.951751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517058252758614e-18 } }