{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4093812 -5.4468268 -0.9835858 ] [ -0.4372117 5.1686226 -0.8962278 ] [ 1.1579377 -3.1752496 1.6226496 ] [ -2.9084633 -3.9835991 -0.0907711 ] [ 0.7237955 0.2868581 -3.0261619 ] [ 0.0764502 5.6976646 1.7682586 ] [ 1.7968727 1.4525301 1.6058384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.559009876350489e-10 -8.726778556506878e-09 -1.575878173310864e-09 ] [ -7.004903640802233e-10 8.281046291458511e-09 -1.435915228071018e-09 ] [ 1.855220711282924e-09 -5.087310674324551e-09 2.599771252870471e-09 ] [ -4.659871901714817e-09 -6.382429344659921e-09 -1.454313342642989e-10 ] [ 1.159648228340246e-09 4.595973413071085e-10 -4.848445846935707e-09 ] [ 1.224867230954842e-10 9.128665015279784e-09 2.833062588448539e-09 ] [ 2.878907430493773e-09 2.327209767228286e-09 2.572836741262879e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.47425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.120118805761441e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5855227 2.576377 3.2623476 ] [ 2.675053 4.983253 3.1225465 ] [ 6.1064134 2.7494876 1.3404283 ] [ 3.6861258 2.5187936 1.0916089 ] [ 4.9117366 1.6489364 3.1242827 ] [ 4.6905204 4.6851485 1.7824213 ] [ 4.5950011 3.8474139 4.1208366 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5855227e-10 2.576377e-10 3.2623476e-10 ] [ 2.675053e-10 4.983253e-10 3.1225465e-10 ] [ 6.1064134e-10 2.7494876e-10 1.3404283e-10 ] [ 3.6861258e-10 2.5187936e-10 1.0916089e-10 ] [ 4.9117366e-10 1.6489364e-10 3.1242827e-10 ] [ 4.690520399999999e-10 4.685148500000001e-10 1.7824213e-10 ] [ 4.5950011e-10 3.8474139e-10 4.1208366e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 3.8e-06 1.1e-06 ] [ 0.0 -7e-07 -1.62e-05 ] [ 1.55e-05 -3e-06 -1.43e-05 ] [ 1e-07 1.17e-05 6.5e-06 ] [ -2.3e-06 -1.06e-05 6e-06 ] [ -1.83e-05 2.3e-06 1.8e-06 ] [ 7.1e-06 -3.5e-06 1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 6.08827115904e-15 1.76239428288e-15 ] [ 0.0 -1.12152363456e-15 -2.595526125696e-14 ] [ 2.48337376224e-14 -4.8065298624e-15 -2.291112567744e-14 ] [ 1.6021766208e-16 1.874546646336e-14 1.04141480352e-14 ] [ -3.68500622784e-15 -1.698307218048e-14 9.6130597248e-15 ] [ -2.931983216064e-14 3.68500622784e-15 2.88391791744e-15 ] [ 1.137545400768e-14 -5.6076181728e-15 2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.501501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.444920221430782e-18 } }