{ "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" [ [ -7.8482886 -4.5821818 0.4715008 ] [ 3.0893022 -2.3738327 -2.5171933 ] [ 2.5596157 -7.3913079 2.393745 ] [ 4.3657656 5.4378731 0.9415016 ] [ -3.267993 0.1092549 -8.6467326 ] [ 3.3341953 1.1718481 4.8893884 ] [ -2.2325972 7.6283463 2.4677901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.257434450821116e-08 -7.341464552215262e-09 7.554275584484967e-10 ] [ 4.949607759426006e-09 -3.80329925363054e-09 -4.032988255294401e-09 ] [ 4.100956432772627e-09 -1.184218071451435e-08 3.835202275156896e-09 ] [ 6.994727576212885e-09 8.71243314769722e-09 1.508451851965794e-09 ] [ -5.235901981538054e-09 1.750456464878419e-10 -1.38535928180292e-08 ] [ 5.341969758841242e-09 1.877507628948901e-09 7.833663784490717e-09 ] [ -3.577015037503542e-09 1.222195809722618e-08 3.953835603261695e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.034634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.729249233868479e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4067161 2.4788484 2.6730482 ] [ 5.5229163 1.9729164 1.5846322 ] [ 4.3725006 1.4540085 3.5279276 ] [ 5.1864072 4.364593 2.3091207 ] [ 3.6103795 3.2103357 0.8361282 ] [ 4.9426507 3.5010233 4.5013276 ] [ 2.8553386 4.3667297 3.9207984 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4067161e-10 2.4788484e-10 2.6730482e-10 ] [ 5.522916300000001e-10 1.9729164e-10 1.5846322e-10 ] [ 4.372500600000001e-10 1.4540085e-10 3.5279276e-10 ] [ 5.1864072e-10 4.364593e-10 2.3091207e-10 ] [ 3.6103795e-10 3.2103357e-10 8.361282e-11 ] [ 4.9426507e-10 3.5010233e-10 4.5013276e-10 ] [ 2.8553386e-10 4.3667297e-10 3.9207984e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.3e-06 2.39e-05 4e-07 ] [ 3.11e-05 -1.53e-05 -7.7e-06 ] [ 1.1e-06 -2e-06 2.9e-06 ] [ -4.61e-05 -4.38e-05 2.71e-05 ] [ 8.9e-06 1.8e-05 9.7e-06 ] [ -1.9e-05 2.94e-05 -4.71e-05 ] [ 1.85e-05 -1.02e-05 1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.491536090240001e-15 3.829202123712e-14 6.408706483200001e-16 ] [ 4.982769290688e-14 -2.451330229824e-14 -1.233675998016e-14 ] [ 1.76239428288e-15 -3.2043532416e-15 4.646312200320001e-15 ] [ -7.386034221888001e-14 -7.017533599104001e-14 4.341898642368e-14 ] [ 1.425937192512e-14 2.88391791744e-14 1.554111322176e-14 ] [ -3.04413557952e-14 4.710399265152e-14 -7.546251883968001e-14 ] [ 2.96402674848e-14 -1.634220153216e-14 2.355199632576e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }