{ "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" [ [ 3.7857912 -3.7362719 -1.9639424 ] [ -0.4135125 -2.4077569 9.4693561 ] [ -6.178212 1.4023792 -7.1440156 ] [ 3.1581233 6.2896235 -5.1630039 ] [ -6.1115298 -1.9326069 3.0024023 ] [ -2.4729447 2.4308618 -2.4213261 ] [ 8.2322844 -2.0462288 4.2205296 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.065506151870377e-09 -5.986167487131996e-09 -3.146582597877842e-09 ] [ -6.6252005990856e-10 -3.857651813749884e-09 1.517158095744987e-08 ] [ -9.898586824746012e-09 2.246859167736207e-09 -1.144597477295048e-08 ] [ 5.059871316863745e-09 1.007708772533427e-08 -8.272044141679221e-09 ] [ -9.791750162882499e-09 -3.096377592376764e-09 4.810378771296148e-09 ] [ -3.96209418287127e-09 3.894669944355806e-09 -3.879392068752843e-09 ] [ 1.318957360145655e-08 -3.27841994416764e-09 6.762033852514376e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.286018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.813660970152797e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2203351 2.3672018 2.2390939 ] [ 4.3312255 1.7638208 2.0272508 ] [ 5.4044939 2.1990573 3.9043411 ] [ 3.3060922 1.4665222 3.9574125 ] [ 5.6156187 3.5524712 2.1532248 ] [ 3.6477 3.6563918 1.1240468 ] [ 3.7464706 3.5328374 3.323998 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2203351e-10 2.3672018e-10 2.2390939e-10 ] [ 4.3312255e-10 1.7638208e-10 2.0272508e-10 ] [ 5.4044939e-10 2.1990573e-10 3.9043411e-10 ] [ 3.306092200000001e-10 1.4665222e-10 3.957412500000001e-10 ] [ 5.6156187e-10 3.5524712e-10 2.1532248e-10 ] [ 3.6477e-10 3.6563918e-10 1.1240468e-10 ] [ 3.7464706e-10 3.5328374e-10 3.323998e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.23e-05 4.76e-05 3.66e-05 ] [ -3.11e-05 5.36e-05 2.08e-05 ] [ -3.13e-05 1.06e-05 1.9e-05 ] [ 3.92e-05 3.2e-06 -2.31e-05 ] [ -2.71e-05 6.7e-06 2.12e-05 ] [ 8.2e-06 -2.98e-05 1.02e-05 ] [ 1.99e-05 -9.2e-05 -8.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.572853864384e-14 7.626360715008e-14 5.863966432128e-14 ] [ -4.982769290688e-14 8.587666687488e-14 3.332527371264e-14 ] [ -5.014812823104e-14 1.698307218048e-14 3.04413557952e-14 ] [ 6.280532353535999e-14 5.126965186560001e-15 -3.701027994048e-14 ] [ -4.341898642368e-14 1.073458335936e-14 3.396614436096001e-14 ] [ 1.313784829056e-14 -4.774486329984001e-14 1.634220153216e-14 ] [ 3.188331475392e-14 -1.474002491136e-13 -1.3554414211968e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }