{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2656316 -4.7673047 -8.7090141 ] [ -8.7793118 -4.566457 6.8942763 ] [ -7.7976368 12.7936431 -4.4487513 ] [ 4.4400596 -1.084441 -2.8348456 ] [ 8.4670213 -12.3607988 5.6600251 ] [ 4.3265024 5.2325495 -2.4336278 ] [ 5.6089969 4.7528088 5.8719375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.00386484640657e-08 -7.638064134569958e-09 -1.395337878123755e-08 ] [ -1.406600811267357e-08 -7.316270645288505e-09 1.104584830519553e-08 ] [ -1.249319137844973e-08 2.049767586967924e-08 -7.127685324613607e-09 ] [ 7.113759686078599e-09 -1.737466016836973e-09 -4.541923343897749e-09 ] [ 1.356566357467562e-08 -1.98041828517727e-08 9.068359888361183e-09 ] [ 6.93182099511509e-09 8.38346847607873e-09 -3.899101564888938e-09 ] [ 8.986603699319676e-09 7.614839142492504e-09 9.4078809812988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8984427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.245993751468429e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0061225 2.5216054 1.9326405 ] [ 1.9461275 1.7457591 4.0859024 ] [ 2.1960297 4.7987984 2.0754795 ] [ 4.3407476 2.3552451 1.9702117 ] [ 4.2226566 1.9108942 4.2654605 ] [ 4.4460459 4.6400565 2.468312 ] [ 4.6756392 4.1156053 4.6851414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0061225e-10 2.5216054e-10 1.9326405e-10 ] [ 1.9461275e-10 1.7457591e-10 4.0859024e-10 ] [ 2.1960297e-10 4.7987984e-10 2.0754795e-10 ] [ 4.3407476e-10 2.3552451e-10 1.9702117e-10 ] [ 4.2226566e-10 1.9108942e-10 4.2654605e-10 ] [ 4.4460459e-10 4.6400565e-10 2.468312e-10 ] [ 4.6756392e-10 4.115605300000001e-10 4.6851414e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 4e-07 9.3e-06 ] [ -1.2e-06 -3.9e-05 2.68e-05 ] [ 3.8e-06 2.67e-05 -2.13e-05 ] [ 1.25e-05 -1.3e-05 -1.94e-05 ] [ -2.09e-05 -3.32e-05 1.36e-05 ] [ 1.46e-05 3.99e-05 3.9e-06 ] [ -1.2e-06 1.81e-05 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 6.408706483200001e-16 1.490024257344e-14 ] [ -1.92261194496e-15 -6.248488821120001e-14 4.293833343744e-14 ] [ 6.08827115904e-15 4.277811577536e-14 -3.412636202304e-14 ] [ 2.002720776e-14 -2.08282960704e-14 -3.108222644352e-14 ] [ -3.348549137472e-14 -5.319226381056e-14 2.178960204288e-14 ] [ 2.339177866368e-14 6.392684716992e-14 6.24848882112e-15 ] [ -1.92261194496e-15 2.899939683648e-14 -2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.403283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.307660328536609e-18 } }