{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.5213978 -8.7444458 -3.1049308 ] [ -15.1438284 3.8246147 2.6309528 ] [ -17.7690515 -12.2819108 -0.0279882 ] [ 8.661432 -3.8746777 0.4706255 ] [ 11.3011284 -6.8137176 4.0579791 ] [ 18.4992048 8.4653795 -3.8996403 ] [ 6.9725124 19.4247577 -0.126998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0061490980179e-08 -1.401014673803943e-08 -4.974647577946927e-09 ] [ -2.426308801178561e-08 6.127708306392919e-09 4.215251101316875e-09 ] [ -2.846915912164265e-08 -1.967779050463225e-08 -4.484204006771879e-11 ] [ 1.387714396737989e-08 -6.207918075220861e-09 7.540251794645669e-10 ] [ 1.81064038603138e-08 -1.091677912939456e-08 6.501599295280349e-09 ] [ 2.963899367814064e-08 1.35630332328426e-08 -6.24791256966475e-09 ] [ 1.117119644755526e-08 3.112189290805158e-08 -2.03473228164732e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.295652 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.969980633419537e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4800768 2.6415456 0.3805845 ] [ 1.6064871 5.0636303 1.2272778 ] [ 2.0041309 3.0052155 2.9452354 ] [ 5.020992 2.4469779 0.9374474 ] [ 4.565376 2.7951178 3.3925604 ] [ 4.1727452 4.8502357 0.381543 ] [ 3.6967871 5.2139012 2.9461903 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4800768e-10 2.6415456e-10 3.805845e-11 ] [ 1.6064871e-10 5.0636303e-10 1.2272778e-10 ] [ 2.0041309e-10 3.0052155e-10 2.9452354e-10 ] [ 5.020992e-10 2.4469779e-10 9.374474000000001e-11 ] [ 4.565376e-10 2.7951178e-10 3.3925604e-10 ] [ 4.1727452e-10 4.8502357e-10 3.815430000000001e-11 ] [ 3.6967871e-10 5.2139012e-10 2.9461903e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 -1.39e-05 -1.81e-05 ] [ -5.9e-05 2.31e-05 2.05e-05 ] [ -1.03e-05 -4.12e-05 1.02e-05 ] [ -4e-07 4.6e-06 1.8e-05 ] [ -7.5e-06 -9.9e-06 2.23e-05 ] [ 5.29e-05 1.62e-05 -6.35e-05 ] [ 2.89e-05 2.1e-05 1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.209794853e-15 -2.22702552126e-14 -2.899939707539999e-14 ] [ -9.452842140599998e-14 3.70102802454e-14 3.2844620997e-14 ] [ -1.65024193302e-14 -6.600967732079998e-14 1.63422016668e-14 ] [ -6.408706536e-16 7.370012516399999e-15 2.8839179412e-14 ] [ -1.2016324755e-14 -1.58615486766e-14 3.572853893819999e-14 ] [ 8.475514393859999e-14 2.59552614708e-14 -1.01738216259e-13 ] [ 4.63029047226e-14 3.364570931399999e-14 1.73035076472e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.010874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.846966128471812e-18 } }