{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.4875936 -19.0638757 -1.7172926 ] [ -19.3448794 20.4780905 -14.6294246 ] [ -0.3013699 -2.9549679 17.6209464 ] [ -3.9278555 4.9094877 1.2401808 ] [ 6.6956607 -3.4043067 -2.3652714 ] [ 0.5026504 0.8871894 0.0924042 ] [ -1.1117998 -0.8516175 -0.2415428 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.801821361997171e-08 -3.054369594837724e-08 -2.751406054792846e-09 ] [ -3.099391350687554e-08 3.280951783772659e-08 -2.343892206987639e-08 ] [ -4.828478079928339e-10 -4.734380484594473e-09 2.823186835844993e-08 ] [ -6.293118251980695e-09 7.865866413045164e-09 1.986988683325041e-09 ] [ 1.072763103434936e-08 -5.454300604772798e-09 -3.789582538926886e-09 ] [ 8.053347193157685e-10 1.42143411490158e-09 1.480478489037274e-10 ] [ -1.781299646570116e-09 -1.364441648364144e-09 -3.869942270825703e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.847162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.898124597923017e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0998473 1.3371425 1.9206754 ] [ 1.2440051 3.2169958 2.1054122 ] [ 2.0923278 1.9881678 4.1532797 ] [ 2.7032805 5.1200314 2.9254174 ] [ 5.0994211 2.6928802 2.6869022 ] [ 3.5730339 3.7628048 0.9696861 ] [ 3.8438073 3.6762725 4.5704636 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0998473e-10 1.3371425e-10 1.9206754e-10 ] [ 1.2440051e-10 3.2169958e-10 2.1054122e-10 ] [ 2.0923278e-10 1.9881678e-10 4.1532797e-10 ] [ 2.7032805e-10 5.1200314e-10 2.925417400000001e-10 ] [ 5.0994211e-10 2.6928802e-10 2.6869022e-10 ] [ 3.5730339e-10 3.7628048e-10 9.696861e-11 ] [ 3.8438073e-10 3.6762725e-10 4.5704636e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.64e-05 -2.86e-05 3.8e-05 ] [ 3.12e-05 2.6e-05 1.51e-05 ] [ -3.6e-06 -2.26e-05 -4.23e-05 ] [ -3.56e-05 3.18e-05 -1.54e-05 ] [ 2.27e-05 -3e-07 2.9e-06 ] [ -1.09e-05 4.8e-06 1.71e-05 ] [ 1.26e-05 -1.11e-05 -1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.627569658112e-14 -4.582225135488e-14 6.08827115904e-14 ] [ 4.998791056896e-14 4.16565921408e-14 2.419286697408e-14 ] [ -5.76783583488e-15 -3.620919163008e-14 -6.777207105984e-14 ] [ -5.703748770048e-14 5.094921654144e-14 -2.467351996032e-14 ] [ 3.636940929216e-14 -4.8065298624e-16 4.646312200320001e-15 ] [ -1.746372516672e-14 7.69044777984e-15 2.739722021568e-14 ] [ 2.018742542208e-14 -1.778416049088e-14 -2.48337376224e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }