{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -30.3797247 -24.2153666 -10.3455887 ] [ 3.8156919 -59.56069 8.3751685 ] [ -0.3849802 -4.6378749 5.5618971 ] [ 0.8947146 1.026365 -2.1204452 ] [ 38.4081937 25.2550207 6.3887621 ] [ -29.434694 27.2239212 -57.7906341 ] [ 17.0807988 34.9086247 49.9308402 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.867368506169266e-08 -3.879729455026402e-08 -1.657546048011444e-08 ] [ 6.113412404723065e-09 -9.542674582291744e-08 1.341849927651283e-08 ] [ -6.168062809926468e-10 -7.430694796195086e-09 8.91114157433236e-09 ] [ 1.433490826218656e-09 1.64441802095541e-09 -3.397327753117456e-09 ] [ 6.153671050028599e-08 4.046300405672632e-08 1.023592535680477e-08 ] [ -4.715957895573999e-08 4.361753043249724e-08 -9.259080361906361e-08 ] [ 2.736645672741524e-08 5.592978281941525e-08 7.999802548442788e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.6515381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.646055753980755e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7816429 2.7601634 2.8263987 ] [ 4.9531369 1.2425379 1.6761698 ] [ 5.1763917 2.3099614 4.225698 ] [ 3.1786106 0.7435164 3.5484751 ] [ 5.9497248 3.747343 2.0481857 ] [ 3.5046073 3.3336925 0.9274566 ] [ 3.7278218 4.4010877 3.476984 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7816429e-10 2.7601634e-10 2.8263987e-10 ] [ 4.9531369e-10 1.2425379e-10 1.6761698e-10 ] [ 5.1763917e-10 2.3099614e-10 4.225698000000001e-10 ] [ 3.1786106e-10 7.435164e-11 3.5484751e-10 ] [ 5.9497248e-10 3.747343e-10 2.0481857e-10 ] [ 3.5046073e-10 3.3336925e-10 9.274566e-11 ] [ 3.7278218e-10 4.4010877e-10 3.476984e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 1.79e-05 -7.2e-06 ] [ 1.62e-05 7.5e-06 9e-06 ] [ -1.68e-05 9e-07 -4.54e-05 ] [ -1.09e-05 -2.26e-05 9.9e-06 ] [ -4.79e-05 1.13e-05 -1.6e-06 ] [ 3.07e-05 -2.58e-05 1.82e-05 ] [ 2.65e-05 1.08e-05 1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.685006258199999e-15 2.86789617486e-14 -1.15356717648e-14 ] [ 2.59552614708e-14 1.2016324755e-14 1.4419589706e-14 ] [ -2.691656745119999e-14 1.4419589706e-15 -7.273881918359998e-14 ] [ -1.74637253106e-14 -3.62091919284e-14 1.58615486766e-14 ] [ -7.674426076859999e-14 1.81045959642e-14 -2.5634826144e-15 ] [ 4.91868226638e-14 -4.133615715719999e-14 2.915961473879999e-14 ] [ 4.2457680801e-14 1.73035076472e-14 2.723700277799999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.900855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989556804762207e-18 } }