{ "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" [ [ 1.1894084 -4.0522323 -3.5346437 ] [ -3.64618 3.6791988 2.9209274 ] [ -1.5431462 -1.9357294 2.7466175 ] [ 0.3022597 0.4878946 -2.5820496 ] [ 0.5720998 1.051612 1.1106523 ] [ 2.1568391 -1.3724043 -1.7264641 ] [ 0.9687191 2.1416606 1.0649602 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.905642331063135e-09 -6.492391853110612e-09 -5.663123498998009e-09 ] [ -5.841824351228544e-09 5.894726300635416e-09 4.67984159133413e-09 ] [ -2.472392764116361e-09 -3.101380388875212e-09 4.400566344780144e-09 ] [ 4.842734247500219e-10 7.816933215345677e-10 -4.136899502865992e-09 ] [ 9.166049243243559e-10 1.68486816055273e-09 1.779461148897748e-09 ] [ 3.455637180847313e-09 -2.198834083745389e-09 -2.766100417670513e-09 ] [ 1.552059094142418e-09 3.4313185430085e-09 1.706254334522492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.120823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.422622909785492e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.659229 0.5683723 2.5376184 ] [ 1.1065759 3.6623694 3.5890988 ] [ 2.062594 1.7382838 4.4382965 ] [ 3.8974419 3.7296927 1.2878221 ] [ 4.0890543 2.7897785 4.3366448 ] [ 4.604282 1.7996035 2.3425035 ] [ 3.1902408 4.6173828 3.300062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.659229e-10 5.683723e-11 2.5376184e-10 ] [ 1.1065759e-10 3.6623694e-10 3.5890988e-10 ] [ 2.062594e-10 1.7382838e-10 4.4382965e-10 ] [ 3.8974419e-10 3.7296927e-10 1.2878221e-10 ] [ 4.0890543e-10 2.7897785e-10 4.3366448e-10 ] [ 4.604282000000001e-10 1.7996035e-10 2.3425035e-10 ] [ 3.1902408e-10 4.6173828e-10 3.300062e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -1.26e-05 1.91e-05 ] [ -2.03e-05 4.14e-05 -3.77e-05 ] [ 4.55e-05 -1.05e-05 9.9e-06 ] [ -1.07e-05 1.48e-05 -2.89e-05 ] [ -1.54e-05 -4.11e-05 -2.02e-05 ] [ 4.7e-06 -3e-06 1.86e-05 ] [ -6.6e-06 1.1e-05 3.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 -2.018742542208e-14 3.060157345728e-14 ] [ -3.252418540224e-14 6.633011210111999e-14 -6.040205860416e-14 ] [ 7.28990362464e-14 -1.68228545184e-14 1.586154854592e-14 ] [ -1.714328984256e-14 2.371221398784e-14 -4.630290434112001e-14 ] [ -2.467351996032e-14 -6.584945911488e-14 -3.236396774016e-14 ] [ 7.53023011776e-15 -4.8065298624e-15 2.980048514688e-14 ] [ -1.057436569728e-14 1.76239428288e-14 6.280532353535999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }