{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4853624 -2.400042 -1.2569754 ] [ -3.488886 4.3039472 1.670387 ] [ -0.8727759 -2.7415184 1.9970076 ] [ 0.1201489 -0.229226 -1.5275441 ] [ 0.2239737 0.7277873 0.2109802 ] [ 0.7844557 -0.3917695 -1.6864836 ] [ 0.7477212 0.7308214 0.5926284 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.981989564302162e-09 -3.845291213018628e-09 -2.013896615392803e-09 ] [ -5.589811627889723e-09 6.895683637809724e-09 2.676255021137358e-09 ] [ -1.39834115369832e-09 -4.392396722161066e-09 3.199558914640418e-09 ] [ 1.924997601808026e-10 -3.67260541105284e-10 -2.447395464424559e-09 ] [ 3.588454287705258e-10 1.166043806581948e-09 3.380275466766468e-10 ] [ 1.256836592948114e-09 -6.276839388138629e-10 -2.702044617544202e-09 ] [ 1.197981435386441e-09 1.170904970707167e-09 9.494953751248057e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.748023005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.8435467759532e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1517496 1.7165529 1.6478068 ] [ 1.3333369 2.8996937 3.4366912 ] [ 2.706293 1.6260805 4.7643227 ] [ 3.8492566 3.3721771 1.3938272 ] [ 4.4037949 3.281698 4.5103398 ] [ 4.2028839 1.5210136 2.8860631 ] [ 2.962103 4.4882671 3.1929954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1517496e-10 1.7165529e-10 1.6478068e-10 ] [ 1.3333369e-10 2.8996937e-10 3.4366912e-10 ] [ 2.706293e-10 1.6260805e-10 4.764322700000001e-10 ] [ 3.8492566e-10 3.3721771e-10 1.3938272e-10 ] [ 4.4037949e-10 3.281698e-10 4.5103398e-10 ] [ 4.2028839e-10 1.5210136e-10 2.8860631e-10 ] [ 2.962103e-10 4.4882671e-10 3.1929954e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.26e-05 4.44e-05 3.9e-05 ] [ 1.04e-05 -8.1e-06 -3.49e-05 ] [ 7.5e-06 -1.4e-05 -2.12e-05 ] [ -1.19e-05 -1.11e-05 -2.1e-05 ] [ 5.48e-05 -2.5e-05 2.73e-05 ] [ -2.19e-05 3.2e-06 3.54e-05 ] [ -5.16e-05 1.06e-05 -2.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.01874255884e-14 7.11366425496e-14 6.248488872599999e-14 ] [ 1.66626369936e-14 -1.29776307354e-14 -5.59159645266e-14 ] [ 1.2016324755e-14 -2.243047287599999e-14 -3.39661446408e-14 ] [ -1.90659019446e-14 -1.77841606374e-14 -3.364570931399999e-14 ] [ 8.779927954319999e-14 -4.005441585e-14 4.37394221082e-14 ] [ -3.50876682846e-14 5.1269652288e-15 5.671705284359999e-14 ] [ -8.267231431439999e-14 1.69830723204e-14 -3.94135451964e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }